#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 0.39 3.77 5.87 0.00 -1.26 -5.15 105.19 108.81 2kkg n GLY 58 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 2.86 0.50 1.61 -2.07 -1.26 -4.99 119.66 116.32 2kkg s GLN 59 Ca 0.00 1.45 -0.22 0.00 -1.82 0.00 0.00 55.36 54.77 2kkg s GLN 59 Cb 0.00 -1.95 -0.06 0.00 -1.09 0.00 0.00 33.01 29.90 2kkg s GLN 59 CO 0.00 -1.21 1.18 -1.25 -1.32 0.00 0.00 175.29 172.69 2kkg s PRO 60 N -3.94 3.52 -0.14 9.60 0.04 -1.26 -4.97 135.00 137.84 2kkg s PRO 60 Ca 0.68 1.80 0.14 0.00 0.04 0.00 0.00 61.00 63.66 2kkg s PRO 60 Cb -0.22 -2.26 -0.24 0.00 0.04 0.00 0.00 34.50 31.83 2kkg s PRO 60 CO 0.39 -0.76 0.28 1.58 0.04 0.00 0.00 177.00 178.53 2kkg n HIS 61 N -0.83 0.42 0.00 0.56 -0.00 -1.26 -4.78 115.22 109.32 2kkg n HIS 61 Ca 0.09 0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.41 2kkg n HIS 61 Cb 0.48 -1.07 0.00 0.00 -0.12 0.00 0.00 29.99 29.28 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 1.72 0.00 2.97 1.57 0.00 -1.26 -5.06 105.19 105.13 2kkg n GLY 62 Ca -0.28 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.86 -1.24 0.00 -0.02 0.00 -1.26 -5.15 107.32 95.78 2kkg s GLY 63 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 44.72 46.35 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 4.42 -0.77 0.81 0.20 0.00 -1.26 -4.99 105.19 103.60 2kkg n GLY 64 Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.81 -0.44 0.25 1.61 4.27 -1.26 -4.53 117.44 115.54 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 0.20 -0.06 0.00 -1.36 0.00 0.00 31.31 30.10 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 0.16 -0.03 3.61 -1.67 0.00 -1.26 -5.03 105.19 100.96 2kkg n GLY 66 Ca 0.00 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.43 0.36 -2.07 1.61 10.64 -1.26 -4.94 117.38 120.30 2kkg n GLN 67 Ca 0.00 0.18 -0.34 0.00 -1.83 0.00 0.00 57.00 55.02 2kkg n GLN 67 Cb 0.17 -2.23 0.02 0.00 -0.86 0.00 0.00 30.24 27.34 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 -3.51 3.18 -0.15 2.61 0.04 -1.26 -4.98 135.00 130.92 2kkg s PRO 68 Ca 0.72 1.46 0.16 0.00 0.04 0.00 0.00 61.00 63.38 2kkg s PRO 68 Cb -0.32 -2.00 -0.24 0.00 0.04 0.00 0.00 34.50 31.98 2kkg s PRO 68 CO 0.52 -0.96 0.26 1.58 0.04 0.00 0.00 177.00 178.44 2kkg n HIS 69 N -1.79 0.30 -2.17 0.56 -0.00 -1.26 -4.68 115.22 106.19 2kkg n HIS 69 Ca 0.11 0.11 -0.02 0.00 0.46 0.00 0.00 57.72 58.38 2kkg n HIS 69 Cb 0.52 -1.05 -0.02 0.00 -0.12 0.00 0.00 29.99 29.32 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 1.68 0.73 0.00 1.57 0.00 -1.26 -5.09 105.19 102.82 2kkg n GLY 70 Ca -0.28 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.02 0.00 -0.02 0.00 -1.26 -5.16 105.19 97.90 2kkg n GLY 71 Ca -0.10 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 6.35 0.13 -0.02 0.00 -1.26 -4.60 105.19 105.79 2kkg n GLY 72 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.06 0.20 1.61 4.27 -1.26 -4.62 117.44 117.58 2kkg n TRP 73 Ca 0.00 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.63 2kkg n TRP 73 Cb 0.00 0.03 0.01 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 0.20 -0.55 3.65 -1.67 0.00 -1.26 -5.05 105.19 100.51 2kkg