#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 3.00 -0.19 3.15 1.01 -1.26 -5.11 121.20 121.81 2khw s ILE 62 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 2khw s ILE 62 Cb 0.00 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 2khw s ILE 62 CO 0.00 0.57 -0.10 -0.89 0.00 0.00 0.00 174.94 174.53 2khw s THR 63 N -0.39 3.05 -0.11 2.92 2.01 -1.26 -5.10 115.64 116.76 2khw s THR 63 Ca 0.04 -0.62 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 2khw s THR 63 Cb -0.12 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 2khw s THR 63 CO 0.02 0.47 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.02 2khw s PHE 64 N 1.11 3.02 1.02 4.92 0.08 -1.26 -5.09 117.98 121.77 2khw s PHE 64 Ca 0.01 -0.08 -0.17 0.00 0.12 0.00 0.00 56.93 56.81 2khw s PHE 64 Cb -0.14 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.47 2khw s PHE 64 CO -0.02 0.21 -0.23 -2.30 -0.10 0.00 0.00 175.22 172.78 2khw n PRO 65 N 2.73 -0.57 0.00 0.24 -0.02 -1.26 -4.78 135.00 131.34 2khw n PRO 65 Ca -0.18 -0.15 0.06 0.00 -2.02 0.00 0.00 63.50 61.21 2khw n PRO 65 Cb 0.53 -1.52 0.32 0.00 -0.02 0.00 0.00 33.50 32.80 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 0.22 0.00 0.00 2.55 7.64 -1.26 -2.17 113.62 120.60 2khw n SER 66 Ca 0.02 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2khw n SER 66 Cb 0.60 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 -1.11 1.65 -4.44 6.43 8.00 -1.26 -5.01 116.55 120.81 2khw n ASP 67 Ca 0.07 -1.81 -0.34 0.00 0.71 0.00 0.00 54.79 53.42 2khw n ASP 67 Cb 0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.81 3.67 -0.10 0.53 -1.09 -0.92 -5.10 121.20 117.38 2khw s ILE 68 Ca 0.00 -0.43 -0.09 0.00 -2.23 0.00 0.00 60.65 57.90 2khw s ILE 68 Cb 0.00 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 2khw s ILE 68 CO 0.00 0.48 0.21 -0.62 -1.23 0.00 0.00 174.94 173.77 2khw s ASP 69 N 0.63 6.47 0.12 3.58 -1.08 -1.26 -4.71 116.67 120.42 2khw s ASP 69 Ca -0.03 0.56 -0.13 0.00 -0.52 0.00 0.00 52.55 52.43 2khw s ASP 69 Cb -0.15 -2.12 -0.06 0.00 -1.46 0.00 0.00 42.92 39.14 2khw s ASP 69 CO 0.02 0.36 1.46 1.55 0.52 0.00 0.00 175.17 179.08 2khw h PRO 70 N 5.14 0.80 -0.73 4.34 0.13 -1.99 -2.27 132.00 137.43 2khw h PRO 70 Ca -0.52 -0.40 0.06 0.00 -0.87 0.00 0.00 66.00 64.27 2khw h PRO 70 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2khw h PRO 70 CO 0.61 1.03 0.42 0.37 -0.23 0.00 0.00 178.00 180.20 2khw h GLN 71 N 0.58 0.74 0.00 0.86 4.15 -2.00 -1.43 115.11 118.01 2khw h GLN 71 Ca 0.06 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.35 2khw h GLN 71 Cb 0.86 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 2khw h GLN 71 CO 0.07 0.49 -0.52 0.28 -1.93 0.00 0.00 178.83 177.22 2khw h VAL 72 N 0.76 0.69 0.20 2.39 2.07 -1.99 -3.29 116.25 117.08 2khw h VAL 72 Ca 0.33 -2.00 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 2khw h VAL 72 Cb 0.21 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2khw h VAL 72 CO -0.19 0.39 -0.10 0.15 0.02 0.00 0.00 177.57 177.85 2khw h PHE 73 N 0.00 -0.25 0.00 1.57 3.57 -0.73 -3.07 116.94 118.03 2khw h PHE 73 Ca -0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2khw h PHE 73 Cb 1.34 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.16 2khw h PHE 73 CO 0.00 0.15 0.04 1.88 -2.23 0.00 0.00 178.31 178.14 2khw h TYR 74 N -0.88 0.00 -0.00 0.41 0.05 -1.44 0.28 116.97 115.38 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 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 2khw h TYR 74 CO 0.07 0.00 -0.11 0.39 -1.05 0.00 0.00 178.16 177.46 2khw n GLU 75 N -2.54 0.53 -3.21 4.88 1.02 -1.16 -4.84 120.64 115.32 2khw n GLU 75 Ca -0.02 -0.16 -0.31 0.00 -0.02 0.00 0.00 57.16 56.65 2khw n GLU 75 Cb 0.08 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.58 4.06 0.74 -4.62 1.43 0.97 -5.04 118.68 113.64 2khw s LEU 76 Ca 0.26 1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 54.26 2khw s LEU 76 Cb 0.20 -3.86 -0.00 0.00 0.03 0.00 0.00 46.19 42.55 2khw s LEU 76 CO 0.49 -0.19 0.80 -0.81 0.23 0.00 0.00 176.35 176.88 2khw n PRO 77 N -0.52 0.38 0.09 1.29 -0.04 -1.26 -4.72 135.00 130.22 2khw n