#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 4.15 -0.14 -0.18 1.01 -1.26 -5.10 121.20 119.68 2khw s ILE 62 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2khw s ILE 62 Cb 0.00 -2.79 -0.00 0.00 0.01 0.00 0.00 42.46 39.68 2khw s ILE 62 CO 0.00 0.54 -0.17 -0.89 0.00 0.00 0.00 174.94 174.42 2khw s THR 63 N -0.21 2.53 -0.09 2.92 2.01 -1.26 -5.11 115.64 116.42 2khw s THR 63 Ca 0.05 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.23 2khw s THR 63 Cb -0.13 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 2khw s THR 63 CO 0.02 0.53 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.00 2khw s PHE 64 N 0.71 2.80 1.03 4.92 0.08 -1.26 -5.10 117.98 121.16 2khw s PHE 64 Ca -0.08 -0.35 -0.18 0.00 0.12 0.00 0.00 56.93 56.44 2khw s PHE 64 Cb -0.16 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.53 2khw s PHE 64 CO 0.01 0.02 -0.27 -2.30 -0.10 0.00 0.00 175.22 172.58 2khw n PRO 65 N 2.89 -0.67 0.14 0.24 -0.02 -1.26 -4.77 135.00 131.55 2khw n PRO 65 Ca -0.18 -0.18 0.11 0.00 -2.02 0.00 0.00 63.50 61.24 2khw n PRO 65 Cb 0.52 -1.52 0.53 0.00 -0.02 0.00 0.00 33.50 33.02 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 0.15 0.62 -0.75 2.55 2.88 -1.26 -1.90 113.62 115.92 2khw n SER 66 Ca 0.02 0.71 0.07 0.00 -1.33 0.00 0.00 58.87 58.33 2khw n SER 66 Cb 0.61 -0.82 0.17 0.00 -0.75 0.00 0.00 64.21 63.42 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 -2.25 2.98 -4.42 -3.46 9.92 -1.26 -4.95 116.55 113.11 2khw n ASP 67 Ca 0.01 -1.93 -0.33 0.00 -0.53 0.00 0.00 54.79 52.00 2khw n ASP 67 Cb 0.15 -0.24 -0.13 0.00 -0.64 0.00 0.00 41.12 40.25 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 -1.02 3.38 -0.13 0.53 -1.09 -0.80 -5.11 121.20 116.97 2khw s ILE 68 Ca 0.26 -0.54 -0.08 0.00 -2.23 0.00 0.00 60.65 58.07 2khw s ILE 68 Cb 0.14 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 2khw s ILE 68 CO 0.19 0.51 0.15 -0.62 -1.23 0.00 0.00 174.94 173.94 2khw s ASP 69 N 0.40 6.38 0.02 3.58 -1.08 -1.26 -4.65 116.67 120.06 2khw s ASP 69 Ca -0.08 0.46 -0.21 0.00 -0.52 0.00 0.00 52.55 52.20 2khw s ASP 69 Cb -0.15 -2.08 -0.16 0.00 -1.46 0.00 0.00 42.92 39.07 2khw s ASP 69 CO 0.04 0.38 1.29 1.55 0.52 0.00 0.00 175.17 178.95 2khw h PRO 70 N 5.20 0.31 -0.75 4.34 0.13 -1.98 -2.63 132.00 136.62 2khw h PRO 70 Ca -0.53 -0.18 0.14 0.00 -0.87 0.00 0.00 66.00 64.56 2khw h PRO 70 Cb 1.22 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 2khw h PRO 70 CO 0.61 0.75 0.28 0.37 -0.23 0.00 0.00 178.00 179.77 2khw h GLN 71 N -0.12 0.39 0.00 0.86 4.15 -2.00 0.46 115.11 118.86 2khw h GLN 71 Ca 0.01 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 2khw h GLN 71 Cb 0.72 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2khw h GLN 71 CO 0.04 0.26 -0.39 0.28 -1.93 0.00 0.00 178.83 177.09 2khw h VAL 72 N 0.41 0.68 0.07 2.39 2.07 -1.99 -3.27 116.25 116.61 2khw h VAL 72 Ca 0.41 -1.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.04 2khw h VAL 72 Cb 0.64 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2khw h VAL 72 CO -0.42 0.38 -0.03 0.15 0.02 0.00 0.00 177.57 177.66 2khw h PHE 73 N 0.00 -0.09 0.00 1.57 3.57 -0.57 -3.02 116.94 118.41 2khw h PHE 73 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2khw h PHE 73 Cb 1.25 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.02 2khw h PHE 73 CO 0.00 0.39 0.00 1.88 -2.23 0.00 0.00 178.31 178.35 2khw h TYR 74 N -0.62 0.00 -0.00 0.41 0.05 -1.33 -0.24 116.97 115.24 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 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 2khw h TYR 74 CO 0.09 0.00 -0.10 0.39 -1.05 0.00 0.00 178.16 177.49 2khw n GLU 75 N -2.60 0.35 -3.25 4.88 1.02 -1.14 -4.84 120.64 115.06 2khw n GLU 75 Ca -0.01 -0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.73 2khw n GLU 75 Cb 0.11 -1.50 -0.05 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 -2.71 4.08 0.74 -4.62 1.43 -0.10 -5.04 118.68 112.46 2khw s LEU 76 Ca 0.22 1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 54.19 2khw s LEU 76 Cb 0.19 -3.82 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 2khw s LEU 76 CO 0.52 -0.17 0.77 -0.81 0.23 0.00 0.00 176.35 176.88 2khw n PRO 77 N -0.47 0.34 0.09 1.29 -0.04 -1.26 -4.70 135.00 130.24 2khw n PRO 