#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkg h GLY 58 N 0.00 1.31 -3.15 5.87 0.00 -2.10 -3.49 103.07 101.51 2kkg h GLY 58 Ca 0.00 -0.51 0.13 0.00 0.00 0.00 0.00 47.33 46.96 2kkg h GLY 58 CO 0.00 0.50 -0.86 0.61 0.00 0.00 0.00 176.54 176.79 2kkg n GLN 59 N -4.42 -2.84 -2.37 4.80 10.64 -1.26 -4.82 117.38 117.12 2kkg n GLN 59 Ca 0.10 2.26 -0.39 0.00 -1.83 0.00 0.00 57.00 57.14 2kkg n GLN 59 Cb 0.03 -3.14 -0.03 0.00 -0.86 0.00 0.00 30.24 26.24 2kkg n GLN 59 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2kkg s PRO 60 N -4.81 4.31 -0.05 2.61 0.04 -1.26 -4.97 135.00 130.88 2kkg s PRO 60 Ca 0.00 1.83 0.11 0.00 0.04 0.00 0.00 61.00 62.98 2kkg s PRO 60 Cb 0.00 -2.89 -0.23 0.00 0.04 0.00 0.00 34.50 31.42 2kkg s PRO 60 CO 0.00 -0.09 0.63 1.58 0.04 0.00 0.00 177.00 179.15 2kkg n HIS 61 N 0.53 1.02 0.00 0.56 -0.00 -1.26 -4.72 115.22 111.36 2kkg n HIS 61 Ca 0.02 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.55 2kkg n HIS 61 Cb 0.46 -1.18 0.00 0.00 -0.12 0.00 0.00 29.99 29.14 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 1.60 0.00 3.06 1.57 0.00 -1.26 -5.07 105.19 105.10 2kkg n GLY 62 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.88 2kkg n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kkg s GLY 63 N -3.97 -1.05 0.03 -0.02 0.00 -1.26 -5.15 107.32 95.90 2kkg s GLY 63 Ca 0.00 2.00 0.00 0.00 0.00 0.00 0.00 44.72 46.72 2kkg s GLY 63 CO 0.00 4.18 0.00 0.61 0.00 0.00 0.00 173.10 177.89 2kkg n GLY 64 N 4.77 -0.98 0.64 0.20 0.00 -1.26 -4.99 105.19 103.56 2kkg n GLY 64 Ca 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.16 -0.31 0.01 1.61 4.27 -1.26 -4.55 117.44 115.05 2kkg n TRP 65 Ca 0.00 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.68 2kkg n TRP 65 Cb 0.06 0.16 -0.10 0.00 -1.36 0.00 0.00 31.31 30.07 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 0.24 -0.58 3.67 -1.67 0.00 -1.26 -5.02 105.19 100.57 2kkg n GLY 66 Ca 0.00 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.93 0.43 -2.08 1.61 10.64 -1.26 -4.94 117.38 119.84 2kkg n GLN 67 Ca -0.02 0.21 -0.35 0.00 -1.83 0.00 0.00 57.00 55.01 2kkg n GLN 67 Cb 0.33 -2.37 0.02 0.00 -0.86 0.00 0.00 30.24 27.36 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 -3.72 3.14 -0.13 2.61 0.04 -1.26 -4.98 135.00 130.69 2kkg s PRO 68 Ca 0.74 1.58 0.14 0.00 0.04 0.00 0.00 61.00 63.50 2kkg s PRO 68 Cb -0.32 -1.98 -0.24 0.00 0.04 0.00 0.00 34.50 32.00 2kkg s PRO 68 CO 0.49 -1.01 0.32 -2.39 0.04 0.00 0.00 177.00 174.45 2kkg n HIS 69 N -1.65 0.48 -2.16 0.56 1.44 -1.26 -4.68 115.22 107.96 2kkg n HIS 69 Ca 0.12 0.17 -0.02 0.00 -2.01 0.00 0.00 57.72 55.97 2kkg n HIS 69 Cb 0.51 -1.09 -0.03 0.00 0.12 0.00 0.00 29.99 29.51 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 1.71 0.73 0.00 -1.39 0.00 -1.26 -5.10 105.19 99.88 2kkg n GLY 70 Ca -0.27 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.16 -0.97 0.00 -0.02 0.00 -1.26 -5.16 105.19 97.93 2kkg n GLY 71 Ca -0.11 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 6.65 0.40 -0.02 0.00 -1.26 -4.61 105.19 106.35 2kkg n GLY 72 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.19 0.20 1.61 4.27 -1.26 -4.63 117.44 117.44 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 0.10 -0.06 0.00 -1.36 0.00 0.00 31.31 29.99 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 -0.16 3.61 -1.67 0.00 -1.26 -5.03 105.19 100.93 2kkg n GLY 74 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.54 0.39 -1.09 1.61 10.64 -1.26 -4.97 117.38 121.17 2kkg n GLN 75 Ca -0.00 0.19 -0.31 0.00 -1.83 0.00 0.00 57.00 55.06 2kkg n GLN 75 Cb 0.20 -2.23 0.12 0.00 -0.86 0.00 0.00 30.24 27.47 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 -3.49 1.66 -0.11 2.61 0.04 -1.26 -5.00 135.00 129.46 2kkg s PRO 76 Ca 0.72 1.18 0.09 0.00 0.04 0.00 0.00 61.00 63.03 2kkg s PRO 76 Cb -0.33 -1.83 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 2kkg s PRO 76 CO 0.52 -2.06 0.03 1.58 0.04 0.00 0.00 177.00 177.10 2kkg n HIS 77 N -3.81 0.00 -2.13 0.56 -0.00 -1.26 -4.72 115.22 103.86 2kkg n HIS 77 Ca 0.09 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.31 2kkg n HIS 77 Cb 0.53 -0.53 0.06 0.00 -0.12 0.00 0.00 29.99 29.93 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 2.36 1.88 0.00 1.57 0.00 -1.26 -5.04 105.19 104.69 2kkg n GLY 78 Ca -0.18 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.03 0.54 6.51 -0.02 0.00 -1.26 -5.06 105.19 105.87 2kkg n GLY 79 Ca 0.08 -0.73 0.02 0.00 0.00 0.00 0.00 46.02 45.38 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 0.20 -0.95 0.22 -0.02 0.00 -1.26 -4.99 105.19 98.39 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 -2.09 -0.10 -0.63 1.61 4.27 -1.26 -4.42 117.44 114.83 2kkg n TRP 81 Ca 0.00 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.67 2kkg n TRP 81 Cb 0.06 0.06 0.08 0.00 -1.36 0.00 0.00 31.31 30.14 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 4.11 3.85 -1.67 0.00 -1.26 -5.05 105.19 105.51 2kkg n GLY 82 Ca 0.00 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.11 3.91 0.79 1.61 -2.07 -1.26 -5.04 119.66 115.49 2kkg s GLN 83 Ca 0.19 0.80 -0.13 0.00 -1.82 0.00 0.00 55.36 54.40 2kkg s GLN 83 Cb 0.17 -2.23 0.07 0.00 -1.09 0.00 0.00 33.01 29.93 2kkg s GLN 83 CO 0.02 -0.17 1.18 -1.25 -1.32 0.00 0.00 175.29 173.74 2kkg s PRO 84 N -3.93 1.83 -0.11 9.60 0.04 -1.26 -4.98 135.00 136.19 2kkg s PRO 84 Ca 0.56 1.63 0.09 0.00 0.04 0.00 0.00 61.00 63.32 2kkg s PRO 84 Cb -0.10 -1.81 -0.13 0.00 0.04 0.00 0.00 34.50 32.50 2kkg s PRO 84 CO 0.30 -2.04 0.02 1.58 0.04 0.00 0.00 177.00 176.90 2kkg n HIS 85 N -3.24 0.00 -0.03 0.56 -0.00 -1.26 -4.87 115.22 106.38 2kkg n HIS 85 Ca 0.12 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.26 2kkg n HIS 85 Cb 0.51 -0.53 -0.01 0.00 -0.12 0.00 0.00 29.99 29.84 2kkg n HIS 85 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kkg n GLY 86 N 2.39 -0.32 0.87 1.57 0.00 -1.26 -4.99 105.19 103.46 2kkg n GLY 86 Ca -0.18 -0.16 -0.05 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 2.31 0.22 0.00 -0.02 0.00 -1.26 -5.15 105.19 101.28 2kkg n GLY 87 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.01 0.87 0.42 -0.02 0.00 -1.26 -5.08 105.19 100.11 2kkg n GLY 88 Ca -0.20 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 7.25 -0.18 -1.54 1.61 4.27 -1.26 -4.43 117.44 123.16 2kkg n TRP 89 Ca 0.00 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.64 2kkg n TRP 89 Cb 0.00 0.10 0.04 0.00 -1.36 0.00 0.00 31.31 30.10 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 0.35 1.64 0.43 -1.67 0.00 -1.26 -5.20 105.19 99.47 2kkg n GLY 90 Ca 0.00 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.82 2kkg n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93