#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 3.84 -0.17 -0.18 1.01 -1.26 -5.09 121.20 119.35 2khw s ILE 62 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 2khw s ILE 62 Cb 0.00 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 2khw s ILE 62 CO 0.00 0.52 -0.10 -0.89 0.00 0.00 0.00 174.94 174.46 2khw s THR 63 N 0.11 3.09 -0.09 2.92 2.01 -1.26 -5.11 115.64 117.32 2khw s THR 63 Ca -0.01 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.37 2khw s THR 63 Cb -0.14 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 2khw s THR 63 CO 0.03 0.49 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.00 2khw s PHE 64 N 0.85 2.88 1.02 4.92 0.08 -1.26 -5.10 117.98 121.37 2khw s PHE 64 Ca -0.03 -0.19 -0.18 0.00 0.12 0.00 0.00 56.93 56.65 2khw s PHE 64 Cb -0.15 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.53 2khw s PHE 64 CO 0.00 0.14 -0.26 -2.30 -0.10 0.00 0.00 175.22 172.71 2khw n PRO 65 N 2.71 -0.63 0.00 0.24 -0.02 -1.26 -4.78 135.00 131.25 2khw n PRO 65 Ca -0.18 -0.17 0.06 0.00 -2.02 0.00 0.00 63.50 61.20 2khw n PRO 65 Cb 0.53 -1.52 0.32 0.00 -0.02 0.00 0.00 33.50 32.81 2khw n PRO 65 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2khw n SER 66 N 0.19 0.00 0.00 2.55 3.41 -1.26 -2.16 113.62 116.35 2khw n SER 66 Ca 0.02 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2khw n SER 66 Cb 0.60 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2khw n SER 66 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2khw n ASP 67 N -1.11 1.57 -4.45 4.04 9.92 -1.26 -5.02 116.55 120.25 2khw n ASP 67 Ca 0.07 -1.75 -0.33 0.00 -0.53 0.00 0.00 54.79 52.25 2khw n ASP 67 Cb 0.06 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.41 2khw n ASP 67 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2khw s ILE 68 N -0.75 3.59 -0.12 0.53 -1.09 -0.92 -5.11 121.20 117.34 2khw s ILE 68 Ca 0.00 -0.46 -0.07 0.00 -2.23 0.00 0.00 60.65 57.89 2khw s ILE 68 Cb 0.00 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.28 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 0.42 6.35 0.01 3.58 -1.08 -1.26 -4.69 116.67 120.00 2khw s ASP 69 Ca -0.06 0.46 -0.22 0.00 -0.52 0.00 0.00 52.55 52.21 2khw s ASP 69 Cb -0.15 -2.05 -0.18 0.00 -1.46 0.00 0.00 42.92 39.09 2khw s ASP 69 CO 0.04 0.40 1.26 1.55 0.52 0.00 0.00 175.17 178.94 2khw h PRO 70 N 4.95 0.26 -0.81 4.34 0.13 -1.99 -2.47 132.00 136.42 2khw h PRO 70 Ca -0.55 -0.17 0.19 0.00 -0.87 0.00 0.00 66.00 64.61 2khw h PRO 70 Cb 1.23 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 2khw h PRO 70 CO 0.58 0.75 0.19 0.37 -0.23 0.00 0.00 178.00 179.66 2khw h GLN 71 N -0.19 0.23 0.08 0.86 5.75 -2.00 -0.09 115.11 119.74 2khw h GLN 71 Ca 0.00 -0.01 -0.25 0.00 -0.15 0.00 0.00 58.65 58.24 2khw h GLN 71 Cb 0.74 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 2khw h GLN 71 CO 0.04 0.15 -1.19 0.28 -2.65 0.00 0.00 178.83 175.45 2khw h VAL 72 N 0.23 1.53 0.43 2.39 2.07 -2.00 -3.28 116.25 117.63 2khw h VAL 72 Ca 0.48 -3.17 -0.02 0.00 0.82 0.00 0.00 66.70 64.81 2khw h VAL 72 Cb 0.89 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 2khw h VAL 72 CO -0.59 0.91 -0.21 0.15 0.02 0.00 0.00 177.57 177.85 2khw h PHE 73 N 0.04 -0.54 0.00 1.57 3.57 -0.56 -2.08 116.94 118.95 2khw h PHE 73 Ca -0.10 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2khw h PHE 73 Cb 1.90 0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.82 2khw h PHE 73 CO 0.04 -0.31 0.00 1.88 -2.23 0.00 0.00 178.31 177.69 2khw h TYR 74 N -0.62 0.00 -0.00 0.41 0.05 -1.40 0.58 116.97 116.00 2khw h TYR 74 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 2khw h TYR 74 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 2khw h TYR 74 CO -0.04 0.00 -0.04 0.39 -1.05 0.00 0.00 178.16 177.42 2khw n GLU 75 N -2.79 0.45 -3.34 4.88 1.02 -0.79 -4.82 120.64 115.25 2khw n GLU 75 Ca -0.02 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.76 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 -2.59 4.11 0.78 -4.62 1.43 0.19 -5.05 118.68 112.94 2khw s LEU 76 Ca 0.27 0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 54.12 2khw s LEU 76 Cb 0.20 -3.69 0.01 0.00 0.03 0.00 0.00 46.19 42.74 2khw s LEU 76 CO 0.48 -0.14 0.73 -0.81 0.23 0.00 0.00 176.35 176.84 2khw n PRO 77 N -0.44 0.20 -0.01 1.29 -0.04 -1.26 -4.72 135.00 130.02 2khw n PRO 77 Ca 0.00 0.12 -0.12 0.00 -0.04 0.00 0.00 63.50 63.47 2khw n PRO 77 Cb 0.53 -2.04 -0.07 0.00 -0.04 0.00 0.00 33.50 31.88 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 -0.69 0.12 -0.84 0.54 4.81 -1.96 0.24 114.58 116.79 2khw h GLU 78 Ca -0.46 -0.02 0.16 0.00 -0.13 0.00 0.00 59.36 58.91 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 0.42 0.25 0.40 0.00 -0.73 0.00 0.00 179.01 179.36 2khw h ALA 79 N 0.86 1.27 -0.02 2.92 0.00 -2.00 0.41 119.26 122.70 2khw h ALA 79 Ca 0.03 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 2khw h ALA 79 Cb 0.18 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2khw h ALA 79 CO -0.00 -0.18 -0.78 0.28 0.00 0.00 0.00 179.25 178.57 2khw h VAL 80 N 0.53 1.48 -0.07 0.00 2.07 -1.89 -2.85 116.25 115.53 2khw h VAL 80 Ca 0.48 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.56 2khw h VAL 80 Cb 0.75 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 2khw h VAL 80 CO -0.41 0.71 0.03 -0.61 0.02 0.00 0.00 177.57 177.31 2khw h GLN 81 N 0.10 0.06 -0.14 1.57 4.15 0.18 -1.23 115.11 119.80 2khw h GLN 81 Ca -0.03 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.41 2khw h GLN 81 Cb 1.36 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.02 2khw h GLN 81 CO 0.12 0.04 0.01 0.87 -1.93 0.00 0.00 178.83 177.94 2khw h LYS 82 N 0.07 0.06 -0.97 1.69 1.79 -0.53 -0.02 116.57 118.66 2khw h LYS 82 Ca 0.03 -0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.54 2khw h LYS 82 Cb 0.01 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 2khw h LYS 82 CO -0.02 0.04 0.63 0.93 -1.08 0.00 0.00 179.45 179.95 2khw h GLU 83 N 0.07 1.16 -0.19 3.15 5.08 -1.25 0.33 114.58 122.92 2khw h GLU 83 Ca 0.07 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 2khw h GLU 83 Cb 0.07 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2khw h GLU 83 CO -0.10 0.77 -0.65 -0.07 -1.00 0.00 0.00 179.01 177.96 2khw h LEU 84 N 1.19 0.80 -0.48 1.33 3.38 -0.73 -2.45 115.31 118.36 2khw h LEU 84 Ca 0.40 -0.47 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 2khw h LEU 84 Cb 0.06 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2khw h LEU 84 CO -0.13 1.24 -0.53 -0.07 0.09 0.00 0.00 178.44 179.04 2khw h LEU 85 N 0.51 0.71 -1.46 1.67 3.38 -0.41 -2.18 115.31 117.53 2khw h LEU 85 Ca -0.02 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 2khw h LEU 85 Cb 1.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2khw h LEU 85 CO 0.13 1.10 0.05 0.00 0.09 0.00 0.00 178.44 179.81 2khw h ALA 86 N 0.91 1.57 -0.12 1.53 0.00 -0.30 0.27 119.26 123.12 2khw h ALA 86 Ca 0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 2khw h ALA 86 Cb 1.09 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.76 2khw h ALA 86 CO 0.11 0.32 -0.79 1.49 0.00 0.00 0.00 179.25 180.38 2khw h GLU 87 N 0.39 0.65 0.00 0.00 4.22 -1.20 0.26 114.58 118.91 2khw h GLU 87 Ca 0.09 -0.55 0.00 0.00 0.08 0.00 0.00 59.36 58.98 2khw h GLU 87 Cb 0.19 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2khw h GLU 87 CO -0.00 1.17 0.00 0.91 -2.18 0.00 0.00 179.01 178.90 2khw n TRP 88 N -3.89 0.88 -0.08 0.92 8.01 -0.79 -2.80 117.44 119.69 2khw n TRP 88 Ca -0.07 0.29 -0.23 0.00 -1.31 0.00 0.00 57.50 56.19 2khw n TRP 88 Cb 0.75 -0.97 -0.12 0.00 -2.01 0.00 0.00 31.31 28.96 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 -2.25 0.63 -0.35 -0.99 5.02 0.87 -0.17 118.16 120.93 2khw n LYS 89 Ca 0.04 0.39 0.08 0.00 -2.02 0.00 0.00 58.31 56.80 2khw n LYS 89 Cb 0.35 -1.67 0.24 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.61 0.88 0.12 1.97 0.11 -0.51 -1.59 114.38 114.75 2khw h ARG 90 Ca -0.46 -0.05 -0.33 0.00 0.10 0.00 0.00 59.98 59.23 2khw h ARG 90 Cb 1.62 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 32.49 2khw h ARG 90 CO -0.16 0.58 -1.73 0.00 0.10 0.00 0.00 179.97 178.76 2khw h THR 91 N 0.91 0.92 0.00 0.08 1.03 -1.68 -3.51 112.91 110.66 2khw h THR 91 Ca 0.50 -2.60 0.00 0.00 -0.01 0.00 0.00 66.41 64.30 2khw h THR 91 Cb 0.55 2.64 0.00 0.00 -1.07 0.00 0.00 68.15 70.27 2khw h THR 91 CO -0.29 0.80 0.00 0.61 -0.01 0.00 0.00 175.52 176.63