PRO 77 Ca 0.02 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 2khw n PRO 77 Cb 0.53 -2.08 -0.08 0.00 -0.04 0.00 0.00 33.50 31.83 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 -0.39 -0.18 -0.85 0.54 4.81 -1.96 0.92 114.58 117.48 2khw h GLU 78 Ca -0.46 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 58.97 2khw h GLU 78 Cb 1.33 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.64 2khw h GLU 78 CO 0.45 0.01 0.34 0.00 -0.73 0.00 0.00 179.01 179.08 2khw h ALA 79 N 0.51 1.28 -0.01 2.92 0.00 -2.00 0.56 119.26 122.52 2khw h ALA 79 Ca -0.02 0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 2khw h ALA 79 Cb 0.27 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2khw h ALA 79 CO 0.03 -0.30 -0.79 0.28 0.00 0.00 0.00 179.25 178.46 2khw h VAL 80 N 0.40 1.51 0.00 0.00 2.07 -1.88 -2.90 116.25 115.44 2khw h VAL 80 Ca 0.51 -2.55 -0.00 0.00 0.82 0.00 0.00 66.70 65.47 2khw h VAL 80 Cb 0.90 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2khw h VAL 80 CO -0.50 0.74 -0.00 -0.61 0.02 0.00 0.00 177.57 177.22 2khw h GLN 81 N 0.06 -0.00 -0.18 1.57 4.15 0.25 -1.60 115.11 119.36 2khw h GLN 81 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.42 2khw h GLN 81 Cb 1.39 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.06 2khw h GLN 81 CO 0.11 0.02 0.04 0.87 -1.93 0.00 0.00 178.83 177.95 2khw h LYS 82 N -0.03 0.12 -0.84 1.69 1.79 -0.59 -0.28 116.57 118.43 2khw h LYS 82 Ca -0.00 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 2khw h LYS 82 Cb 0.03 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 2khw h LYS 82 CO 0.00 0.08 0.51 0.93 -1.08 0.00 0.00 179.45 179.89 2khw h GLU 83 N 0.12 0.91 -0.29 3.15 5.08 -1.30 0.36 114.58 122.61 2khw h GLU 83 Ca 0.08 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.22 2khw h GLU 83 Cb 0.07 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2khw h GLU 83 CO -0.10 0.60 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.96 2khw h LEU 84 N 0.94 0.86 -0.44 1.33 3.38 -0.84 -2.50 115.31 118.04 2khw h LEU 84 Ca 0.37 -0.43 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 2khw h LEU 84 Cb 0.17 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2khw h LEU 84 CO -0.17 1.20 -0.48 -0.07 0.09 0.00 0.00 178.44 179.01 2khw h LEU 85 N 0.62 0.83 -1.81 1.67 3.38 -0.41 -2.36 115.31 117.23 2khw h LEU 85 Ca 0.03 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 2khw h LEU 85 Cb 1.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2khw h LEU 85 CO 0.11 1.18 0.07 0.00 0.09 0.00 0.00 178.44 179.88 2khw h ALA 86 N 0.85 1.86 -0.17 1.53 0.00 -0.23 0.53 119.26 123.63 2khw h ALA 86 Ca 0.03 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2khw h ALA 86 Cb 1.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2khw h ALA 86 CO 0.10 0.12 -0.48 1.49 0.00 0.00 0.00 179.25 180.49 2khw h GLU 87 N 0.19 0.63 0.00 0.00 4.81 -1.09 0.24 114.58 119.36 2khw h GLU 87 Ca 0.05 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2khw h GLU 87 Cb 0.02 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2khw h GLU 87 CO -0.01 1.07 0.00 0.91 -0.73 0.00 0.00 179.01 180.25 2khw n TRP 88 N -4.19 0.71 -0.08 0.92 8.01 -0.69 -2.90 117.44 119.22 2khw n TRP 88 Ca -0.07 0.26 -0.23 0.00 -1.31 0.00 0.00 57.50 56.15 2khw n TRP 88 Cb 0.58 -0.92 -0.12 0.00 -2.01 0.00 0.00 31.31 28.85 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 -2.13 0.63 -0.32 -0.99 5.02 0.09 -0.05 118.16 120.42 2khw n LYS 89 Ca 0.03 0.39 0.11 0.00 -2.02 0.00 0.00 58.31 56.83 2khw n LYS 89 Cb 0.28 -1.67 0.32 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 0.78 0.07 1.97 0.11 -0.95 -1.95 114.38 113.81 2khw h ARG 90 Ca -0.46 -0.05 -0.35 0.00 0.10 0.00 0.00 59.98 59.23 2khw h ARG 90 Cb 1.62 -0.18 -0.03 0.00 1.11 0.00 0.00 29.97 32.49 2khw h ARG 90 CO -0.16 0.51 -1.96 -2.37 0.10 0.00 0.00 179.97 176.10 2khw n THR 91 N -4.63 1.70 0.45 0.08 5.66 -1.14 -5.12 114.28 111.28 2khw n THR 91 Ca 0.20 -0.70 0.04 0.00 -3.05 0.00 0.00 64.05 60.53 2khw n THR 91 Cb 0.47 -1.45 0.22 0.00 -1.55 0.00 0.00 70.33 68.02 2khw n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63