77 Ca 0.01 0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.51 2khw n PRO 77 Cb 0.53 -2.05 -0.08 0.00 -0.04 0.00 0.00 33.50 31.86 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 -0.44 -0.16 -0.78 0.54 4.81 -1.96 0.17 114.58 116.76 2khw h GLU 78 Ca -0.46 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 58.95 2khw h GLU 78 Cb 1.33 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.64 2khw h GLU 78 CO 0.44 0.02 0.25 0.00 -0.73 0.00 0.00 179.01 178.99 2khw h ALA 79 N 0.53 1.08 -0.00 2.92 0.00 -2.00 0.49 119.26 122.27 2khw h ALA 79 Ca -0.02 0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 2khw h ALA 79 Cb 0.26 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2khw h ALA 79 CO 0.03 -0.31 -0.77 0.28 0.00 0.00 0.00 179.25 178.48 2khw h VAL 80 N 0.33 1.52 -0.06 0.00 2.07 -1.89 -2.85 116.25 115.38 2khw h VAL 80 Ca 0.45 -2.55 -0.00 0.00 0.82 0.00 0.00 66.70 65.41 2khw h VAL 80 Cb 0.76 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2khw h VAL 80 CO -0.49 0.73 0.03 -0.61 0.02 0.00 0.00 177.57 177.25 2khw h GLN 81 N 0.03 0.08 -0.08 1.57 4.15 0.28 -2.24 115.11 118.90 2khw h GLN 81 Ca -0.01 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.41 2khw h GLN 81 Cb 1.35 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.01 2khw h GLN 81 CO 0.10 0.14 0.01 0.87 -1.93 0.00 0.00 178.83 178.02 2khw h LYS 82 N 0.00 0.04 -0.96 1.69 1.79 -0.38 -0.85 116.57 117.89 2khw h LYS 82 Ca 0.02 -0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.60 2khw h LYS 82 Cb 0.08 -0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 30.64 2khw h LYS 82 CO -0.00 0.02 0.59 0.93 -1.08 0.00 0.00 179.45 179.91 2khw h GLU 83 N 0.04 0.93 -0.18 3.15 5.08 -1.36 0.40 114.58 122.64 2khw h GLU 83 Ca 0.04 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 2khw h GLU 83 Cb 0.04 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2khw h GLU 83 CO -0.06 0.61 -0.57 -0.07 -1.00 0.00 0.00 179.01 177.93 2khw h LEU 84 N 0.95 0.61 -0.25 1.33 3.38 -0.95 -2.53 115.31 117.85 2khw h LEU 84 Ca 0.47 -0.33 -0.20 0.00 0.09 0.00 0.00 57.88 57.91 2khw h LEU 84 Cb 0.43 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2khw h LEU 84 CO -0.26 1.05 -0.62 -0.07 0.09 0.00 0.00 178.44 178.64 2khw h LEU 85 N 0.42 0.98 -1.66 1.67 3.38 0.10 -2.00 115.31 118.20 2khw h LEU 85 Ca 0.00 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 2khw h LEU 85 Cb 1.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2khw h LEU 85 CO 0.11 1.36 0.16 0.00 0.09 0.00 0.00 178.44 180.16 2khw h ALA 86 N 0.64 1.74 -0.00 1.53 0.00 -0.19 0.35 119.26 123.33 2khw h ALA 86 Ca -0.01 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 2khw h ALA 86 Cb 1.23 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2khw h ALA 86 CO 0.13 0.22 -0.90 1.49 0.00 0.00 0.00 179.25 180.20 2khw h GLU 87 N 0.39 0.31 0.00 0.00 4.57 -1.29 -0.05 114.58 118.51 2khw h GLU 87 Ca 0.10 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2khw h GLU 87 Cb 0.01 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2khw h GLU 87 CO -0.02 1.03 0.00 -1.49 -1.18 0.00 0.00 179.01 177.35 2khw h TRP 88 N 0.17 0.00 0.04 0.92 6.55 -0.45 -2.99 115.95 120.19 2khw h TRP 88 Ca -0.06 0.00 -0.26 0.00 0.95 0.00 0.00 58.89 59.52 2khw h TRP 88 Cb 1.53 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 29.81 2khw h TRP 88 CO 0.04 0.00 -1.39 0.87 -1.05 0.00 0.00 178.44 176.92 2khw h LYS 89 N 0.00 0.08 -0.98 0.49 1.57 -0.14 0.57 116.57 118.17 2khw h LYS 89 Ca 0.00 -0.14 0.12 0.00 -1.87 0.00 0.00 60.65 58.76 2khw h LYS 89 Cb 0.74 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.02 2khw h LYS 89 CO 0.00 1.07 0.62 0.07 -0.57 0.00 0.00 179.45 180.64 2khw h ARG 90 N -0.70 0.91 0.05 3.15 0.11 -1.06 -2.58 114.38 114.27 2khw h ARG 90 Ca -0.35 -0.05 -0.35 0.00 0.10 0.00 0.00 59.98 59.32 2khw h ARG 90 Cb 1.50 -0.20 -0.04 0.00 1.11 0.00 0.00 29.97 32.33 2khw h ARG 90 CO -0.11 0.60 -2.08 -2.37 0.10 0.00 0.00 179.97 176.11 2khw n THR 91 N -4.60 1.63 0.00 0.08 5.66 -1.13 -5.11 114.28 110.81 2khw n THR 91 Ca 0.18 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 2khw n THR 91 Cb 0.37 -1.36 0.00 0.00 -1.55 0.00 0.00 70.33 67.79 2khw n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63