#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 -0.16 -3.23 5.87 0.00 -2.10 -3.49 103.07 99.97 2kkg h GLY 58 Ca 0.00 0.07 0.32 0.00 0.00 0.00 0.00 47.33 47.72 2kkg h GLY 58 CO 0.00 -0.06 -0.99 0.61 0.00 0.00 0.00 176.54 176.10 2kkg n GLN 59 N -5.17 -2.92 -2.20 4.80 10.64 -1.26 -4.71 117.38 116.57 2kkg n GLN 59 Ca -0.08 2.29 -0.42 0.00 -1.83 0.00 0.00 57.00 56.96 2kkg n GLN 59 Cb 0.10 -3.51 -0.03 0.00 -0.86 0.00 0.00 30.24 25.94 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 -3.85 4.29 0.00 2.61 0.04 -1.26 -4.91 135.00 131.92 2kkg s PRO 60 Ca 0.00 2.01 0.18 0.00 0.04 0.00 0.00 61.00 63.23 2kkg s PRO 60 Cb 0.00 -3.51 0.62 0.00 0.04 0.00 0.00 34.50 31.65 2kkg s PRO 60 CO 0.00 -0.55 1.46 0.72 0.04 0.00 0.00 177.00 178.67 2kkg n HIS 61 N 5.08 0.30 0.00 0.56 8.25 -1.26 -4.47 115.22 123.67 2kkg n HIS 61 Ca 0.13 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2kkg n HIS 61 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2kkg n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kkg n GLY 62 N 1.12 0.00 0.00 -1.41 0.00 -1.26 -5.10 105.19 98.54 2kkg n GLY 62 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.30 0.00 -0.02 0.00 -1.26 -5.13 105.19 98.47 2kkg n GLY 63 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 5.26 0.28 -0.02 0.00 -1.26 -4.73 105.19 104.71 2kkg n GLY 64 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.12 -0.44 1.61 4.27 -1.26 -4.61 117.44 116.90 2kkg n TRP 65 Ca 0.00 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.65 2kkg n TRP 65 Cb 0.00 0.07 0.07 0.00 -1.36 0.00 0.00 31.31 30.09 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 0.33 3.71 3.83 -1.67 0.00 -1.26 -5.05 105.19 105.09 2kkg n GLY 66 Ca 0.00 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.75 3.82 0.88 1.61 -2.07 -1.26 -5.04 119.66 115.85 2kkg s GLN 67 Ca 0.15 1.03 -0.10 0.00 -1.82 0.00 0.00 55.36 54.61 2kkg s GLN 67 Cb 0.12 -2.11 0.12 0.00 -1.09 0.00 0.00 33.01 30.05 2kkg s GLN 67 CO 0.02 -0.39 1.12 -1.25 -1.32 0.00 0.00 175.29 173.48 2kkg s PRO 68 N -4.01 1.32 -0.31 9.60 0.04 -1.26 -5.02 135.00 135.36 2kkg s PRO 68 Ca 0.60 1.36 0.01 0.00 0.04 0.00 0.00 61.00 63.02 2kkg s PRO 68 Cb -0.11 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 32.72 2kkg s PRO 68 CO 0.31 -2.36 -0.01 -3.38 0.04 0.00 0.00 177.00 171.61 2kkg s HIS 69 N -2.73 3.43 0.00 0.56 -3.43 -1.25 -4.65 115.29 107.22 2kkg s HIS 69 Ca 0.65 -2.40 0.00 0.00 -0.80 0.00 0.00 55.06 52.51 2kkg s HIS 69 Cb -0.21 -2.37 0.00 0.00 -1.43 0.00 0.00 32.58 28.57 2kkg s HIS 69 CO 0.58 -0.89 0.00 0.41 -2.00 0.00 0.00 174.74 172.84 2kkg n GLY 70 N 4.45 3.04 0.00 -1.38 0.00 -1.26 -4.76 105.19 105.28 2kkg n GLY 70 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.70 0.50 7.00 -0.02 0.00 -1.26 -5.14 105.19 105.58 2kkg n GLY 71 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.94 0.18 -0.02 0.00 -1.26 -4.94 105.19 100.10 2kkg n GLY 72 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.02 -0.45 1.61 4.27 -1.26 -3.75 117.44 117.85 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 0.05 0.10 0.00 -1.36 0.00 0.00 31.31 30.10 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 0.91 