#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 2.32 -0.14 0.58 1.01 -1.26 -5.12 121.20 118.59 2khw s ILE 62 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.67 2khw s ILE 62 Cb 0.00 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 2khw s ILE 62 CO 0.00 0.57 -0.15 -0.89 0.00 0.00 0.00 174.94 174.47 2khw s THR 63 N -0.39 2.74 -0.07 2.92 2.01 -1.26 -5.12 115.64 116.47 2khw s THR 63 Ca 0.03 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.30 2khw s THR 63 Cb -0.12 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 2khw s THR 63 CO 0.02 0.52 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.96 2khw s PHE 64 N 0.61 2.72 1.03 4.92 0.08 -1.26 -5.11 117.98 120.97 2khw s PHE 64 Ca -0.09 -0.31 -0.18 0.00 0.12 0.00 0.00 56.93 56.47 2khw s PHE 64 Cb -0.16 -1.69 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2khw s PHE 64 CO 0.03 0.07 -0.31 -2.30 -0.10 0.00 0.00 175.22 172.61 2khw n PRO 65 N 2.66 -0.63 0.00 0.24 -0.02 -1.26 -4.78 135.00 131.20 2khw n PRO 65 Ca -0.17 -0.16 0.07 0.00 -2.02 0.00 0.00 63.50 61.21 2khw n PRO 65 Cb 0.52 -1.49 0.39 0.00 -0.02 0.00 0.00 33.50 32.90 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 0.32 0.00 0.00 2.55 2.88 -1.26 -2.14 113.62 115.97 2khw n SER 66 Ca 0.01 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2khw n SER 66 Cb 0.61 -0.14 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 -1.14 1.49 -4.49 -3.46 8.00 -1.26 -5.00 116.55 110.69 2khw n ASP 67 Ca 0.09 -1.54 -0.34 0.00 0.71 0.00 0.00 54.79 53.71 2khw n ASP 67 Cb 0.08 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.06 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 -0.54 3.80 -0.16 0.53 -1.09 -0.91 -5.10 121.20 117.73 2khw s ILE 68 Ca 0.00 -0.39 -0.08 0.00 -2.23 0.00 0.00 60.65 57.95 2khw s ILE 68 Cb 0.00 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 38.18 2khw s ILE 68 CO 0.00 0.50 0.12 -0.62 -1.23 0.00 0.00 174.94 173.71 2khw s ASP 69 N 0.30 6.16 0.09 3.58 -1.08 -1.26 -4.65 116.67 119.81 2khw s ASP 69 Ca -0.04 0.30 -0.18 0.00 -0.52 0.00 0.00 52.55 52.11 2khw s ASP 69 Cb -0.14 -2.03 -0.07 0.00 -1.46 0.00 0.00 42.92 39.22 2khw s ASP 69 CO 0.03 0.28 1.54 1.55 0.52 0.00 0.00 175.17 179.09 2khw h PRO 70 N 5.91 0.49 -0.76 4.34 0.13 -1.98 -2.14 132.00 137.99 2khw h PRO 70 Ca -0.47 -0.15 0.16 0.00 -0.87 0.00 0.00 66.00 64.67 2khw h PRO 70 Cb 1.19 -0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 2khw h PRO 70 CO 0.67 0.63 0.26 0.37 -0.23 0.00 0.00 178.00 179.71 2khw h GLN 71 N 0.28 0.36 0.00 0.86 4.15 -2.00 0.44 115.11 119.20 2khw h GLN 71 Ca 0.08 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.34 2khw h GLN 71 Cb 0.41 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 2khw h GLN 71 CO 0.01 0.24 -0.66 0.28 -1.93 0.00 0.00 178.83 176.77 2khw h VAL 72 N 0.37 1.10 0.09 2.39 2.07 -1.98 -3.25 116.25 117.04 2khw h VAL 72 Ca 0.43 -2.55 -0.00 0.00 0.82 0.00 0.00 66.70 65.39 2khw h VAL 72 Cb 0.71 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2khw h VAL 72 CO -0.46 0.62 -0.05 0.15 0.02 0.00 0.00 177.57 177.86 2khw h PHE 73 N 0.00 -0.12 0.00 1.57 3.57 -0.30 -2.89 116.94 118.77 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 1.50 0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.28 2khw h PHE 73 CO 0.00 0.30 0.00 1.88 -2.23 0.00 0.00 178.31 178.26 2khw h TYR 74 N -0.58 0.00 -0.00 0.41 0.05 -1.17 0.46 116.97 116.14 2khw h TYR 74 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 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 0.07 0.00 -0.03 0.39 -1.05 0.00 0.00 178.16 177.54 2khw n GLU 75 N -2.68 0.35 -3.24 4.88 1.02 -1.09 -4.82 120.64 115.05 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 -0.05 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.67 4.06 0.80 -4.62 1.43 0.15 -5.05 118.68 112.78 2khw s LEU 76 Ca 0.25 1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 54.20 2khw s LEU 76 Cb 0.20 -3.80 0.03 0.00 0.03 0.00 0.00 46.19 42.64 2khw s LEU 76 CO 0.49 -0.19 0.82 -0.81 0.23 0.00 0.00 176.35 176.89 2khw n PRO 77 N -0.55 0.17 0.06 1.29 -0.04 -1.26 -4.72 135.00 129.94 2khw n PRO 77 Ca 0.01 