#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 4.30 -0.17 -0.18 1.01 -1.26 -5.09 121.20 119.81 2khw s ILE 62 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 2khw s ILE 62 Cb 0.00 -2.88 -0.00 0.00 0.01 0.00 0.00 42.46 39.59 2khw s ILE 62 CO 0.00 0.51 -0.14 -0.89 0.00 0.00 0.00 174.94 174.43 2khw s THR 63 N 0.01 2.74 -0.09 2.92 2.01 -1.26 -5.11 115.64 116.86 2khw s THR 63 Ca 0.03 -0.74 -0.00 0.00 0.31 0.00 0.00 61.69 61.29 2khw s THR 63 Cb -0.13 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 2khw s THR 63 CO 0.02 0.50 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.03 2khw s PHE 64 N 0.93 2.96 1.01 4.92 0.08 -1.26 -5.10 117.98 121.52 2khw s PHE 64 Ca -0.03 -0.08 -0.17 0.00 0.12 0.00 0.00 56.93 56.77 2khw s PHE 64 Cb -0.15 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 2khw s PHE 64 CO -0.02 0.22 -0.18 -2.30 -0.10 0.00 0.00 175.22 172.85 2khw n PRO 65 N 2.59 -0.58 0.00 0.24 -0.02 -1.26 -4.79 135.00 131.19 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 -1.55 0.33 0.00 -0.02 0.00 0.00 33.50 32.79 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 0.08 0.00 0.00 2.55 2.88 -1.26 -2.16 113.62 115.71 2khw n SER 66 Ca 0.02 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 2khw n SER 66 Cb 0.59 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.09 1.62 -4.43 -3.46 8.00 -1.26 -5.02 116.55 110.91 2khw n ASP 67 Ca 0.08 -1.80 -0.33 0.00 0.71 0.00 0.00 54.79 53.45 2khw n ASP 67 Cb 0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.02 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 -0.80 3.52 -0.10 0.53 -1.09 -0.92 -5.10 121.20 117.24 2khw s ILE 68 Ca 0.00 -0.49 -0.09 0.00 -2.23 0.00 0.00 60.65 57.84 2khw s ILE 68 Cb 0.00 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 2khw s ILE 68 CO 0.00 0.50 0.20 -0.62 -1.23 0.00 0.00 174.94 173.79 2khw s ASP 69 N 0.44 6.47 0.05 3.58 -1.08 -1.26 -4.71 116.67 120.16 2khw s ASP 69 Ca -0.06 0.56 -0.19 0.00 -0.52 0.00 0.00 52.55 52.34 2khw s ASP 69 Cb -0.15 -2.11 -0.14 0.00 -1.46 0.00 0.00 42.92 39.06 2khw s ASP 69 CO 0.04 0.36 1.32 1.55 0.52 0.00 0.00 175.17 178.96 2khw h PRO 70 N 5.10 0.46 -0.73 4.34 0.13 -1.99 -2.33 132.00 136.99 2khw h PRO 70 Ca -0.53 -0.28 0.17 0.00 -0.87 0.00 0.00 66.00 64.49 2khw h PRO 70 Cb 1.22 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 2khw h PRO 70 CO 0.61 0.87 0.07 0.37 -0.23 0.00 0.00 178.00 179.69 2khw h GLN 71 N 0.10 0.15 0.25 0.86 4.15 -2.00 -1.54 115.11 117.08 2khw h GLN 71 Ca 0.02 -0.01 -0.34 0.00 0.77 0.00 0.00 58.65 59.09 2khw h GLN 71 Cb 0.83 -0.03 0.04 0.00 0.21 0.00 0.00 27.48 28.52 2khw h GLN 71 CO 0.06 0.10 -1.47 0.28 -1.93 0.00 0.00 178.83 175.87 2khw h VAL 72 N 0.16 1.29 -0.08 2.39 2.07 -1.99 -3.29 116.25 116.79 2khw h VAL 72 Ca 0.41 -2.69 0.04 0.00 0.82 0.00 0.00 66.70 65.27 2khw h VAL 72 Cb 0.71 3.03 -0.06 0.00 -1.52 0.00 0.00 31.29 33.45 2khw h VAL 72 CO -0.60 0.81 -0.29 0.15 0.02 0.00 0.00 177.57 177.66 2khw h PHE 73 N 0.16 -0.80 0.00 1.57 3.57 -0.74 0.91 116.94 121.61 2khw h PHE 73 Ca -0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.28 2khw h PHE 73 Cb 2.16 0.36 0.00 0.00 2.79 0.00 0.00 35.95 41.26 2khw h PHE 73 CO 0.13 -0.38 0.00 1.88 -2.23 0.00 0.00 178.31 177.71 2khw h TYR 74 N -0.39 0.00 -0.00 0.41 0.05 -1.46 0.11 116.97 115.68 2khw h TYR 74 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 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 -0.36 0.00 -0.07 0.39 -1.05 0.00 0.00 178.16 177.07 2khw n GLU 75 N -2.84 0.55 -3.24 4.88 1.02 0.29 -4.83 120.64 116.47 2khw n GLU 75 Ca -0.02 -0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 56.69 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 -2.54 4.06 0.75 -4.62 1.43 0.36 -5.04 118.68 113.08 2khw s LEU 76 Ca 0.28 0.97 -0.15 0.00 -1.03 0.00 0.00 54.13 54.20 2khw s LEU 76 Cb 0.20 -3.78 0.01 0.00 0.03 0.00 0.00 46.19 42.65 2khw s LEU 76 CO 0.48 -0.19 0.86 -0.81 0.23 0.00 0.00 176.35 176.91 2khw n PRO 77 N -0.60 0.35 -0.02 1.29 -0.04 -1.26 -4.73 135.00 129.98 2khw n PRO 77 Ca 0.01 0.17 -0.11 0.00 -0.04 0.00 0.00 63.50 63.53 2khw