#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 2.54 -0.17 -0.18 1.01 -1.26 -5.11 121.20 118.03 2khw s ILE 62 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 2khw s ILE 62 Cb 0.00 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 2khw s ILE 62 CO 0.00 0.58 -0.12 -0.89 0.00 0.00 0.00 174.94 174.51 2khw s THR 63 N -0.47 2.97 -0.07 2.92 2.01 -1.26 -5.11 115.64 116.62 2khw s THR 63 Ca 0.06 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.42 2khw s THR 63 Cb -0.12 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 2khw s THR 63 CO 0.01 0.50 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.95 2khw s PHE 64 N 0.85 2.76 1.02 4.92 0.08 -1.26 -5.11 117.98 121.24 2khw s PHE 64 Ca -0.03 -0.26 -0.18 0.00 0.12 0.00 0.00 56.93 56.57 2khw s PHE 64 Cb -0.15 -1.70 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2khw s PHE 64 CO 0.00 0.10 -0.29 -2.30 -0.10 0.00 0.00 175.22 172.63 2khw n PRO 65 N 2.63 -0.61 0.00 0.24 -0.02 -1.26 -4.79 135.00 131.19 2khw n PRO 65 Ca -0.17 -0.16 0.07 0.00 -2.02 0.00 0.00 63.50 61.22 2khw n PRO 65 Cb 0.52 -1.50 0.40 0.00 -0.02 0.00 0.00 33.50 32.90 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 0.30 0.00 0.00 2.55 3.41 -1.26 -2.23 113.62 116.40 2khw n SER 66 Ca 0.02 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2khw n SER 66 Cb 0.61 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.12 1.53 -4.49 4.04 8.00 -1.26 -5.01 116.55 118.23 2khw n ASP 67 Ca 0.09 -1.61 -0.34 0.00 0.71 0.00 0.00 54.79 53.64 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 -0.61 3.93 -0.13 0.53 -1.09 -0.94 -5.10 121.20 117.79 2khw s ILE 68 Ca 0.00 -0.34 -0.07 0.00 -2.23 0.00 0.00 60.65 58.01 2khw s ILE 68 Cb 0.00 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 2khw s ILE 68 CO 0.00 0.48 0.13 -0.62 -1.23 0.00 0.00 174.94 173.70 2khw s ASP 69 N 0.46 6.28 0.04 3.58 -1.08 -1.26 -4.69 116.67 120.00 2khw s ASP 69 Ca -0.03 0.41 -0.21 0.00 -0.52 0.00 0.00 52.55 52.20 2khw s ASP 69 Cb -0.14 -2.03 -0.14 0.00 -1.46 0.00 0.00 42.92 39.14 2khw s ASP 69 CO 0.03 0.37 1.38 1.55 0.52 0.00 0.00 175.17 179.01 2khw h PRO 70 N 5.27 0.29 -0.84 4.34 0.13 -1.98 -2.27 132.00 136.93 2khw h PRO 70 Ca -0.52 -0.13 0.17 0.00 -0.87 0.00 0.00 66.00 64.65 2khw h PRO 70 Cb 1.21 -0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 2khw h PRO 70 CO 0.61 0.63 0.39 0.37 -0.23 0.00 0.00 178.00 179.77 2khw h GLN 71 N -0.07 0.48 0.00 0.86 4.15 -2.00 0.19 115.11 118.73 2khw h GLN 71 Ca 0.03 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 2khw h GLN 71 Cb 0.56 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 2khw h GLN 71 CO 0.02 0.32 -0.45 0.28 -1.93 0.00 0.00 178.83 177.08 2khw h VAL 72 N 0.50 0.66 0.09 2.39 2.07 -1.98 -3.24 116.25 116.74 2khw h VAL 72 Ca 0.49 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 2khw h VAL 72 Cb 0.79 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2khw h VAL 72 CO -0.43 0.38 -0.04 0.15 0.02 0.00 0.00 177.57 177.64 2khw h PHE 73 N 0.00 -0.11 0.00 1.57 3.57 -0.11 -3.15 116.94 118.71 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 1.31 0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.09 2khw h PHE 73 CO 0.00 0.42 0.00 1.88 -2.23 0.00 0.00 178.31 178.38 2khw h TYR 74 N -0.80 0.00 -0.00 0.41 0.05 -1.11 0.16 116.97 115.68 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 0.58 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.32 2khw h TYR 74 CO 0.12 0.00 -0.03 0.39 -1.05 0.00 0.00 178.16 177.58 2khw n GLU 75 N -2.67 0.39 -3.33 4.88 1.02 -1.19 -4.82 120.64 114.92 2khw n GLU 75 Ca -0.01 -0.04 -0.31 0.00 -0.02 0.00 0.00 57.16 56.78 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 -2.64 4.10 0.81 -4.62 1.43 0.04 -5.05 118.68 112.76 2khw s LEU 76 Ca 0.26 0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 54.11 2khw s LEU 76 Cb 0.20 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.76 2khw s LEU 76 CO 0.48 -0.14 0.79 -0.81 0.23 0.00 0.00 176.35 176.90 2khw n PRO 77 N -0.47 0.13 0.02 1.29 -0.04 -1.26 -4.72 135.00 129.94 2khw n PRO 77 Ca 0.00 