#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 0.25 3.78 -1.67 0.00 -1.26 -5.15 105.19 101.15 2kkg n GLY 58 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 0.01 3.03 0.65 1.61 -2.07 -1.26 -5.00 119.66 116.63 2kkg s GLN 59 Ca 0.00 1.36 -0.16 0.00 -1.82 0.00 0.00 55.36 54.75 2kkg s GLN 59 Cb 0.02 -1.98 -0.00 0.00 -1.09 0.00 0.00 33.01 29.95 2kkg s GLN 59 CO -0.01 -1.06 1.14 -1.25 -1.32 0.00 0.00 175.29 172.79 2kkg s PRO 60 N -3.97 2.77 -0.19 9.60 0.04 -1.26 -4.98 135.00 137.01 2kkg s PRO 60 Ca 0.67 1.52 0.15 0.00 0.04 0.00 0.00 61.00 63.37 2kkg s PRO 60 Cb -0.20 -1.94 -0.22 0.00 0.04 0.00 0.00 34.50 32.19 2kkg s PRO 60 CO 0.38 -1.29 0.03 -2.39 0.04 0.00 0.00 177.00 173.77 2kkg n HIS 61 N -2.25 0.00 0.00 0.56 1.44 -1.26 -4.81 115.22 108.89 2kkg n HIS 61 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 2kkg n HIS 61 Cb 0.51 -0.91 0.00 0.00 0.12 0.00 0.00 29.99 29.72 2kkg n HIS 61 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kkg n GLY 62 N 1.93 0.00 2.76 -1.39 0.00 -1.26 -5.05 105.19 102.18 2kkg n GLY 62 Ca -0.31 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.88 -1.54 0.02 -0.02 0.00 -1.26 -5.15 107.32 95.49 2kkg s GLY 63 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 44.72 46.07 2kkg s GLY 63 CO 0.00 4.33 0.00 0.61 0.00 0.00 0.00 173.10 178.04 2kkg n GLY 64 N 3.70 -1.13 0.28 0.20 0.00 -1.26 -5.00 105.19 101.99 2kkg n GLY 64 Ca 0.05 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.94 -0.12 -0.51 1.61 4.27 -1.26 -4.55 117.44 114.93 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 0.05 0.07 0.09 0.00 -1.36 0.00 0.00 31.31 30.16 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 0.32 3.80 3.84 -1.67 0.00 -1.26 -5.04 105.19 105.17 2kkg n GLY 66 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.87 3.94 0.83 1.61 -2.07 -1.26 -5.05 119.66 115.79 2kkg s GLN 67 Ca 0.18 0.93 -0.10 0.00 -1.82 0.00 0.00 55.36 54.54 2kkg s GLN 67 Cb 0.15 -2.15 0.09 0.00 -1.09 0.00 0.00 33.01 30.01 2kkg s GLN 67 CO 0.03 -0.26 1.11 -1.25 -1.32 0.00 0.00 175.29 173.60 2kkg s PRO 68 N -4.07 1.75 -0.14 9.60 0.04 -1.26 -4.99 135.00 135.93 2kkg s PRO 68 Ca 0.58 1.29 0.10 0.00 0.04 0.00 0.00 61.00 63.02 2kkg s PRO 68 Cb -0.10 -1.83 -0.16 0.00 0.04 0.00 0.00 34.50 32.45 2kkg s PRO 68 CO 0.31 -2.04 0.02 -2.39 0.04 0.00 0.00 177.00 172.94 2kkg n HIS 69 N -3.81 0.00 -2.18 0.56 1.44 -1.26 -4.70 115.22 105.27 2kkg n HIS 69 Ca 0.10 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.85 2kkg n HIS 69 Cb 0.53 -0.66 0.06 0.00 0.12 0.00 0.00 29.99 30.04 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 2.24 1.92 0.00 -1.39 0.00 -1.26 -5.04 105.19 101.66 2kkg n GLY 70 Ca -0.23 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 0.02 0.45 6.37 -0.02 0.00 -1.26 -5.06 105.19 105.69 2kkg n GLY 71 Ca 0.08 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.38 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 0.26 -1.00 0.22 -0.02 0.00 -1.26 -5.00 105.19 98.40 2kkg n GLY 72 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.19 -0.09 -0.40 1.61 4.27 -1.26 -4.41 117.44 114.96 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 0.07 0.05 0.13 0.00 -1.36 0.00 0.00 31.31 30.21 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 0.34 3.34 3.93 -1.67 0.00 -1.26 -5.02 105.19 