#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 0.48 1.35 5.87 0.00 -1.26 -5.15 105.19 106.48 2kkg n GLY 58 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2kkg n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLN 59 N 0.00 -2.85 -2.33 1.61 10.64 -1.26 -4.84 117.38 118.35 2kkg n GLN 59 Ca 0.00 2.27 -0.35 0.00 -1.83 0.00 0.00 57.00 57.08 2kkg n GLN 59 Cb 0.00 -3.14 -0.01 0.00 -0.86 0.00 0.00 30.24 26.23 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 -4.82 3.58 -0.08 2.61 0.04 -1.26 -4.97 135.00 130.10 2kkg s PRO 60 Ca 0.00 1.60 0.12 0.00 0.04 0.00 0.00 61.00 62.77 2kkg s PRO 60 Cb 0.00 -2.16 -0.24 0.00 0.04 0.00 0.00 34.50 32.15 2kkg s PRO 60 CO 0.00 -0.66 0.52 1.58 0.04 0.00 0.00 177.00 178.49 2kkg n HIS 61 N -0.96 0.82 -0.03 0.56 -0.00 -1.26 -4.53 115.22 109.82 2kkg n HIS 61 Ca 0.10 0.29 -0.02 0.00 0.46 0.00 0.00 57.72 58.54 2kkg n HIS 61 Cb 0.50 -1.15 -0.05 0.00 -0.12 0.00 0.00 29.99 29.17 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 1.63 -0.34 0.00 1.57 0.00 -1.26 -5.03 105.19 101.77 2kkg n GLY 62 Ca -0.21 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 2.48 0.03 0.00 -0.02 0.00 -1.26 -5.16 105.19 101.26 2kkg n GLY 63 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 4.13 0.13 -0.02 0.00 -1.26 -4.70 105.19 103.48 2kkg n GLY 64 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.05 -0.35 1.61 4.27 -1.26 -4.50 117.44 117.16 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 0.03 0.16 0.00 -1.36 0.00 0.00 31.31 30.15 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 0.42 3.10 3.90 -1.67 0.00 -1.26 -5.01 105.19 104.67 2kkg n GLY 66 Ca 0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.42 3.31 0.62 1.61 -2.07 -1.26 -5.00 119.66 115.45 2kkg s GLN 67 Ca 0.25 -0.64 -0.17 0.00 -1.82 0.00 0.00 55.36 52.98 2kkg s GLN 67 Cb 0.16 -2.90 -0.02 0.00 -1.09 0.00 0.00 33.01 29.16 2kkg s GLN 67 CO 0.13 0.53 1.15 -1.25 -1.32 0.00 0.00 175.29 174.53 2kkg s PRO 68 N -3.09 2.88 -0.16 9.60 0.04 -1.26 -4.98 135.00 138.03 2kkg s PRO 68 Ca 0.34 1.62 0.16 0.00 0.04 0.00 0.00 61.00 63.16 2kkg s PRO 68 Cb -0.11 -1.94 -0.24 0.00 0.04 0.00 0.00 34.50 32.24 2kkg s PRO 68 CO 0.27 -1.23 0.23 -2.39 0.04 0.00 0.00 177.00 173.92 2kkg n HIS 69 N -1.97 0.28 -2.12 0.56 1.44 -1.26 -4.70 115.22 107.45 2kkg n HIS 69 Ca 0.12 0.10 -0.02 0.00 -2.01 0.00 0.00 57.72 55.91 2kkg n HIS 69 Cb 0.51 -1.05 -0.02 0.00 0.12 0.00 0.00 29.99 29.54 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 1.70 0.73 0.00 -1.39 0.00 -1.26 -5.08 105.19 99.89 2kkg n GLY 70 Ca -0.29 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.51 0.00 -0.02 0.00 -1.26 -5.15 105.19 97.37 2kkg n GLY 71 Ca -0.10 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 5.91 0.21 -0.02 0.00 -1.26 -4.69 105.19 105.34 2kkg n GLY 72 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.08 -0.17 1.61 4.27 -1.26 -4.47 117.44 117.34 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 0.00 0.05 0.11 0.00 -1.36 0.00 0.00 31.31 30.11 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 0.37 2.94 3.90 -1.67 0.00 -1.26 -5.02 105.19 104.45 2kkg n GLY 74 