0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 2khw n PRO 77 Cb 0.53 -2.09 -0.08 0.00 -0.04 0.00 0.00 33.50 31.82 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 -0.85 -0.00 -0.84 0.54 4.57 -1.96 -0.06 114.58 115.98 2khw h GLU 78 Ca -0.45 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 57.90 2khw h GLU 78 Cb 1.31 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.80 2khw h GLU 78 CO 0.42 0.16 0.37 0.00 -1.18 0.00 0.00 179.01 178.78 2khw h ALA 79 N 0.83 1.27 -0.01 2.92 0.00 -2.00 0.41 119.26 122.69 2khw h ALA 79 Ca -0.00 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 2khw h ALA 79 Cb 0.16 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2khw h ALA 79 CO 0.00 -0.24 -0.80 0.28 0.00 0.00 0.00 179.25 178.49 2khw h VAL 80 N 0.46 1.49 0.10 0.00 2.07 -1.89 -2.84 116.25 115.64 2khw h VAL 80 Ca 0.49 -2.51 -0.00 0.00 0.82 0.00 0.00 66.70 65.50 2khw h VAL 80 Cb 0.83 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 2khw h VAL 80 CO -0.46 0.73 -0.08 -0.61 0.02 0.00 0.00 177.57 177.17 2khw h GLN 81 N 0.09 -0.18 -0.20 1.57 4.15 0.17 -1.46 115.11 119.24 2khw h GLN 81 Ca -0.03 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.43 2khw h GLN 81 Cb 1.39 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 29.10 2khw h GLN 81 CO 0.12 -0.12 0.03 0.87 -1.93 0.00 0.00 178.83 177.80 2khw h LYS 82 N -0.19 0.11 -0.89 1.69 1.79 -0.71 -0.78 116.57 117.59 2khw h LYS 82 Ca -0.00 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 2khw h LYS 82 Cb 0.17 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.74 2khw h LYS 82 CO -0.01 0.07 0.57 0.93 -1.08 0.00 0.00 179.45 179.94 2khw h GLU 83 N 0.11 1.03 -0.19 3.15 5.08 -1.25 0.37 114.58 122.88 2khw h GLU 83 Ca 0.09 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 2khw h GLU 83 Cb 0.09 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2khw h GLU 83 CO -0.13 0.68 -0.55 -0.07 -1.00 0.00 0.00 179.01 177.95 2khw h LEU 84 N 1.06 0.63 -0.41 1.33 3.38 -0.86 -2.54 115.31 117.91 2khw h LEU 84 Ca 0.38 -0.33 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 2khw h LEU 84 Cb 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2khw h LEU 84 CO -0.15 1.05 -0.57 -0.07 0.09 0.00 0.00 178.44 178.79 2khw h LEU 85 N 0.43 0.78 -1.62 1.67 3.38 -0.45 -2.33 115.31 117.17 2khw h LEU 85 Ca 0.01 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2khw h LEU 85 Cb 1.09 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2khw h LEU 85 CO 0.10 1.18 0.16 0.00 0.09 0.00 0.00 178.44 179.98 2khw h ALA 86 N 0.83 1.71 -0.07 1.53 0.00 -0.17 0.79 119.26 123.88 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 1.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2khw h ALA 86 CO 0.12 0.25 -0.84 1.49 0.00 0.00 0.00 179.25 180.27 2khw h GLU 87 N 0.43 0.54 0.00 0.00 4.57 -1.24 -0.51 114.58 118.37 2khw h GLU 87 Ca 0.11 -0.49 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 2khw h GLU 87 Cb 0.02 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2khw h GLU 87 CO -0.02 1.12 0.00 0.91 -1.18 0.00 0.00 179.01 179.84 2khw n TRP 88 N -3.84 0.43 -0.09 0.92 8.01 -0.63 -2.87 117.44 119.38 2khw n TRP 88 Ca -0.06 0.15 -0.23 0.00 -1.31 0.00 0.00 57.50 56.04 2khw n TRP 88 Cb 0.77 -0.74 -0.12 0.00 -2.01 0.00 0.00 31.31 29.21 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 -1.88 0.61 -0.34 -0.99 5.02 0.18 -0.38 118.16 120.38 2khw n LYS 89 Ca 0.04 0.42 0.10 0.00 -2.02 0.00 0.00 58.31 56.85 2khw n LYS 89 Cb 0.28 -1.67 0.29 0.00 -0.02 0.00 0.00 35.03 33.92 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 -0.73 0.84 0.13 1.97 0.11 -1.11 -0.36 114.38 115.24 2khw h ARG 90 Ca -0.46 -0.05 -0.32 0.00 0.10 0.00 0.00 59.98 59.26 2khw h ARG 90 Cb 1.55 -0.19 -0.00 0.00 1.11 0.00 0.00 29.97 32.44 2khw h ARG 90 CO -0.19 0.56 -1.58 0.00 0.10 0.00 0.00 179.97 178.85 2khw h THR 91 N 0.87 1.11 0.00 0.08 1.03 -1.68 -3.52 112.91 110.80 2khw h THR 91 Ca 0.51 -2.73 0.00 0.00 -0.01 0.00 0.00 66.41 64.18 2khw h THR 91 Cb 0.66 2.76 0.00 0.00 -1.07 0.00 0.00 68.15 70.50 2khw h THR 91 CO -0.28 0.82 0.00 0.61 -0.01 0.00 0.00 175.52 176.66