#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 0.00 -3.20 5.87 0.00 -2.10 -3.48 103.07 100.16 2kkg h GLY 58 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 2kkg h GLY 58 CO 0.00 0.00 -0.85 0.61 0.00 0.00 0.00 176.54 176.30 2kkg n GLN 59 N -4.25 -2.92 -1.36 4.80 10.64 -1.26 -4.85 117.38 118.18 2kkg n GLN 59 Ca 0.00 2.31 -0.33 0.00 -1.83 0.00 0.00 57.00 57.15 2kkg n GLN 59 Cb 0.22 -3.18 0.10 0.00 -0.86 0.00 0.00 30.24 26.52 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 -4.85 2.11 -0.17 2.61 0.04 -1.26 -4.98 135.00 128.49 2kkg s PRO 60 Ca 0.00 1.59 0.15 0.00 0.04 0.00 0.00 61.00 62.78 2kkg s PRO 60 Cb 0.00 -1.85 -0.21 0.00 0.04 0.00 0.00 34.50 32.48 2kkg s PRO 60 CO 0.00 -1.82 0.05 1.58 0.04 0.00 0.00 177.00 176.85 2kkg n HIS 61 N -2.98 0.00 0.00 0.56 -0.00 -1.26 -4.90 115.22 106.64 2kkg n HIS 61 Ca 0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.30 2kkg n HIS 61 Cb 0.51 -0.85 0.00 0.00 -0.12 0.00 0.00 29.99 29.53 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 1.95 0.00 0.00 1.57 0.00 -1.26 -5.03 105.19 102.42 2kkg n GLY 62 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.14 105.19 105.76 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 0.95 0.41 -0.02 0.00 -1.26 -4.93 105.19 100.34 2kkg n GLY 64 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.19 0.02 1.61 4.27 -1.26 -4.53 117.44 117.35 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 0.10 -0.09 0.00 -1.36 0.00 0.00 31.31 29.96 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 0.29 -0.54 3.72 -1.67 0.00 -1.26 -5.02 105.19 100.71 2kkg n GLY 66 Ca 0.00 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.81 2.21 0.33 1.61 -2.07 -1.26 -4.93 119.66 112.73 2kkg s GLN 67 Ca -0.04 1.87 -0.29 0.00 -1.82 0.00 0.00 55.36 55.08 2kkg s GLN 67 Cb 0.08 -1.83 -0.11 0.00 -1.09 0.00 0.00 33.01 30.06 2kkg s GLN 67 CO 0.50 -1.81 1.49 -1.25 -1.32 0.00 0.00 175.29 172.91 2kkg s PRO 68 N -3.75 4.17 0.00 9.60 0.04 -1.26 -4.93 135.00 138.87 2kkg s PRO 68 Ca 0.77 2.49 0.08 0.00 0.04 0.00 0.00 61.00 64.37 2kkg s PRO 68 Cb -0.32 -3.02 0.16 0.00 0.04 0.00 0.00 34.50 31.36 2kkg s PRO 68 CO 0.44 -0.50 1.01 1.58 0.04 0.00 0.00 177.00 179.57 2kkg n HIS 69 N 1.31 0.20 -1.99 0.56 -0.00 -1.26 -4.73 115.22 109.31 2kkg n HIS 69 Ca 0.04 -0.31 -0.01 0.00 0.46 0.00 0.00 57.72 57.90 2kkg n HIS 69 Cb 0.39 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.24 2kkg n HIS 69 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kkg n GLY 70 N 0.30 -0.20 0.00 1.57 0.00 -1.26 -5.08 105.19 100.52 2kkg n GLY 70 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.17 0.38 6.52 -0.02 0.00 -1.26 -5.06 105.19 105.57 2kkg n GLY 71 Ca -0.07 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.92 0.44 -0.02 0.00 -1.26 -4.99 105.19 98.44 2kkg n GLY 72 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.01 -0.13 -0.03 1.61 4.27 -1.26 -4.34 117.44 115.54 2kkg n TRP 73 Ca 0.00 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.65 2kkg n TRP 73 Cb 0.05 0.11 -0.14 0.00 -1.36 0.00 0.00 31.31 29.97 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 0.58 -0.83 3.73 -1.67 0.00 -1.26 -4.99 105.19 100.75 2kkg n GLY 74 Ca 0.00 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.00 