n GLY 74 Ca 0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.12 0.38 -1.72 1.61 10.64 -1.26 -4.96 117.38 121.96 2kkg n GLN 75 Ca 0.02 0.19 -0.34 0.00 -1.83 0.00 0.00 57.00 55.05 2kkg n GLN 75 Cb 0.10 -2.33 0.06 0.00 -0.86 0.00 0.00 30.24 27.22 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 -3.69 2.63 -0.20 2.61 0.04 -1.26 -4.98 135.00 130.14 2kkg s PRO 76 Ca 0.73 1.61 0.17 0.00 0.04 0.00 0.00 61.00 63.56 2kkg s PRO 76 Cb -0.32 -1.91 -0.24 0.00 0.04 0.00 0.00 34.50 32.07 2kkg s PRO 76 CO 0.50 -1.43 0.06 1.58 0.04 0.00 0.00 177.00 177.76 2kkg n HIS 77 N -2.30 0.00 -2.17 0.56 -0.00 -1.26 -4.72 115.22 105.33 2kkg n HIS 77 Ca 0.12 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.29 2kkg n HIS 77 Cb 0.51 -0.99 -0.02 0.00 -0.12 0.00 0.00 29.99 29.37 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 1.78 0.74 0.00 1.57 0.00 -1.26 -5.10 105.19 102.92 2kkg n GLY 78 Ca -0.33 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.17 -0.88 0.00 -0.02 0.00 -1.26 -5.16 105.19 98.04 2kkg n GLY 79 Ca -0.10 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 7.13 0.28 -0.02 0.00 -1.26 -4.62 105.19 106.71 2kkg n GLY 80 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.13 0.19 1.61 4.27 -1.26 -4.65 117.44 117.47 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 0.00 0.07 -0.06 0.00 -1.36 0.00 0.00 31.31 29.96 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 0.28 -0.12 3.60 -1.67 0.00 -1.26 -5.03 105.19 100.98 2kkg n GLY 82 Ca 0.00 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.52 0.35 -0.99 1.61 10.64 -1.26 -4.98 117.38 121.24 2kkg n GLN 83 Ca -0.00 0.18 -0.29 0.00 -1.83 0.00 0.00 57.00 55.06 2kkg n GLN 83 Cb 0.18 -2.20 0.20 0.00 -0.86 0.00 0.00 30.24 27.56 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 -3.47 0.06 -0.10 2.61 0.04 -1.26 -5.01 135.00 127.87 2kkg s PRO 84 Ca 0.71 0.62 0.08 0.00 0.04 0.00 0.00 61.00 62.45 2kkg s PRO 84 Cb -0.32 -1.69 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 2kkg s PRO 84 CO 0.52 -3.01 0.01 0.72 0.04 0.00 0.00 177.00 175.29 2kkg n HIS 85 N -4.38 0.00 -2.25 0.56 8.25 -1.26 -4.74 115.22 111.40 2kkg n HIS 85 Ca 0.05 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.54 2kkg n HIS 85 Cb 0.56 -0.49 0.05 0.00 1.12 0.00 0.00 29.99 31.23 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 2.45 1.58 0.00 -1.41 0.00 -1.26 -5.05 105.19 101.50 2kkg n GLY 86 Ca -0.17 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.14 0.74 6.55 -0.02 0.00 -1.26 -5.07 105.19 106.27 2kkg n GLY 87 Ca 0.07 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.32 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 0.62 -0.95 0.50 -0.02 0.00 -1.26 -4.99 105.19 99.08 2kkg n GLY 88 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.09 -0.25 -0.01 1.61 4.27 -1.26 -4.40 117.44 115.32 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 0.05 0.12 -0.05 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 0.23 -0.32 0.00 -1.67 0.00 -1.26 -5.19 105.19 96.98 2kkg n GLY 90 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.88 2kkg n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93