#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 -0.32 3.56 5.87 0.00 -1.26 -5.09 105.19 107.96 2kkg n GLY 58 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.40 0.60 0.68 1.61 -2.07 -1.26 -5.17 119.66 111.65 2kkg s GLN 59 Ca -0.29 -0.03 -0.15 0.00 -1.82 0.00 0.00 55.36 53.07 2kkg s GLN 59 Cb 0.09 0.28 0.01 0.00 -1.09 0.00 0.00 33.01 32.30 2kkg s GLN 59 CO 0.43 -0.22 1.13 -1.25 -1.32 0.00 0.00 175.29 174.06 2kkg s PRO 60 N -1.88 2.61 -0.17 9.60 0.04 -1.26 -4.99 135.00 138.95 2kkg s PRO 60 Ca 0.02 1.48 0.13 0.00 0.04 0.00 0.00 61.00 62.68 2kkg s PRO 60 Cb -0.01 -1.92 -0.20 0.00 0.04 0.00 0.00 34.50 32.42 2kkg s PRO 60 CO -0.03 -1.42 0.03 1.58 0.04 0.00 0.00 177.00 177.20 2kkg n HIS 61 N -2.52 0.00 0.00 0.56 -0.00 -1.26 -4.82 115.22 107.18 2kkg n HIS 61 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 2kkg n HIS 61 Cb 0.52 -0.83 0.00 0.00 -0.12 0.00 0.00 29.99 29.56 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 2.04 0.00 2.94 1.57 0.00 -1.26 -5.06 105.19 105.41 2kkg n GLY 62 Ca -0.29 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.20 -1.23 0.01 -0.02 0.00 -1.26 -5.15 107.32 95.46 2kkg s GLY 63 Ca 0.00 1.83 0.00 0.00 0.00 0.00 0.00 44.72 46.55 2kkg s GLY 63 CO 0.00 4.27 0.00 0.61 0.00 0.00 0.00 173.10 177.98 2kkg n GLY 64 N 4.34 -1.07 0.78 0.20 0.00 -1.26 -4.99 105.19 103.18 2kkg n GLY 64 Ca 0.08 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.41 -0.02 1.61 4.27 -1.26 -4.56 117.44 115.26 2kkg n TRP 65 Ca 0.00 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.66 2kkg n TRP 65 Cb 0.01 0.20 -0.11 0.00 -1.36 0.00 0.00 31.31 30.05 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 0.20 -0.64 3.71 -1.67 0.00 -1.26 -5.01 105.19 100.51 2kkg n GLY 66 Ca 0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.86 1.88 0.60 1.61 -2.07 -1.26 -4.92 119.66 112.63 2kkg s GLN 67 Ca -0.05 1.86 -0.18 0.00 -1.82 0.00 0.00 55.36 55.17 2kkg s GLN 67 Cb 0.08 -1.79 -0.03 0.00 -1.09 0.00 0.00 33.01 30.18 2kkg s GLN 67 CO 0.58 -2.06 1.15 -1.25 -1.32 0.00 0.00 175.29 172.39 2kkg s PRO 68 N -3.91 3.00 -0.15 9.60 0.04 -1.26 -4.98 135.00 137.34 2kkg s PRO 68 Ca 0.76 1.62 0.15 0.00 0.04 0.00 0.00 61.00 63.57 2kkg s PRO 68 Cb -0.32 -1.96 -0.24 0.00 0.04 0.00 0.00 34.50 32.03 2kkg s PRO 68 CO 0.48 -1.13 0.25 -2.39 0.04 0.00 0.00 177.00 174.24 2kkg n HIS 69 N -1.81 0.35 -2.12 0.56 1.44 -1.26 -4.70 115.22 107.68 2kkg n HIS 69 Ca 0.12 0.12 -0.03 0.00 -2.01 0.00 0.00 57.72 55.92 2kkg n HIS 69 Cb 0.51 -1.06 -0.03 0.00 0.12 0.00 0.00 29.99 29.52 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 1.72 0.70 0.00 -1.39 0.00 -1.26 -5.09 105.19 99.88 2kkg n GLY 70 Ca -0.29 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.12 -1.34 0.00 -0.02 0.00 -1.26 -5.16 105.19 97.53 2kkg n GLY 71 Ca -0.13 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 6.19 0.59 -0.02 0.00 -1.26 -4.68 105.19 106.01 2kkg n GLY 72 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.27 -0.01 1.61 4.27 -1.26 -4.60 117.44 117.18 2kkg n TRP 73 Ca 0.00 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.67 2kkg n TRP 73 Cb 0.00 0.15 -0.11 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 0.33 -0.66 