#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkg n GLY 58 N 0.00 -0.03 3.16 5.87 0.00 -1.26 -5.09 105.19 107.84 2kkg n GLY 58 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2kkg n GLY 58 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kkg s GLN 59 N -2.02 0.65 0.63 1.61 -2.07 -1.26 -5.15 119.66 112.04 2kkg s GLN 59 Ca -0.01 -0.63 -0.17 0.00 -1.82 0.00 0.00 55.36 52.73 2kkg s GLN 59 Cb 0.00 0.27 -0.01 0.00 -1.09 0.00 0.00 33.01 32.18 2kkg s GLN 59 CO 0.03 -0.18 1.15 -1.25 -1.32 0.00 0.00 175.29 173.73 2kkg s PRO 60 N -2.43 2.84 -0.17 9.60 0.04 -1.26 -4.98 135.00 138.64 2kkg s PRO 60 Ca -0.06 1.59 0.16 0.00 0.04 0.00 0.00 61.00 62.73 2kkg s PRO 60 Cb -0.02 -1.94 -0.24 0.00 0.04 0.00 0.00 34.50 32.34 2kkg s PRO 60 CO -0.03 -1.25 0.17 -2.39 0.04 0.00 0.00 177.00 173.53 2kkg n HIS 61 N -2.05 0.20 -2.07 0.56 1.44 -1.26 -4.83 115.22 107.21 2kkg n HIS 61 Ca 0.12 0.07 -0.01 0.00 -2.01 0.00 0.00 57.72 55.88 2kkg n HIS 61 Cb 0.51 -1.04 0.01 0.00 0.12 0.00 0.00 29.99 29.59 2kkg n HIS 61 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kkg n GLY 62 N 1.75 -0.15 0.34 -1.39 0.00 -1.26 -5.06 105.19 99.41 2kkg n GLY 62 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2kkg n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 63 N -0.22 -2.18 0.00 -0.02 0.00 -1.26 -5.18 105.19 96.34 2kkg n GLY 63 Ca -0.07 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2kkg n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 64 N -1.12 0.81 0.44 -0.02 0.00 -1.26 -5.00 105.19 99.04 2kkg n GLY 64 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2kkg n GLY 64 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kkg n TRP 65 N 0.00 -0.18 -0.02 1.61 4.27 -1.26 -4.60 117.44 117.26 2kkg n TRP 65 Ca 0.00 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.68 2kkg n TRP 65 Cb 0.00 0.11 -0.14 0.00 -1.36 0.00 0.00 31.31 29.92 2kkg n TRP 65 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2kkg n GLY 66 N 0.38 -0.81 3.74 -1.67 0.00 -1.26 -5.00 105.19 100.57 2kkg n GLY 66 Ca 0.00 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 2kkg n GLY 66 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kkg s GLN 67 N -3.13 2.36 0.25 1.61 -2.07 -1.26 -4.92 119.66 112.51 2kkg s GLN 67 Ca -0.07 1.65 -0.30 0.00 -1.82 0.00 0.00 55.36 54.82 2kkg s GLN 67 Cb 0.11 -1.87 -0.09 0.00 -1.09 0.00 0.00 33.01 30.06 2kkg s GLN 67 CO 0.73 -1.64 1.29 -1.25 -1.32 0.00 0.00 175.29 173.10 2kkg s PRO 68 N -3.95 4.40 -0.08 9.60 0.04 -1.26 -4.95 135.00 138.80 2kkg s PRO 68 Ca 0.72 2.09 0.14 0.00 0.04 0.00 0.00 61.00 63.99 2kkg s PRO 68 Cb -0.26 -3.15 -0.24 0.00 0.04 0.00 0.00 34.50 30.89 2kkg s PRO 68 CO 0.44 -0.18 0.51 -2.39 0.04 0.00 0.00 177.00 175.41 2kkg n HIS 69 N 1.86 0.75 0.00 0.56 1.44 -1.26 -4.69 115.22 113.87 2kkg n HIS 69 Ca 0.03 0.27 0.00 0.00 -2.01 0.00 0.00 57.72 56.01 2kkg n HIS 69 Cb 0.43 -1.14 0.00 0.00 0.12 0.00 0.00 29.99 29.40 2kkg n HIS 69 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kkg n GLY 70 N 1.61 0.00 0.00 -1.39 0.00 -1.26 -5.08 105.19 99.07 2kkg n GLY 70 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2kkg n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 71 N 3.12 -0.35 0.00 -0.02 0.00 -1.26 -5.18 105.19 101.49 2kkg n GLY 71 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2kkg n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 72 N 0.11 5.93 0.50 -0.02 0.00 -1.26 -4.64 105.19 105.81 2kkg n GLY 72 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2kkg n GLY 72 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kkg n TRP 73 N 0.00 -0.23 0.02 1.61 4.27 -1.26 -4.59 117.44 117.26 2kkg n TRP 73 Ca 0.00 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.71 2kkg n TRP 73 Cb 0.00 0.13 -0.15 0.00 -1.36 0.00 0.00 31.31 29.92 2kkg n TRP 73 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2kkg n GLY 74 N 0.29 -0.91 3.68 -1.67 0.00 -1.26 -4.99 105.19 100.33 2kkg n GLY 74 Ca 