0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.46 2khw n PRO 77 Cb 0.53 -2.12 -0.08 0.00 -0.04 0.00 0.00 33.50 31.80 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 -0.78 -0.09 -0.85 0.54 4.81 -1.96 0.59 114.58 116.84 2khw h GLU 78 Ca -0.46 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 58.96 2khw h GLU 78 Cb 1.32 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 30.61 2khw h GLU 78 CO 0.43 0.10 0.39 0.00 -0.73 0.00 0.00 179.01 179.19 2khw h ALA 79 N 0.66 1.30 -0.00 2.92 0.00 -2.00 0.48 119.26 122.61 2khw h ALA 79 Ca -0.01 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 2khw h ALA 79 Cb 0.23 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2khw h ALA 79 CO 0.02 -0.22 -0.77 0.28 0.00 0.00 0.00 179.25 178.55 2khw h VAL 80 N 0.49 1.53 0.16 0.00 2.07 -1.89 -2.90 116.25 115.71 2khw h VAL 80 Ca 0.49 -2.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.44 2khw h VAL 80 Cb 0.82 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 2khw h VAL 80 CO -0.44 0.74 -0.08 -0.61 0.02 0.00 0.00 177.57 177.20 2khw h GLN 81 N 0.03 -0.20 -0.34 1.57 4.15 0.22 -1.47 115.11 119.07 2khw h GLN 81 Ca -0.01 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.46 2khw h GLN 81 Cb 1.36 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 29.06 2khw h GLN 81 CO 0.11 -0.11 0.11 0.87 -1.93 0.00 0.00 178.83 177.88 2khw h LYS 82 N -0.24 0.24 -0.98 1.69 1.79 -0.71 -0.40 116.57 117.96 2khw h LYS 82 Ca -0.02 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.46 2khw h LYS 82 Cb 0.19 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 2khw h LYS 82 CO 0.04 0.16 0.64 0.93 -1.08 0.00 0.00 179.45 180.14 2khw h GLU 83 N 0.25 1.24 -0.13 3.15 5.08 -1.29 0.30 114.58 123.18 2khw h GLU 83 Ca 0.15 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 2khw h GLU 83 Cb 0.13 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2khw h GLU 83 CO -0.17 0.82 -0.64 -0.07 -1.00 0.00 0.00 179.01 177.95 2khw h LEU 84 N 1.28 0.56 -0.43 1.33 3.38 -0.74 -2.42 115.31 118.26 2khw h LEU 84 Ca 0.38 -0.33 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 2khw h LEU 84 Cb -0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2khw h LEU 84 CO -0.10 1.05 -0.57 -0.07 0.09 0.00 0.00 178.44 178.84 2khw h LEU 85 N 0.35 0.74 -1.38 1.67 3.38 -0.48 -2.11 115.31 117.48 2khw h LEU 85 Ca -0.01 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 2khw h LEU 85 Cb 1.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2khw h LEU 85 CO 0.12 1.15 0.05 0.00 0.09 0.00 0.00 178.44 179.84 2khw h ALA 86 N 0.86 1.51 -0.16 1.53 0.00 -0.32 0.14 119.26 122.82 2khw h ALA 86 Ca 0.01 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 2khw h ALA 86 Cb 1.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2khw h ALA 86 CO 0.11 0.36 -0.69 1.49 0.00 0.00 0.00 179.25 180.53 2khw h GLU 87 N 0.45 0.66 0.00 0.00 4.57 -1.23 0.37 114.58 119.41 2khw h GLU 87 Ca 0.10 -0.49 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 2khw h GLU 87 Cb 0.22 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2khw h GLU 87 CO 0.00 1.11 0.00 0.91 -1.18 0.00 0.00 179.01 179.85 2khw n TRP 88 N -3.92 0.65 -0.09 0.92 8.01 -0.77 -2.87 117.44 119.37 2khw n TRP 88 Ca -0.05 0.22 -0.23 0.00 -1.31 0.00 0.00 57.50 56.13 2khw n TRP 88 Cb 0.69 -0.85 -0.12 0.00 -2.01 0.00 0.00 31.31 29.02 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 -2.06 0.62 -0.34 -0.99 5.02 0.41 -0.02 118.16 120.81 2khw n LYS 89 Ca 0.04 0.41 0.08 0.00 -2.02 0.00 0.00 58.31 56.83 2khw n LYS 89 Cb 0.31 -1.68 0.27 0.00 -0.02 0.00 0.00 35.03 33.91 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 -0.67 0.91 0.11 1.97 0.11 -0.96 -1.74 114.38 114.12 2khw h ARG 90 Ca -0.45 -0.05 -0.33 0.00 0.10 0.00 0.00 59.98 59.24 2khw h ARG 90 Cb 1.58 -0.21 -0.02 0.00 1.11 0.00 0.00 29.97 32.44 2khw h ARG 90 CO -0.17 0.60 -1.77 0.00 0.10 0.00 0.00 179.97 178.73 2khw h THR 91 N 0.94 0.87 0.00 0.08 1.03 -1.68 -3.52 112.91 110.63 2khw h THR 91 Ca 0.49 -2.56 0.00 0.00 -0.01 0.00 0.00 66.41 64.32 2khw h THR 91 Cb 0.52 2.61 0.00 0.00 -1.07 0.00 0.00 68.15 70.21 2khw h THR 91 CO -0.25 0.80 0.00 0.61 -0.01 0.00 0.00 175.52 176.67