3.71 -1.67 0.00 -1.26 -5.01 105.19 100.62 2kkg n GLY 74 Ca 0.00 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.07 0.51 -1.66 1.61 10.64 -1.26 -4.96 117.38 120.19 2kkg n GLN 75 Ca -0.05 0.24 -0.34 0.00 -1.83 0.00 0.00 57.00 55.02 2kkg n GLN 75 Cb 0.45 -2.47 0.06 0.00 -0.86 0.00 0.00 30.24 27.42 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 -3.86 2.54 -0.10 2.61 0.04 -1.26 -4.98 135.00 129.99 2kkg s PRO 76 Ca 0.77 1.61 0.09 0.00 0.04 0.00 0.00 61.00 63.51 2kkg s PRO 76 Cb -0.32 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.19 2kkg s PRO 76 CO 0.47 -1.49 0.04 1.58 0.04 0.00 0.00 177.00 177.64 2kkg n HIS 77 N -2.43 0.00 -2.08 0.56 -0.00 -1.26 -4.71 115.22 105.30 2kkg n HIS 77 Ca 0.12 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.34 2kkg n HIS 77 Cb 0.51 -0.51 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 2.34 2.02 0.00 1.57 0.00 -1.26 -5.05 105.19 104.82 2kkg n GLY 78 Ca -0.17 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.10 0.88 5.47 -0.02 0.00 -1.26 -5.07 105.19 105.09 2kkg n GLY 79 Ca 0.08 -0.77 0.05 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 0.50 -1.09 0.43 -0.02 0.00 -1.26 -5.00 105.19 98.75 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 -2.43 -0.17 -0.01 1.61 4.27 -1.26 -4.41 117.44 115.04 2kkg n TRP 81 Ca 0.00 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.68 2kkg n TRP 81 Cb 0.17 0.11 -0.11 0.00 -1.36 0.00 0.00 31.31 30.11 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 0.42 -0.68 3.68 -1.67 0.00 -1.26 -5.01 105.19 100.67 2kkg n GLY 82 Ca 0.00 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.05 0.51 -0.93 1.61 10.64 -1.26 -4.97 117.38 120.92 2kkg n GLN 83 Ca -0.04 0.24 -0.31 0.00 -1.83 0.00 0.00 57.00 55.06 2kkg n GLN 83 Cb 0.43 -2.40 0.13 0.00 -0.86 0.00 0.00 30.24 27.55 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 -3.71 1.54 -0.31 2.61 0.04 -1.26 -5.02 135.00 128.89 2kkg s PRO 84 Ca 0.76 1.39 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2kkg s PRO 84 Cb -0.33 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.49 2kkg s PRO 84 CO 0.48 -2.22 -0.00 -1.01 0.04 0.00 0.00 177.00 174.29 2kkg s HIS 85 N -2.76 3.43 0.00 0.56 3.76 -1.25 -4.64 115.29 114.39 2kkg s HIS 85 Ca 0.64 -2.38 0.00 0.00 -0.15 0.00 0.00 55.06 53.17 2kkg s HIS 85 Cb -0.20 -2.38 0.00 0.00 1.11 0.00 0.00 32.58 31.11 2kkg s HIS 85 CO 0.57 -0.89 0.00 0.41 -0.85 0.00 0.00 174.74 173.98 2kkg n GLY 86 N 4.46 3.03 0.00 -2.22 0.00 -1.26 -4.76 105.19 104.44 2kkg n GLY 86 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.63 0.48 7.00 -0.02 0.00 -1.26 -5.14 105.19 105.62 2kkg n GLY 87 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 0.94 0.31 -0.02 0.00 -1.26 -4.93 105.19 100.23 2kkg n GLY 88 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.04 -1.48 1.61 4.27 -1.26 -3.75 117.44 116.79 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 0.08 0.03 0.00 -1.36 0.00 0.00 31.31 30.05 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 0.86 0.84 0.00 -1.67 0.00 -1.26 -5.14 105.19 98.81 2kkg n GLY 90 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2kkg n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93