2.54 0.77 1.61 -2.07 -1.26 -4.97 119.66 113.28 2kkg s GLN 75 Ca -0.07 1.90 -0.14 0.00 -1.82 0.00 0.00 55.36 55.23 2kkg s GLN 75 Cb 0.10 -1.86 0.06 0.00 -1.09 0.00 0.00 33.01 30.21 2kkg s GLN 75 CO 0.74 -1.56 1.19 -1.25 -1.32 0.00 0.00 175.29 173.08 2kkg s PRO 76 N -3.53 1.93 -0.10 9.60 0.04 -1.26 -4.98 135.00 136.70 2kkg s PRO 76 Ca 0.79 1.70 0.09 0.00 0.04 0.00 0.00 61.00 63.62 2kkg s PRO 76 Cb -0.33 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.26 2kkg s PRO 76 CO 0.39 -1.98 0.04 -2.39 0.04 0.00 0.00 177.00 173.10 2kkg n HIS 77 N -3.04 0.00 -0.02 0.56 1.44 -1.26 -4.86 115.22 108.04 2kkg n HIS 77 Ca 0.13 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.78 2kkg n HIS 77 Cb 0.51 -0.52 -0.02 0.00 0.12 0.00 0.00 29.99 30.08 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 2.34 -0.21 1.04 -1.39 0.00 -1.26 -4.99 105.19 100.72 2kkg n GLY 78 Ca -0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 2.60 0.12 0.00 -0.02 0.00 -1.26 -5.16 105.19 101.48 2kkg n GLY 79 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.17 0.95 0.40 -0.02 0.00 -1.26 -5.06 105.19 100.03 2kkg n GLY 80 Ca -0.13 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 8.44 -0.14 -0.01 1.61 4.27 -1.26 -4.34 117.44 126.00 2kkg n TRP 81 Ca 0.00 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.70 2kkg n TRP 81 Cb 0.00 0.10 -0.15 0.00 -1.36 0.00 0.00 31.31 29.90 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 0.48 -0.87 3.67 -1.67 0.00 -1.26 -5.00 105.19 100.55 2kkg n GLY 82 Ca 0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.17 0.48 -1.53 1.61 10.64 -1.26 -4.95 117.38 120.20 2kkg n GLN 83 Ca -0.04 0.23 -0.34 0.00 -1.83 0.00 0.00 57.00 55.02 2kkg n GLN 83 Cb 0.51 -2.38 0.08 0.00 -0.86 0.00 0.00 30.24 27.59 2kkg n GLN 83 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2kkg s PRO 84 N -3.70 2.32 -0.11 2.61 0.04 -1.26 -4.98 135.00 129.92 2kkg s PRO 84 Ca 0.75 1.68 0.10 0.00 0.04 0.00 0.00 61.00 63.57 2kkg s PRO 84 Cb -0.33 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 2kkg s PRO 84 CO 0.48 -1.68 0.04 1.58 0.04 0.00 0.00 177.00 177.47 2kkg n HIS 85 N -2.60 0.00 -0.03 0.56 -0.00 -1.26 -4.86 115.22 107.03 2kkg n HIS 85 Ca 0.13 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.26 2kkg n HIS 85 Cb 0.51 -0.55 -0.01 0.00 -0.12 0.00 0.00 29.99 29.81 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 2.30 -0.31 0.92 1.57 0.00 -1.26 -4.99 105.19 103.42 2kkg n GLY 86 Ca -0.18 -0.16 -0.04 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 2.33 0.21 0.00 -0.02 0.00 -1.26 -5.16 105.19 101.30 2kkg n GLY 87 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.06 0.84 0.13 -0.02 0.00 -1.26 -5.08 105.19 99.73 2kkg n GLY 88 Ca -0.18 -1.99 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 6.89 -0.05 -2.09 1.61 4.27 -1.26 -4.46 117.44 122.35 2kkg n TRP 89 Ca 0.00 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.62 2kkg n TRP 89 Cb 0.00 0.03 0.01 0.00 -1.36 0.00 0.00 31.31 29.99 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 0.40 0.82 0.00 -1.67 0.00 -1.26 -5.20 105.19 98.28 2kkg n GLY 90 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.81 2kkg n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26