3.58 3.89 -1.67 0.00 -1.26 -5.03 105.19 105.61 2kkg n GLY 74 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.73 3.70 0.53 1.61 -2.07 -1.26 -4.99 119.66 115.45 2kkg s GLN 75 Ca 0.18 0.22 -0.21 0.00 -1.82 0.00 0.00 55.36 53.74 2kkg s GLN 75 Cb 0.14 -2.53 -0.05 0.00 -1.09 0.00 0.00 33.01 29.47 2kkg s GLN 75 CO 0.05 0.11 1.20 -1.25 -1.32 0.00 0.00 175.29 174.08 2kkg s PRO 76 N -3.65 3.33 0.00 9.60 0.04 -1.26 -4.95 135.00 138.11 2kkg s PRO 76 Ca 0.47 1.82 0.22 0.00 0.04 0.00 0.00 61.00 63.55 2kkg s PRO 76 Cb -0.11 -2.14 0.51 0.00 0.04 0.00 0.00 34.50 32.81 2kkg s PRO 76 CO 0.30 -0.92 1.44 1.58 0.04 0.00 0.00 177.00 179.45 2kkg n HIS 77 N -1.10 0.55 0.00 0.56 -0.00 -1.26 -4.74 115.22 109.22 2kkg n HIS 77 Ca 0.11 -0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.01 2kkg n HIS 77 Cb 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 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 1.45 0.00 0.00 1.57 0.00 -1.26 -5.07 105.19 101.88 2kkg n GLY 78 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -1.79 0.00 -0.02 0.00 -1.26 -5.16 105.19 96.96 2kkg n GLY 79 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 1.85 0.41 -0.02 0.00 -1.26 -4.96 105.19 101.21 2kkg n GLY 80 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -0.19 -0.01 1.61 4.27 -1.26 -4.61 117.44 117.24 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 0.00 0.10 -0.12 0.00 -1.36 0.00 0.00 31.31 29.93 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 0.27 -0.71 3.73 -1.67 0.00 -1.26 -5.00 105.19 100.55 2kkg n GLY 82 Ca 0.00 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.01 2.29 1.28 1.61 -2.07 -1.26 -5.01 119.66 113.49 2kkg s GLN 83 Ca -0.06 1.69 -0.20 0.00 -1.82 0.00 0.00 55.36 54.97 2kkg s GLN 83 Cb 0.09 -1.86 0.32 0.00 -1.09 0.00 0.00 33.01 30.47 2kkg s GLN 83 CO 0.64 -1.71 1.04 -1.25 -1.32 0.00 0.00 175.29 172.69 2kkg s PRO 84 N -3.93 -1.83 -0.21 9.60 0.04 -1.26 -5.00 135.00 132.40 2kkg s PRO 84 Ca 0.73 0.06 0.16 0.00 0.04 0.00 0.00 61.00 61.99 2kkg s PRO 84 Cb -0.27 -1.51 -0.24 0.00 0.04 0.00 0.00 34.50 32.51 2kkg s PRO 84 CO 0.44 -4.14 0.04 -2.39 0.04 0.00 0.00 177.00 170.99 2kkg n HIS 85 N -5.09 0.00 -1.93 0.56 1.44 -1.26 -4.79 115.22 104.16 2kkg n HIS 85 Ca 0.12 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.78 2kkg n HIS 85 Cb 0.59 -1.00 -0.05 0.00 0.12 0.00 0.00 29.99 29.65 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 1.80 0.43 0.00 -1.39 0.00 -1.26 -5.08 105.19 99.68 2kkg n GLY 86 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -1.68 0.00 -0.02 0.00 -1.26 -5.16 105.19 97.07 2kkg n GLY 87 Ca -0.21 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 5.38 0.40 -0.02 0.00 -1.26 -4.71 105.19 104.97 2kkg n GLY 88 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.19 -1.45 1.61 4.27 -1.26 -4.52 117.44 115.90 2kkg n TRP 89 Ca 0.00 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.63 2kkg n TRP 89 Cb 0.00 0.10 0.02 0.00 -1.36 0.00 0.00 31.31 30.07 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 0.24 0.65 0.00 -1.67 0.00 -1.26 -5.20 105.19 97.95 2kkg n GLY 90 Ca 0.00 -0.20 0.00 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