#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 3.37 -0.17 -0.18 1.01 -1.26 -5.10 121.20 118.88 2khw s ILE 62 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 2khw s ILE 62 Cb 0.00 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 2khw s ILE 62 CO 0.00 0.51 -0.09 -0.89 0.00 0.00 0.00 174.94 174.47 2khw s THR 63 N 0.41 3.25 -0.11 2.92 2.01 -1.26 -5.11 115.64 117.76 2khw s THR 63 Ca -0.08 -0.57 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 2khw s THR 63 Cb -0.15 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 2khw s THR 63 CO 0.04 0.49 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.01 2khw s PHE 64 N 0.78 2.90 1.03 4.92 0.08 -1.26 -5.10 117.98 121.32 2khw s PHE 64 Ca -0.03 -0.27 -0.18 0.00 0.12 0.00 0.00 56.93 56.56 2khw s PHE 64 Cb -0.15 -1.81 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 2khw s PHE 64 CO 0.01 0.06 -0.29 -2.30 -0.10 0.00 0.00 175.22 172.61 2khw n PRO 65 N 2.96 -0.63 0.00 0.24 -0.02 -1.26 -4.77 135.00 131.51 2khw n PRO 65 Ca -0.18 -0.17 0.06 0.00 -2.02 0.00 0.00 63.50 61.20 2khw n PRO 65 Cb 0.53 -1.50 0.34 0.00 -0.02 0.00 0.00 33.50 32.84 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 0.25 0.00 0.00 2.55 7.64 -1.26 -2.06 113.62 120.74 2khw n SER 66 Ca 0.02 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2khw n SER 66 Cb 0.61 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 -1.12 1.61 -4.45 6.43 9.92 -1.26 -5.01 116.55 122.66 2khw n ASP 67 Ca 0.08 -1.67 -0.34 0.00 -0.53 0.00 0.00 54.79 52.33 2khw n ASP 67 Cb 0.07 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.42 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 -0.67 3.73 -0.11 0.53 -1.09 -0.87 -5.10 121.20 117.62 2khw s ILE 68 Ca 0.00 -0.41 -0.09 0.00 -2.23 0.00 0.00 60.65 57.92 2khw s ILE 68 Cb 0.00 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 38.20 2khw s ILE 68 CO 0.00 0.48 0.19 -0.62 -1.23 0.00 0.00 174.94 173.76 2khw s ASP 69 N 0.55 6.45 0.28 3.58 2.15 -1.26 -4.68 116.67 123.73 2khw s ASP 69 Ca -0.03 0.54 0.08 0.00 0.43 0.00 0.00 52.55 53.56 2khw s ASP 69 Cb -0.14 -2.11 0.38 0.00 -0.30 0.00 0.00 42.92 40.75 2khw s ASP 69 CO 0.03 0.36 1.63 1.55 -0.17 0.00 0.00 175.17 178.57 2khw h PRO 70 N 5.15 0.11 -0.35 4.34 0.13 -1.99 -2.69 132.00 136.70 2khw h PRO 70 Ca -0.53 -0.07 -0.15 0.00 -0.87 0.00 0.00 66.00 64.38 2khw h PRO 70 Cb 1.22 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2khw h PRO 70 CO 0.61 0.63 -0.39 0.37 -0.23 0.00 0.00 178.00 178.99 2khw h GLN 71 N 0.08 0.85 0.00 0.86 4.15 -2.00 -2.35 115.11 116.70 2khw h GLN 71 Ca -0.00 -0.44 -0.08 0.00 0.77 0.00 0.00 58.65 58.90 2khw h GLN 71 Cb 1.01 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 2khw h GLN 71 CO 0.08 1.08 -0.36 0.28 -1.93 0.00 0.00 178.83 177.99 2khw h VAL 72 N 0.69 0.62 0.16 2.39 2.07 -1.99 -3.25 116.25 116.94 2khw h VAL 72 Ca 0.06 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 2khw h VAL 72 Cb 0.96 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2khw h VAL 72 CO 0.09 0.35 -0.08 0.15 0.02 0.00 0.00 177.57 178.10 2khw h PHE 73 N 0.00 -0.20 0.00 1.57 3.57 -1.32 -3.15 116.94 117.41 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 1.26 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2khw h PHE 73 CO 0.00 0.23 0.00 0.66 -2.23 0.00 0.00 178.31 176.97 2khw n TYR 74 N -4.91 0.77 1.18 0.41 4.01 -0.90 -0.69 117.16 117.03 2khw n TYR 74 Ca -0.07 0.38 0.14 0.00 -0.16 0.00 0.00 57.90 58.19 2khw n TYR 74 Cb 0.26 -1.12 0.53 0.00 -0.31 0.00 0.00 39.34 38.70 2khw n TYR 74 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2khw n GLU 75 N -2.28 0.30 -3.17 -0.72 1.02 -1.19 -4.84 120.64 109.76 2khw n GLU 75 Ca -0.01 -0.10 -0.31 0.00 -0.02 0.00 0.00 57.16 56.72 2khw n GLU 75 Cb 0.07 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.94 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 -2.76 4.04 0.14 -4.62 1.43 0.13 -5.00 118.68 112.03 2khw s LEU 76 Ca 0.20 1.10 -0.33 0.00 -1.03 0.00 0.00 54.13 54.07 2khw s LEU 76 Cb 0.19 -3.91 -0.13 0.00 0.03 0.00 0.00 46.19 42.37 2khw s LEU 76 CO 0.55 -0.21 1.67 -0.81 0.23 0.00 0.00 176.35 177.77 2khw n PRO 77 N -0.56 2.35 -0.35 1.29 -0.04 -1.26 -4.67 135.00 