104.86 2kkg n GLY 74 Ca 0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.60 3.51 0.50 1.61 -2.07 -1.26 -5.08 119.66 115.28 2kkg s GLN 75 Ca 0.22 -0.38 -0.22 0.00 -1.82 0.00 0.00 55.36 53.16 2kkg s GLN 75 Cb 0.15 -2.86 -0.06 0.00 -1.09 0.00 0.00 33.01 29.15 2kkg s GLN 75 CO 0.09 0.42 1.21 -1.25 -1.32 0.00 0.00 175.29 174.44 2kkg s PRO 76 N -3.29 3.48 -0.16 9.60 0.04 -1.26 -4.97 135.00 138.44 2kkg s PRO 76 Ca 0.38 1.86 0.15 0.00 0.04 0.00 0.00 61.00 63.43 2kkg s PRO 76 Cb -0.11 -2.26 -0.24 0.00 0.04 0.00 0.00 34.50 31.92 2kkg s PRO 76 CO 0.29 -0.80 0.22 1.58 0.04 0.00 0.00 177.00 178.32 2kkg n HIS 77 N -0.84 0.28 -0.03 0.56 -0.00 -1.26 -4.61 115.22 109.33 2kkg n HIS 77 Ca 0.09 0.10 -0.02 0.00 0.46 0.00 0.00 57.72 58.35 2kkg n HIS 77 Cb 0.48 -1.05 -0.06 0.00 -0.12 0.00 0.00 29.99 29.24 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 1.73 -0.34 0.00 1.57 0.00 -1.26 -5.03 105.19 101.85 2kkg n GLY 78 Ca -0.29 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 2.47 -1.07 0.00 -0.02 0.00 -1.26 -5.16 105.19 100.15 2kkg n GLY 79 Ca -0.09 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 4.60 0.58 -0.02 0.00 -1.26 -4.71 105.19 104.38 2kkg n GLY 80 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.27 -0.01 1.61 4.27 -1.26 -4.52 117.44 117.26 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 0.14 -0.11 0.00 -1.36 0.00 0.00 31.31 29.98 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 -0.66 3.70 -1.67 0.00 -1.26 -5.01 105.19 100.57 2kkg n GLY 82 Ca 0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.94 1.85 0.33 1.61 -2.07 -1.26 -4.95 119.66 112.24 2kkg s GLN 83 Ca -0.05 1.85 -0.28 0.00 -1.82 0.00 0.00 55.36 55.05 2kkg s GLN 83 Cb 0.09 -1.79 -0.10 0.00 -1.09 0.00 0.00 33.01 30.12 2kkg s GLN 83 CO 0.59 -2.07 1.25 -1.25 -1.32 0.00 0.00 175.29 172.49 2kkg s PRO 84 N -3.94 4.36 -0.12 9.60 0.04 -1.26 -4.96 135.00 138.72 2kkg s PRO 84 Ca 0.76 2.09 0.13 0.00 0.04 0.00 0.00 61.00 64.02 2kkg s PRO 84 Cb -0.31 -3.04 -0.24 0.00 0.04 0.00 0.00 34.50 30.95 2kkg s PRO 84 CO 0.48 -0.13 0.35 0.72 0.04 0.00 0.00 177.00 178.45 2kkg n HIS 85 N 0.77 0.54 0.00 0.56 8.25 -1.26 -4.75 115.22 119.33 2kkg n HIS 85 Ca 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2kkg n HIS 85 Cb 0.43 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.44 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 1.69 0.00 3.02 -1.41 0.00 -1.26 -5.06 105.19 102.17 2kkg n GLY 86 Ca -0.26 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.81 2kkg n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kkg s GLY 87 N -3.84 -1.10 0.02 -0.02 0.00 -1.26 -5.15 107.32 95.97 2kkg s GLY 87 Ca 0.00 1.99 0.00 0.00 0.00 0.00 0.00 44.72 46.71 2kkg s GLY 87 CO 0.00 4.23 0.00 0.61 0.00 0.00 0.00 173.10 177.94 2kkg n GLY 88 N 4.62 -0.97 0.44 0.20 0.00 -1.26 -4.99 105.19 103.22 2kkg n GLY 88 Ca 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.12 -0.21 -1.58 1.61 4.27 -1.26 -4.54 117.44 113.61 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 0.11 0.03 0.00 -1.36 0.00 0.00 31.31 30.14 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 0.28 1.15 0.00 -1.67 0.00 -1.26 -5.18 105.19 98.51 2kkg n GLY 90 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2kkg n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93