#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 -2.72 3.88 5.87 0.00 -1.26 -4.79 105.19 106.18 2kkg n GLY 58 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.95 3.78 0.61 1.61 -2.07 -1.26 -5.02 119.66 115.36 2kkg s GLN 59 Ca 0.00 0.40 -0.18 0.00 -1.82 0.00 0.00 55.36 53.76 2kkg s GLN 59 Cb 0.00 -2.46 -0.03 0.00 -1.09 0.00 0.00 33.01 29.44 2kkg s GLN 59 CO 0.00 0.06 1.21 -1.25 -1.32 0.00 0.00 175.29 173.99 2kkg s PRO 60 N -3.61 2.85 0.00 9.60 0.04 -1.26 -4.95 135.00 137.66 2kkg s PRO 60 Ca 0.50 1.83 0.20 0.00 0.04 0.00 0.00 61.00 63.57 2kkg s PRO 60 Cb -0.10 -1.91 0.41 0.00 0.04 0.00 0.00 34.50 32.93 2kkg s PRO 60 CO 0.28 -1.31 1.34 1.58 0.04 0.00 0.00 177.00 178.94 2kkg n HIS 61 N -1.75 0.53 0.00 0.56 -0.00 -1.26 -4.84 115.22 108.45 2kkg n HIS 61 Ca 0.14 -0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.00 2kkg n HIS 61 Cb 0.50 -0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 2kkg n HIS 61 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kkg n GLY 62 N 1.26 0.12 0.00 1.57 0.00 -1.26 -5.05 105.19 101.83 2kkg n GLY 62 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 7.00 -0.02 0.00 -1.26 -5.14 105.19 105.77 2kkg n GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.90 0.46 -0.02 0.00 -1.26 -4.94 105.19 100.33 2kkg n GLY 64 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.21 0.04 1.61 4.27 -1.26 -4.45 117.44 117.44 2kkg n TRP 65 Ca 0.00 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.67 2kkg n TRP 65 Cb 0.00 0.12 -0.09 0.00 -1.36 0.00 0.00 31.31 29.98 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 0.30 -0.51 3.66 -1.67 0.00 -1.26 -5.02 105.19 100.69 2kkg n GLY 66 Ca 0.00 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 2kkg n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLN 67 N -1.86 0.42 -1.25 1.61 10.64 -1.26 -4.97 117.38 120.71 2kkg n GLN 67 Ca -0.02 0.21 -0.32 0.00 -1.83 0.00 0.00 57.00 55.04 2kkg n GLN 67 Cb 0.30 -2.37 0.10 0.00 -0.86 0.00 0.00 30.24 27.42 2kkg n GLN 67 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2kkg s PRO 68 N -3.73 2.03 -0.12 2.61 0.04 -1.26 -4.99 135.00 129.58 2kkg s PRO 68 Ca 0.74 1.42 0.10 0.00 0.04 0.00 0.00 61.00 63.30 2kkg s PRO 68 Cb -0.32 -1.85 -0.14 0.00 0.04 0.00 0.00 34.50 32.22 2kkg s PRO 68 CO 0.49 -1.85 0.02 -2.39 0.04 0.00 0.00 177.00 173.32 2kkg n HIS 69 N -3.32 0.00 -2.00 0.56 1.44 -1.26 -4.68 115.22 105.96 2kkg n HIS 69 Ca 0.11 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.87 2kkg n HIS 69 Cb 0.52 -0.60 0.10 0.00 0.12 0.00 0.00 29.99 30.14 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 2.32 2.90 0.00 -1.39 0.00 -1.26 -5.04 105.19 102.72 2kkg n GLY 70 Ca -0.21 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.32 0.06 7.00 -0.02 0.00 -1.26 -5.05 105.19 105.60 2kkg n GLY 71 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.59 -0.87 0.55 -0.02 0.00 -1.26 -4.99 105.19 99.19 2kkg n GLY 72 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.89 -0.27 -0.02 1.61 4.27 -1.26 -4.42 117.44 115.46 2kkg n TRP 73 Ca 0.00 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.66 2kkg n TRP 73 Cb 0.00 0.14 -0.12 0.00 -1.36 0.00 0.00 31.31 29.96 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 0.25 -0.73 3.73 -1.67 0.00 -1.26 -5.00 105.19 100.50 2kkg n GLY 74 Ca 0.00 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 2kkg n GLY 74 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kkg s GLN 75 N -2.99 2.21 0.38 1.61 -2.07 -1.26 -4.96 119.66 112.58 2kkg s GLN 75 Ca -0.06 1.69 -0.27 0.00 -1.82 0.00 0.00 55.36 54.90 2kkg s GLN 75 Cb 0.09 -1.85 -0.09 0.00 -1.09 0.00 0.00 33.01 30.07 2kkg s GLN 75 CO 0.66 -1.76 1.26 -1.25 -1.32 0.00 0.00 175.29 172.87 2kkg s PRO 76 N -3.97 4.14 -0.14 9.60 0.04 -1.26 -4.96 135.00 138.45 2kkg s PRO 76 Ca 0.73 2.08 0.14 0.00 0.04 0.00 0.00 61.00 63.99 2kkg s PRO 76 Cb -0.27 -2.85 -0.24 0.00 0.04 0.00 0.00 34.50 31.17 2kkg s PRO 76 CO 0.45 -0.32 0.28 1.58 0.04 0.00 0.00 177.00 179.03 2kkg n HIS 77 N 0.37 0.41 0.00 0.56 -0.00 -1.26 -4.76 115.22 110.54 2kkg n HIS 77 Ca 0.02 0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.35 2kkg n HIS 77 Cb 0.44 -1.07 0.00 0.00 -0.12 0.00 0.00 29.99 29.23 2kkg n HIS 77 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kkg n GLY 78 N 1.72 0.00 2.92 1.57 0.00 -1.26 -5.06 105.19 105.08 2kkg n GLY 78 Ca -0.28 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.78 2kkg n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kkg s GLY 79 N -3.98 -1.26 0.02 -0.02 0.00 -1.26 -5.15 107.32 95.67 2kkg s GLY 79 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 44.72 46.49 2kkg s GLY 79 CO 0.00 4.27 0.00 0.61 0.00 0.00 0.00 173.10 177.98 2kkg n GLY 80 N 4.29 -1.15 0.88 0.20 0.00 -1.26 -5.00 105.19 103.16 2kkg n GLY 80 Ca 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.86 -0.45 -0.02 1.61 4.27 -1.26 -4.52 117.44 115.21 2kkg n TRP 81 Ca 0.00 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.65 2kkg n TRP 81 Cb 0.04 0.22 -0.11 0.00 -1.36 0.00 0.00 31.31 30.10 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 0.22 -0.63 3.71 -1.67 0.00 -1.26 -5.01 105.19 100.54 2kkg n GLY 82 Ca 0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 2kkg n GLY 82 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kkg s GLN 83 N -2.82 1.90 0.68 1.61 -2.07 -1.26 -4.96 119.66 112.74 2kkg s GLN 83 Ca -0.05 1.86 -0.16 0.00 -1.82 0.00 0.00 55.36 55.19 2kkg s GLN 83 Cb 0.08 -1.79 0.01 0.00 -1.09 0.00 0.00 33.01 30.21 2kkg s GLN 83 CO 0.56 -2.04 1.18 -1.25 -1.32 0.00 0.00 175.29 172.42 2kkg s PRO 84 N -3.90 2.53 -0.20 9.60 0.04 -1.26 -4.98 135.00 136.83 2kkg s PRO 84 Ca 0.76 1.66 0.15 0.00 0.04 0.00 0.00 61.00 63.61 2kkg s PRO 84 Cb -0.32 -1.89 -0.23 0.00 0.04 0.00 0.00 34.50 32.10 2kkg s PRO 84 CO 0.47 -1.51 0.02 0.72 0.04 0.00 0.00 177.00 176.74 2kkg n HIS 85 N -2.37 0.00 -0.02 0.56 8.25 -1.26 -4.70 115.22 115.68 2kkg n HIS 85 Ca 0.12 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.57 2kkg n HIS 85 Cb 0.51 -0.97 -0.03 0.00 1.12 0.00 0.00 29.99 30.62 2kkg n HIS 85 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kkg n GLY 86 N 1.88 -0.15 1.43 -1.41 0.00 -1.26 -5.05 105.19 100.62 2kkg n GLY 86 Ca -0.34 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 2.88 -1.91 0.00 -0.02 0.00 -1.26 -5.17 105.19 99.70 2kkg n GLY 87 Ca -0.06 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.49 5.41 0.65 -0.02 0.00 -1.26 -4.65 105.19 103.84 2kkg n GLY 88 Ca 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 0.00 0.00 1.61 4.27 -1.26 -4.47 117.44 117.59 2kkg n TRP 89 Ca 0.00 -0.17 0.00 0.00 -3.89 0.00 0.00 57.50 53.44 2kkg n TRP 89 Cb 0.00 0.33 0.00 0.00 -1.36 0.00 0.00 31.31 30.28 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 0.00 1.56 0.00 -1.67 0.00 -1.26 -5.16 105.19 98.66 2kkg n GLY 90 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2kkg n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93