131.76 2khw n PRO 77 Ca 0.02 0.85 0.11 0.00 -0.04 0.00 0.00 63.50 64.44 2khw n PRO 77 Cb 0.53 -2.65 0.23 0.00 -0.04 0.00 0.00 33.50 31.57 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 6.74 0.00 -0.73 0.54 4.81 -1.94 0.58 114.58 124.57 2khw h GLU 78 Ca -0.45 -0.00 0.15 0.00 -0.13 0.00 0.00 59.36 58.93 2khw h GLU 78 Cb 1.24 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.52 2khw h GLU 78 CO 0.91 0.00 0.21 0.00 -0.73 0.00 0.00 179.01 179.41 2khw h ALA 79 N 1.99 0.98 -0.00 2.92 0.00 -2.00 0.47 119.26 123.61 2khw h ALA 79 Ca 0.55 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 55.46 2khw h ALA 79 Cb 1.03 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2khw h ALA 79 CO -0.97 -0.30 -0.73 0.28 0.00 0.00 0.00 179.25 177.53 2khw h VAL 80 N 0.32 1.52 0.09 0.00 2.07 -0.30 -2.86 116.25 117.08 2khw h VAL 80 Ca 0.41 -2.49 -0.00 0.00 0.82 0.00 0.00 66.70 65.43 2khw h VAL 80 Cb 0.68 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 2khw h VAL 80 CO -0.47 0.71 -0.04 -0.61 0.02 0.00 0.00 177.57 177.17 2khw h GLN 81 N 0.01 -0.12 -0.29 1.57 4.15 0.21 -1.54 115.11 119.10 2khw h GLN 81 Ca -0.01 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.44 2khw h GLN 81 Cb 1.30 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.99 2khw h GLN 81 CO 0.10 -0.05 0.13 0.87 -1.93 0.00 0.00 178.83 177.95 2khw h LYS 82 N -0.16 0.27 -0.98 1.69 1.79 -0.52 0.41 116.57 119.06 2khw h LYS 82 Ca -0.01 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.50 2khw h LYS 82 Cb 0.13 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.66 2khw h LYS 82 CO 0.02 0.18 0.64 0.93 -1.08 0.00 0.00 179.45 180.14 2khw h GLU 83 N 0.27 1.14 -0.10 3.15 5.08 -1.29 0.37 114.58 123.21 2khw h GLU 83 Ca 0.12 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 2khw h GLU 83 Cb 0.06 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 2khw h GLU 83 CO -0.10 0.76 -0.74 -0.07 -1.00 0.00 0.00 179.01 177.86 2khw h LEU 84 N 1.18 0.59 -0.40 1.33 3.38 -0.69 -2.32 115.31 118.38 2khw h LEU 84 Ca 0.41 -0.39 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 2khw h LEU 84 Cb 0.11 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2khw h LEU 84 CO -0.15 1.14 -0.48 -0.07 0.09 0.00 0.00 178.44 178.97 2khw h LEU 85 N 0.34 0.89 -1.40 1.67 3.38 -0.13 -1.91 115.31 118.15 2khw h LEU 85 Ca -0.03 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 2khw h LEU 85 Cb 1.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2khw h LEU 85 CO 0.13 1.22 -0.03 0.00 0.09 0.00 0.00 178.44 179.86 2khw h ALA 86 N 0.80 1.52 -0.11 1.53 0.00 -0.24 0.15 119.26 122.90 2khw h ALA 86 Ca 0.03 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 2khw h ALA 86 Cb 1.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2khw h ALA 86 CO 0.11 0.35 -0.71 1.49 0.00 0.00 0.00 179.25 180.49 2khw h GLU 87 N 0.34 0.51 0.00 0.00 4.57 -1.17 0.37 114.58 119.21 2khw h GLU 87 Ca 0.08 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 2khw h GLU 87 Cb 0.28 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2khw h GLU 87 CO 0.01 1.03 0.00 -1.49 -1.18 0.00 0.00 179.01 177.38 2khw h TRP 88 N 0.36 0.00 0.08 0.92 6.55 -0.58 -2.85 115.95 120.43 2khw h TRP 88 Ca -0.03 0.00 -0.36 0.00 0.95 0.00 0.00 58.89 59.45 2khw h TRP 88 Cb 1.29 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 29.56 2khw h TRP 88 CO 0.05 0.00 -2.03 1.63 -1.05 0.00 0.00 178.44 177.04 2khw n LYS 89 N -2.88 0.71 -0.24 0.49 5.02 0.44 -0.24 118.16 121.46 2khw n LYS 89 Ca 0.03 0.28 -0.04 0.00 -2.02 0.00 0.00 58.31 56.55 2khw n LYS 89 Cb 0.41 -1.67 0.07 0.00 -0.02 0.00 0.00 35.03 33.82 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 -0.11 0.84 0.12 1.97 0.11 -0.29 -2.90 114.38 114.12 2khw h ARG 90 Ca -0.46 -0.05 -0.34 0.00 0.10 0.00 0.00 59.98 59.23 2khw h ARG 90 Cb 1.91 -0.19 -0.02 0.00 1.11 0.00 0.00 29.97 32.78 2khw h ARG 90 CO -0.00 0.55 -1.81 0.00 0.10 0.00 0.00 179.97 178.81 2khw h THR 91 N 0.86 0.82 0.00 0.08 1.03 -1.67 -3.51 112.91 110.53 2khw h THR 91 Ca 0.26 -2.52 0.00 0.00 -0.01 0.00 0.00 66.41 64.14 2khw h THR 91 Cb -0.03 2.59 0.00 0.00 -1.07 0.00 0.00 68.15 69.65 2khw h THR 91 CO -0.09 0.81 0.00 0.61 -0.01 0.00 0.00 175.52 176.84