#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 3.16 -0.15 3.15 1.01 -1.26 -5.10 121.20 122.01 2khw s ILE 62 Ca 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 2khw s ILE 62 Cb 0.00 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 2khw s ILE 62 CO 0.00 0.52 -0.13 -0.89 0.00 0.00 0.00 174.94 174.44 2khw s THR 63 N 0.32 2.94 -0.10 2.92 2.01 -1.26 -5.11 115.64 117.36 2khw s THR 63 Ca -0.10 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 2khw s THR 63 Cb -0.16 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 2khw s THR 63 CO 0.05 0.51 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.06 2khw s PHE 64 N 0.61 2.92 1.02 4.92 0.08 -1.26 -5.10 117.98 121.17 2khw s PHE 64 Ca -0.08 -0.21 -0.18 0.00 0.12 0.00 0.00 56.93 56.58 2khw s PHE 64 Cb -0.16 -1.80 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 2khw s PHE 64 CO 0.03 0.11 -0.27 -2.30 -0.10 0.00 0.00 175.22 172.69 2khw n PRO 65 N 2.85 -0.63 0.00 0.24 -0.02 -1.26 -4.78 135.00 131.41 2khw n PRO 65 Ca -0.18 -0.16 0.06 0.00 -2.02 0.00 0.00 63.50 61.20 2khw n PRO 65 Cb 0.53 -1.51 0.34 0.00 -0.02 0.00 0.00 33.50 32.84 2khw n PRO 65 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2khw n SER 66 N 0.22 0.00 0.00 2.55 2.88 -1.26 -2.10 113.62 115.91 2khw n SER 66 Ca 0.02 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2khw n SER 66 Cb 0.61 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2khw n SER 66 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2khw n ASP 67 N -1.13 1.54 -4.49 -3.46 8.00 -1.26 -5.00 116.55 110.75 2khw n ASP 67 Ca 0.08 -1.61 -0.34 0.00 0.71 0.00 0.00 54.79 53.62 2khw n ASP 67 Cb 0.07 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.61 3.95 -0.11 0.53 -1.09 -0.89 -5.10 121.20 117.87 2khw s ILE 68 Ca 0.00 -0.33 -0.07 0.00 -2.23 0.00 0.00 60.65 58.02 2khw s ILE 68 Cb 0.00 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 38.09 2khw s ILE 68 CO 0.00 0.47 0.16 -0.62 -1.23 0.00 0.00 174.94 173.72 2khw s ASP 69 N 0.57 6.42 -0.01 3.58 -1.08 -1.26 -4.68 116.67 120.20 2khw s ASP 69 Ca -0.02 0.50 -0.24 0.00 -0.52 0.00 0.00 52.55 52.27 2khw s ASP 69 Cb -0.14 -2.08 -0.19 0.00 -1.46 0.00 0.00 42.92 39.05 2khw s ASP 69 CO 0.02 0.40 1.25 1.55 0.52 0.00 0.00 175.17 178.91 2khw h PRO 70 N 4.95 0.12 -0.83 4.34 0.13 -1.98 -2.47 132.00 136.26 2khw h PRO 70 Ca -0.55 -0.07 0.20 0.00 -0.87 0.00 0.00 66.00 64.71 2khw h PRO 70 Cb 1.23 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 2khw h PRO 70 CO 0.58 0.62 0.28 0.37 -0.23 0.00 0.00 178.00 179.62 2khw h GLN 71 N -0.38 0.32 0.00 0.86 4.15 -2.00 0.23 115.11 118.29 2khw h GLN 71 Ca 0.00 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 2khw h GLN 71 Cb 0.61 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 2khw h GLN 71 CO 0.01 0.21 -0.37 0.28 -1.93 0.00 0.00 178.83 177.03 2khw h VAL 72 N 0.33 0.59 0.12 2.39 2.07 -1.99 -3.28 116.25 116.48 2khw h VAL 72 Ca 0.50 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 2khw h VAL 72 Cb 0.91 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2khw h VAL 72 CO -0.54 0.34 -0.06 0.15 0.02 0.00 0.00 177.57 177.48 2khw h PHE 73 N 0.00 -0.15 0.00 1.57 3.57 -0.10 -3.12 116.94 118.71 2khw h PHE 73 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2khw h PHE 73 Cb 1.27 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2khw h PHE 73 CO 0.00 0.33 0.00 1.88 -2.23 0.00 0.00 178.31 178.29 2khw h TYR 74 N -0.77 0.00 -0.00 0.41 0.05 -1.38 0.04 116.97 115.32 2khw h TYR 74 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2khw h TYR 74 Cb 0.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.29 2khw h TYR 74 CO 0.10 0.00 -0.05 0.39 -1.05 0.00 0.00 178.16 177.55 2khw n GLU 75 N -2.67 0.29 -3.25 4.88 1.02 -1.18 -4.82 120.64 114.91 2khw n GLU 75 Ca -0.01 -0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.79 2khw n GLU 75 Cb 0.11 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.99 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 -2.73 4.06 0.77 -4.62 1.43 -0.00 -5.05 118.68 112.53 2khw s LEU 76 Ca 0.23 0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 54.11 2khw s LEU 76 Cb 0.20 -3.74 0.02 0.00 0.03 0.00 0.00 46.19 42.70 2khw s LEU 76 CO 0.50 -0.19 0.93 -0.81 0.23 