0.00 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 2kkg n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLN 75 N -2.17 0.47 -1.68 1.61 10.64 -1.26 -4.96 117.38 120.03 2kkg n GLN 75 Ca -0.03 0.23 -0.34 0.00 -1.83 0.00 0.00 57.00 55.02 2kkg n GLN 75 Cb 0.51 -2.40 0.06 0.00 -0.86 0.00 0.00 30.24 27.55 2kkg n GLN 75 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2kkg s PRO 76 N -3.76 2.58 -0.11 2.61 0.04 -1.26 -4.98 135.00 130.13 2kkg s PRO 76 Ca 0.75 1.57 0.09 0.00 0.04 0.00 0.00 61.00 63.46 2kkg s PRO 76 Cb -0.32 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.18 2kkg s PRO 76 CO 0.48 -1.45 0.03 -2.39 0.04 0.00 0.00 177.00 173.71 2kkg n HIS 77 N -2.42 0.00 -2.00 0.56 1.44 -1.26 -4.70 115.22 106.85 2kkg n HIS 77 Ca 0.12 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.87 2kkg n HIS 77 Cb 0.51 -0.52 0.08 0.00 0.12 0.00 0.00 29.99 30.18 2kkg n HIS 77 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kkg n GLY 78 N 2.36 2.51 0.00 -1.39 0.00 -1.26 -5.04 105.19 102.37 2kkg n GLY 78 Ca -0.18 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2kkg n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 79 N -0.26 0.55 6.52 -0.02 0.00 -1.26 -5.06 105.19 105.66 2kkg n GLY 79 Ca 0.10 -0.77 0.02 0.00 0.00 0.00 0.00 46.02 45.36 2kkg n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 80 N 0.50 -0.95 0.60 -0.02 0.00 -1.26 -4.99 105.19 99.07 2kkg n GLY 80 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2kkg n GLY 80 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kkg n TRP 81 N -2.07 -0.26 -0.01 1.61 4.27 -1.26 -4.42 117.44 115.30 2kkg n TRP 81 Ca 0.00 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.68 2kkg n TRP 81 Cb 0.05 0.15 -0.13 0.00 -1.36 0.00 0.00 31.31 30.02 2kkg n TRP 81 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2kkg n GLY 82 N 0.34 -0.79 3.67 -1.67 0.00 -1.26 -5.00 105.19 100.48 2kkg n GLY 82 Ca 0.00 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2kkg n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLN 83 N -2.14 0.48 -0.66 1.61 10.64 -1.26 -4.96 117.38 121.09 2kkg n GLN 83 Ca -0.05 0.23 -0.31 0.00 -1.83 0.00 0.00 57.00 55.04 2kkg n GLN 83 Cb 0.50 -2.39 0.18 0.00 -0.86 0.00 0.00 30.24 27.66 2kkg n GLN 83 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 2kkg n PRO 84 N -2.55 -0.63 -0.04 2.61 -0.04 -1.26 -4.99 135.00 128.11 2kkg n PRO 84 Ca 0.14 -0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 2kkg n PRO 84 Cb 0.50 -2.35 -0.05 0.00 -0.04 0.00 0.00 33.50 31.56 2kkg n PRO 84 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2kkg n HIS 85 N -4.31 0.00 -1.08 0.54 1.44 -1.26 -4.67 115.22 105.88 2kkg n HIS 85 Ca 0.11 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.91 2kkg n HIS 85 Cb 0.52 -0.34 0.18 0.00 0.12 0.00 0.00 29.99 30.47 2kkg n HIS 85 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kkg n GLY 86 N 2.62 4.62 0.00 -1.39 0.00 -1.26 -4.92 105.19 104.86 2kkg n GLY 86 Ca -0.12 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2kkg n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 87 N -1.11 1.05 0.00 -0.02 0.00 -1.26 -5.03 105.19 98.82 2kkg n GLY 87 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2kkg n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 88 N -1.74 -1.48 2.13 -0.02 0.00 -1.26 -5.02 105.19 97.80 2kkg n GLY 88 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2kkg n GLY 88 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kkg n TRP 89 N 7.56 -3.84 0.00 1.61 4.27 -1.26 -4.13 117.44 121.65 2kkg n TRP 89 Ca 0.00 1.14 0.00 0.00 -3.89 0.00 0.00 57.50 54.75 2kkg n TRP 89 Cb 0.00 2.56 0.00 0.00 -1.36 0.00 0.00 31.31 32.51 2kkg n TRP 89 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2kkg n GLY 90 N -0.12 -0.13 2.44 -1.67 0.00 -1.26 -5.19 105.19 99.26 2kkg n GLY 90 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2kkg n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26