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.11 3.64 0.65 1.61 -2.07 -1.26 -4.95 119.66 116.17 2kkg s GLN 75 Ca 0.17 -0.02 -0.17 0.00 -1.82 0.00 0.00 55.36 53.52 2kkg s GLN 75 Cb 0.09 -2.70 -0.00 0.00 -1.09 0.00 0.00 33.01 29.31 2kkg s GLN 75 CO 0.10 0.29 1.21 -1.25 -1.32 0.00 0.00 175.29 174.32 2kkg s PRO 76 N -3.29 2.61 -0.11 9.60 0.04 -1.26 -4.95 135.00 137.63 2kkg s PRO 76 Ca 0.43 1.79 0.11 0.00 0.04 0.00 0.00 61.00 63.38 2kkg s PRO 76 Cb -0.11 -1.89 -0.16 0.00 0.04 0.00 0.00 34.50 32.38 2kkg s PRO 76 CO 0.28 -1.48 0.08 1.58 0.04 0.00 0.00 177.00 177.49 2kkg n HIS 77 N -2.11 0.00 -2.04 0.56 -0.00 -1.26 -4.80 115.22 105.57 2kkg n HIS 77 Ca 0.13 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.28 2kkg n HIS 77 Cb 0.50 -0.57 -0.03 0.00 -0.12 0.00 0.00 29.99 29.76 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 2.16 0.73 0.00 1.57 0.00 -1.26 -5.07 105.19 103.32 2kkg n GLY 78 Ca -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.04 1.23 3.35 -0.02 0.00 -1.26 -5.13 105.19 103.40 2kkg n GLY 79 Ca -0.13 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.30 0.16 -0.02 0.00 -1.26 -5.00 105.19 97.76 2kkg n GLY 80 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.98 -0.02 -0.98 1.61 4.27 -1.26 -4.22 117.44 113.86 2kkg n TRP 81 Ca 0.01 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.71 2kkg n TRP 81 Cb 0.36 0.04 0.15 0.00 -1.36 0.00 0.00 31.31 30.50 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 0.82 4.62 3.87 -1.67 0.00 -1.26 -5.04 105.19 106.52 2kkg n GLY 82 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.74 3.82 0.79 1.61 -2.07 -1.26 -5.06 119.66 114.75 2kkg s GLN 83 Ca 0.32 0.57 -0.12 0.00 -1.82 0.00 0.00 55.36 54.31 2kkg s GLN 83 Cb 0.27 -2.35 0.07 0.00 -1.09 0.00 0.00 33.01 29.91 2kkg s GLN 83 CO 0.04 -0.06 1.12 -1.25 -1.32 0.00 0.00 175.29 173.82 2kkg s PRO 84 N -3.83 2.01 -0.12 9.60 0.04 -1.26 -4.99 135.00 136.44 2kkg s PRO 84 Ca 0.53 1.37 0.10 0.00 0.04 0.00 0.00 61.00 63.04 2kkg s PRO 84 Cb -0.10 -1.85 -0.15 0.00 0.04 0.00 0.00 34.50 32.44 2kkg s PRO 84 CO 0.30 -1.86 0.03 0.72 0.04 0.00 0.00 177.00 176.23 2kkg n HIS 85 N -3.44 0.00 -2.10 0.56 8.25 -1.26 -4.70 115.22 112.53 2kkg n HIS 85 Ca 0.10 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.61 2kkg n HIS 85 Cb 0.52 -0.60 0.07 0.00 1.12 0.00 0.00 29.99 31.10 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 2.29 2.20 0.00 -1.41 0.00 -1.26 -5.04 105.19 101.97 2kkg n GLY 86 Ca -0.20 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.11 0.39 7.00 -0.02 0.00 -1.26 -5.06 105.19 106.13 2kkg n GLY 87 Ca 0.09 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.28 -0.87 0.44 -0.02 0.00 -1.26 -4.99 105.19 98.77 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 -1.91 -0.21 -1.55 1.61 4.27 -1.26 -4.42 117.44 113.97 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 0.11 0.03 0.00 -1.36 0.00 0.00 31.31 30.09 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 1.02 0.00 -1.67 0.00 -1.26 -5.20 105.19 98.36 2kkg n GLY 90 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2kkg n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93