n PRO 77 Cb 0.53 -2.13 -0.06 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 -0.48 0.17 -0.84 0.54 4.57 -1.96 0.45 114.58 117.03 2khw h GLU 78 Ca -0.46 -0.03 0.15 0.00 -1.18 0.00 0.00 59.36 57.84 2khw h GLU 78 Cb 1.33 -0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 29.79 2khw h GLU 78 CO 0.45 0.28 0.41 0.00 -1.18 0.00 0.00 179.01 178.97 2khw h ALA 79 N 0.88 1.27 -0.01 2.92 0.00 -2.00 0.37 119.26 122.69 2khw h ALA 79 Ca 0.04 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 2khw h ALA 79 Cb 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2khw h ALA 79 CO -0.00 -0.14 -0.79 0.28 0.00 0.00 0.00 179.25 178.60 2khw h VAL 80 N 0.57 1.50 0.32 0.00 2.07 -1.89 -2.88 116.25 115.95 2khw h VAL 80 Ca 0.47 -2.52 -0.02 0.00 0.82 0.00 0.00 66.70 65.46 2khw h VAL 80 Cb 0.70 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2khw h VAL 80 CO -0.39 0.73 -0.15 -0.61 0.02 0.00 0.00 177.57 177.17 2khw h GLN 81 N 0.07 -0.42 -0.31 1.57 4.15 0.18 -1.72 115.11 118.64 2khw h GLN 81 Ca -0.02 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.48 2khw h GLN 81 Cb 1.38 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 29.11 2khw h GLN 81 CO 0.11 -0.27 -0.01 0.87 -1.93 0.00 0.00 178.83 177.60 2khw h LYS 82 N -0.44 0.07 -0.95 1.69 1.79 -0.52 -0.25 116.57 117.96 2khw h LYS 82 Ca -0.04 -0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.49 2khw h LYS 82 Cb 0.34 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.91 2khw h LYS 82 CO 0.07 0.05 0.62 0.93 -1.08 0.00 0.00 179.45 180.04 2khw h GLU 83 N 0.07 1.07 -0.09 3.15 5.08 -1.29 0.38 114.58 122.95 2khw h GLU 83 Ca 0.15 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.23 2khw h GLU 83 Cb 0.20 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2khw h GLU 83 CO -0.26 0.71 -0.79 -0.07 -1.00 0.00 0.00 179.01 177.59 2khw h LEU 84 N 1.10 0.70 -0.38 1.33 3.38 -0.52 -2.50 115.31 118.42 2khw h LEU 84 Ca 0.41 -0.48 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 2khw h LEU 84 Cb 0.18 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2khw h LEU 84 CO -0.16 1.25 -0.57 -0.07 0.09 0.00 0.00 178.44 178.98 2khw h LEU 85 N 0.38 0.82 -1.42 1.67 3.38 -0.42 -2.04 115.31 117.68 2khw h LEU 85 Ca -0.05 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 2khw h LEU 85 Cb 1.40 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2khw h LEU 85 CO 0.15 1.21 0.13 0.00 0.09 0.00 0.00 178.44 180.03 2khw h ALA 86 N 0.80 1.55 -0.04 1.53 0.00 -0.23 0.21 119.26 123.09 2khw h ALA 86 Ca 0.01 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2khw h ALA 86 Cb 1.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2khw h ALA 86 CO 0.12 0.35 -0.77 1.49 0.00 0.00 0.00 179.25 180.43 2khw h GLU 87 N 0.52 0.27 0.00 0.00 4.57 -1.27 0.18 114.58 118.86 2khw h GLU 87 Ca 0.13 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2khw h GLU 87 Cb 0.13 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2khw h GLU 87 CO -0.01 0.92 0.00 -1.49 -1.18 0.00 0.00 179.01 177.25 2khw h TRP 88 N 0.18 0.00 0.03 0.92 6.55 -0.51 -2.91 115.95 120.21 2khw h TRP 88 Ca -0.03 0.00 -0.32 0.00 0.95 0.00 0.00 58.89 59.49 2khw h TRP 88 Cb 1.35 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 29.62 2khw h TRP 88 CO 0.03 0.00 -1.78 1.63 -1.05 0.00 0.00 178.44 177.28 2khw n LYS 89 N -2.34 0.63 -0.34 0.49 5.02 0.63 0.56 118.16 122.81 2khw n LYS 89 Ca 0.04 0.41 0.07 0.00 -2.02 0.00 0.00 58.31 56.81 2khw n LYS 89 Cb 0.36 -1.67 0.24 0.00 -0.02 0.00 0.00 35.03 33.93 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 -0.65 0.87 0.11 1.97 0.11 -0.70 -1.40 114.38 114.70 2khw h ARG 90 Ca -0.45 -0.05 -0.33 0.00 0.10 0.00 0.00 59.98 59.25 2khw h ARG 90 Cb 1.59 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 32.46 2khw h ARG 90 CO -0.17 0.58 -1.73 0.00 0.10 0.00 0.00 179.97 178.75 2khw h THR 91 N 0.90 0.92 0.00 0.08 1.03 -1.66 -3.51 112.91 110.66 2khw h THR 91 Ca 0.49 -2.60 0.00 0.00 -0.01 0.00 0.00 66.41 64.29 2khw h THR 91 Cb 0.54 2.63 0.00 0.00 -1.07 0.00 0.00 68.15 70.25 2khw h THR 91 CO -0.29 0.80 0.00 0.61 -0.01 0.00 0.00 175.52 176.63