#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 3.12 -0.15 3.15 1.01 -1.26 -5.10 121.20 121.97 2khw s ILE 62 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 2khw s ILE 62 Cb 0.00 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 2khw s ILE 62 CO 0.00 0.54 -0.12 -0.89 0.00 0.00 0.00 174.94 174.47 2khw s THR 63 N 0.12 3.09 -0.09 2.92 2.01 -1.26 -5.11 115.64 117.32 2khw s THR 63 Ca -0.06 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.32 2khw s THR 63 Cb -0.15 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 2khw s THR 63 CO 0.05 0.51 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.01 2khw s PHE 64 N 0.57 2.81 1.03 4.92 0.08 -1.26 -5.06 117.98 121.08 2khw s PHE 64 Ca -0.07 -0.29 -0.17 0.00 0.12 0.00 0.00 56.93 56.52 2khw s PHE 64 Cb -0.15 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.56 2khw s PHE 64 CO 0.03 0.07 -0.15 -2.30 -0.10 0.00 0.00 175.22 172.77 2khw n PRO 65 N 2.79 -0.71 0.00 0.24 -0.02 -1.26 -4.79 135.00 131.24 2khw n PRO 65 Ca -0.18 -0.19 0.06 0.00 -2.02 0.00 0.00 63.50 61.18 2khw n PRO 65 Cb 0.53 -1.58 0.34 0.00 -0.02 0.00 0.00 33.50 32.76 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 -0.02 2.55 7.64 -1.26 -2.17 113.62 120.14 2khw n SER 66 Ca 0.02 -0.20 0.01 0.00 1.01 0.00 0.00 58.87 59.72 2khw n SER 66 Cb 0.60 -0.11 0.02 0.00 -1.01 0.00 0.00 64.21 63.71 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 1.80 -4.37 6.43 8.00 -1.26 -5.01 116.55 121.04 2khw n ASP 67 Ca 0.08 -2.05 -0.33 0.00 0.71 0.00 0.00 54.79 53.19 2khw n ASP 67 Cb 0.06 -0.07 -0.14 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.15 3.00 -0.12 0.53 -1.09 -0.92 -5.11 121.20 116.34 2khw s ILE 68 Ca 0.05 -0.68 -0.08 0.00 -2.23 0.00 0.00 60.65 57.70 2khw s ILE 68 Cb 0.04 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 38.62 2khw s ILE 68 CO 0.00 0.53 0.17 -0.62 -1.23 0.00 0.00 174.94 173.79 2khw s ASP 69 N 0.31 6.40 0.23 3.58 -1.08 -1.26 -4.71 116.67 120.14 2khw s ASP 69 Ca -0.11 0.48 0.02 0.00 -0.52 0.00 0.00 52.55 52.43 2khw s ASP 69 Cb -0.16 -2.09 0.22 0.00 -1.46 0.00 0.00 42.92 39.42 2khw s ASP 69 CO 0.06 0.36 1.55 1.55 0.52 0.00 0.00 175.17 179.20 2khw h PRO 70 N 5.27 0.32 -0.59 4.34 0.13 -1.99 -2.72 132.00 136.75 2khw h PRO 70 Ca -0.52 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.37 2khw h PRO 70 Cb 1.21 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2khw h PRO 70 CO 0.62 0.82 0.28 0.37 -0.23 0.00 0.00 178.00 179.85 2khw h GLN 71 N 0.24 0.86 0.00 0.86 5.75 -2.00 -2.27 115.11 118.54 2khw h GLN 71 Ca -0.00 -0.13 -0.08 0.00 -0.15 0.00 0.00 58.65 58.28 2khw h GLN 71 Cb 1.10 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 2khw h GLN 71 CO 0.10 0.70 -0.41 0.28 -2.65 0.00 0.00 178.83 176.85 2khw h VAL 72 N 0.81 0.64 0.29 2.39 2.07 -1.99 -3.29 116.25 117.17 2khw h VAL 72 Ca 0.20 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 2khw h VAL 72 Cb 0.13 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2khw h VAL 72 CO -0.02 0.37 -0.14 0.15 0.02 0.00 0.00 177.57 177.94 2khw h PHE 73 N 0.00 -0.36 0.00 1.57 3.57 -1.14 -2.88 116.94 117.70 2khw h PHE 73 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2khw h PHE 73 Cb 1.30 0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.15 2khw h PHE 73 CO 0.00 -0.01 0.00 1.88 -2.23 0.00 0.00 178.31 177.95 2khw h TYR 74 N -0.80 0.00 -0.00 0.41 0.05 -1.55 0.13 116.97 115.21 2khw h TYR 74 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 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 0.04 0.00 -0.11 0.39 -1.05 0.00 0.00 178.16 177.43 2khw n GLU 75 N -2.33 0.43 -3.28 4.88 1.02 -1.09 -4.83 120.64 115.44 2khw n GLU 75 Ca -0.01 -0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 56.70 2khw n GLU 75 Cb 0.05 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.65 4.08 0.77 -4.62 1.43 0.46 -5.05 118.68 113.10 2khw s LEU 76 Ca 0.24 0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 54.12 2khw s LEU 76 Cb 0.20 -3.73 0.02 0.00 0.03 0.00 0.00 46.19 42.71 2khw s LEU 76 CO 0.51 -0.17 0.87 -0.81 0.23 0.00 0.00 176.35 176.98 2khw n PRO 77 N -0.55 0.28 0.12 1.29 -0.04 -1.26 -4.71 135.00 130.12 2khw n PRO 77 Ca 0.00 0.15 -0.14 0.00 -0.04 0.00 0.00 63.50 63.48 2khw n PRO 77 Cb 0.53 -2.15 -0.08 0.00 -0.04 0.00 0.00 33.50 31.76 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 -0.61 -0.25 -0.84 0.54 4.81 -1.96 0.15 114.58 116.43 2khw h GLU 78 Ca -0.46 0.02 0.20 0.00 -0.13 0.00 0.00 59.36 58.99 2khw h GLU 78 Cb 1.32 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 30.64 2khw h GLU 78 CO 0.44 -0.06 0.29 0.00 -0.73 0.00 0.00 179.01 178.95 2khw h ALA 79 N 0.39 1.23 -0.01 2.92 0.00 -2.00 0.69 119.26 122.48 2khw h ALA 79 Ca -0.03 0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 2khw h ALA 79 Cb 0.30 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2khw h ALA 79 CO 0.04 -0.36 -0.79 0.28 0.00 0.00 0.00 179.25 178.43 2khw h VAL 80 N 0.32 1.48 0.00 0.00 2.07 -1.88 -2.86 116.25 115.39 2khw h VAL 80 Ca 0.51 -2.47 -0.00 0.00 0.82 0.00 0.00 66.70 65.56 2khw h VAL 80 Cb 0.94 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2khw h VAL 80 CO -0.54 0.72 -0.00 -0.61 0.02 0.00 0.00 177.57 177.15 2khw h GLN 81 N 0.10 -0.00 -0.24 1.57 4.15 0.31 -1.57 115.11 119.43 2khw h GLN 81 Ca -0.03 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.42 2khw h GLN 81 Cb 1.38 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.04 2khw h GLN 81 CO 0.12 0.02 0.06 0.87 -1.93 0.00 0.00 178.83 177.97 2khw h LYS 82 N -0.03 0.15 -0.87 1.69 1.79 -0.36 0.11 116.57 119.05 2khw h LYS 82 Ca -0.00 -0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.53 2khw h LYS 82 Cb 0.03 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.58 2khw h LYS 82 CO 0.00 0.10 0.54 0.93 -1.08 0.00 0.00 179.45 179.94 2khw h GLU 83 N 0.16 0.93 -0.21 3.15 5.08 -1.26 0.51 114.58 122.93 2khw h GLU 83 Ca 0.11 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 2khw h GLU 83 Cb 0.09 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2khw h GLU 83 CO -0.13 0.61 -0.62 -0.07 -1.00 0.00 0.00 179.01 177.81 2khw h LEU 84 N 0.95 0.83 -0.43 1.33 3.38 -0.67 -2.30 115.31 118.41 2khw h LEU 84 Ca 0.39 -0.47 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 2khw h LEU 84 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2khw h LEU 84 CO -0.19 1.25 -0.36 -0.07 0.09 0.00 0.00 178.44 179.15 2khw h LEU 85 N 0.54 0.98 -1.70 1.67 3.38 -0.05 -2.08 115.31 118.04 2khw h LEU 85 Ca -0.01 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 2khw h LEU 85 Cb 1.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2khw h LEU 85 CO 0.13 1.23 -0.05 0.00 0.09 0.00 0.00 178.44 179.83 2khw h ALA 86 N 0.82 1.76 -0.07 1.53 0.00 0.07 0.90 119.26 124.27 2khw h ALA 86 Ca 0.07 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 2khw h ALA 86 Cb 0.95 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.70 2khw h ALA 86 CO 0.09 0.18 -0.87 1.49 0.00 0.00 0.00 179.25 180.14 2khw h GLU 87 N 0.12 0.62 0.00 0.00 4.57 -1.08 0.14 114.58 118.95 2khw h GLU 87 Ca 0.03 -0.57 -0.02 0.00 -1.18 0.00 0.00 59.36 57.62 2khw h GLU 87 Cb 0.18 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2khw h GLU 87 CO 0.01 1.19 -0.08 -1.49 -1.18 0.00 0.00 179.01 177.46 2khw h TRP 88 N 0.39 0.00 0.08 0.92 6.55 -0.65 -2.94 115.95 120.29 2khw h TRP 88 Ca -0.07 0.00 -0.25 0.00 0.95 0.00 0.00 58.89 59.51 2khw h TRP 88 Cb 1.50 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.79 2khw h TRP 88 CO 0.08 0.08 -1.32 0.87 -1.05 0.00 0.00 178.44 177.09 2khw h LYS 89 N 0.00 0.16 -0.93 0.49 1.57 -0.67 0.59 116.57 117.78 2khw h LYS 89 Ca -0.00 -0.27 0.08 0.00 -1.87 0.00 0.00 60.65 58.59 2khw h LYS 89 Cb 0.73 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.07 2khw h LYS 89 CO 0.01 1.13 0.58 0.07 -0.57 0.00 0.00 179.45 180.67 2khw h ARG 90 N -0.51 0.97 0.10 3.15 0.11 -0.99 -2.66 114.38 114.55 2khw h ARG 90 Ca -0.31 -0.06 -0.34 0.00 0.10 0.00 0.00 59.98 59.37 2khw h ARG 90 Cb 1.61 -0.22 -0.02 0.00 1.11 0.00 0.00 29.97 32.44 2khw h ARG 90 CO -0.02 0.64 -1.89 0.00 0.10 0.00 0.00 179.97 178.80 2khw h THR 91 N 1.00 0.72 0.00 0.08 1.03 -1.65 -3.51 112.91 110.57 2khw h THR 91 Ca 0.43 -2.46 0.00 0.00 -0.01 0.00 0.00 66.41 64.37 2khw h THR 91 Cb 0.29 2.51 0.00 0.00 -1.07 0.00 0.00 68.15 69.88 2khw h THR 91 CO -0.21 0.79 0.00 0.61 -0.01 0.00 0.00 175.52 176.70