0.00 0.00 176.35 177.01 2khw n PRO 77 N -0.64 0.32 -0.01 1.29 -0.04 -1.26 -4.74 135.00 129.93 2khw n PRO 77 Ca 0.01 0.17 -0.12 0.00 -0.04 0.00 0.00 63.50 63.52 2khw n PRO 77 Cb 0.53 -2.20 -0.06 0.00 -0.04 0.00 0.00 33.50 31.72 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 -0.56 0.12 -0.76 0.54 4.81 -1.96 0.63 114.58 117.39 2khw h GLU 78 Ca -0.46 -0.02 0.16 0.00 -0.13 0.00 0.00 59.36 58.90 2khw h GLU 78 Cb 1.32 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.58 2khw h GLU 78 CO 0.45 0.23 0.26 0.00 -0.73 0.00 0.00 179.01 179.22 2khw h ALA 79 N 0.88 1.05 0.00 2.92 0.00 -2.00 0.50 119.26 122.61 2khw h ALA 79 Ca 0.03 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2khw h ALA 79 Cb 0.15 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2khw h ALA 79 CO -0.00 -0.27 -0.73 0.28 0.00 0.00 0.00 179.25 178.52 2khw h VAL 80 N 0.37 1.52 0.16 0.00 2.07 -1.89 -2.86 116.25 115.62 2khw h VAL 80 Ca 0.43 -2.52 -0.01 0.00 0.82 0.00 0.00 66.70 65.42 2khw h VAL 80 Cb 0.70 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2khw h VAL 80 CO -0.45 0.72 -0.07 -0.61 0.02 0.00 0.00 177.57 177.17 2khw h GLN 81 N 0.00 -0.20 -0.22 1.57 4.15 0.22 -1.95 115.11 118.69 2khw h GLN 81 Ca -0.01 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.46 2khw h GLN 81 Cb 1.30 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 29.00 2khw h GLN 81 CO 0.10 -0.07 0.01 0.87 -1.93 0.00 0.00 178.83 177.80 2khw h LYS 82 N -0.29 0.08 -0.85 1.69 1.79 -0.42 -0.38 116.57 118.20 2khw h LYS 82 Ca -0.02 -0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.53 2khw h LYS 82 Cb 0.22 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.80 2khw h LYS 82 CO 0.04 0.05 0.55 0.93 -1.08 0.00 0.00 179.45 179.94 2khw h GLU 83 N 0.08 0.85 -0.05 3.15 5.08 -1.35 0.32 114.58 122.66 2khw h GLU 83 Ca 0.10 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 2khw h GLU 83 Cb 0.12 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2khw h GLU 83 CO -0.16 0.56 -0.87 -0.07 -1.00 0.00 0.00 179.01 177.47 2khw h LEU 84 N 0.87 0.65 -0.32 1.33 3.38 -0.65 -2.35 115.31 118.23 2khw h LEU 84 Ca 0.38 -0.48 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 2khw h LEU 84 Cb 0.33 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2khw h LEU 84 CO -0.15 1.26 -0.52 -0.07 0.09 0.00 0.00 178.44 179.06 2khw h LEU 85 N 0.33 0.97 -1.42 1.67 3.38 -0.25 -2.04 115.31 117.95 2khw h LEU 85 Ca -0.07 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.36 2khw h LEU 85 Cb 1.49 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2khw h LEU 85 CO 0.16 1.31 0.07 0.00 0.09 0.00 0.00 178.44 180.07 2khw h ALA 86 N 0.72 1.54 -0.29 1.53 0.00 -0.40 0.80 119.26 123.16 2khw h ALA 86 Ca 0.02 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2khw h ALA 86 Cb 1.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2khw h ALA 86 CO 0.12 0.35 -0.47 1.49 0.00 0.00 0.00 179.25 180.74 2khw h GLU 87 N 0.45 0.76 0.00 0.00 4.81 -1.19 -0.45 114.58 118.96 2khw h GLU 87 Ca 0.11 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2khw h GLU 87 Cb 0.19 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2khw h GLU 87 CO -0.00 1.06 0.00 0.91 -0.73 0.00 0.00 179.01 180.25 2khw n TRP 88 N -4.02 0.32 -0.07 0.92 8.01 -0.69 -2.92 117.44 119.00 2khw n TRP 88 Ca -0.03 0.10 -0.22 0.00 -1.31 0.00 0.00 57.50 56.04 2khw n TRP 88 Cb 0.57 -0.67 -0.12 0.00 -2.01 0.00 0.00 31.31 29.08 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 0.64 -0.36 -0.99 5.02 0.19 -0.05 118.16 120.84 2khw n LYS 89 Ca 0.05 0.44 0.04 0.00 -2.02 0.00 0.00 58.31 56.82 2khw n LYS 89 Cb 0.31 -1.72 0.20 0.00 -0.02 0.00 0.00 35.03 33.81 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 -0.59 1.08 0.10 1.97 0.11 -1.12 -2.67 114.38 113.26 2khw h ARG 90 Ca -0.40 -0.07 -0.35 0.00 0.10 0.00 0.00 59.98 59.27 2khw h ARG 90 Cb 1.60 -0.24 -0.02 0.00 1.11 0.00 0.00 29.97 32.41 2khw h ARG 90 CO -0.11 0.72 -1.92 -2.37 0.10 0.00 0.00 179.97 176.39 2khw n THR 91 N -4.52 1.75 1.54 0.08 5.66 -1.15 -5.12 114.28 112.51 2khw n THR 91 Ca 0.16 -0.69 0.12 0.00 -3.05 0.00 0.00 64.05 60.59 2khw n THR 91 Cb 0.23 -1.58 0.73 0.00 -1.55 0.00 0.00 70.33 68.16 2khw n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63