#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 -0.66 -4.39 5.87 0.00 -2.07 -3.49 103.07 98.32 2kkg h GLY 58 Ca 0.00 0.25 0.24 0.00 0.00 0.00 0.00 47.33 47.81 2kkg h GLY 58 CO 0.00 -0.24 0.86 -0.86 0.00 0.00 0.00 176.54 176.30 2kkg s GLN 59 N -3.69 0.20 -0.00 4.80 -2.07 -1.26 -5.14 119.66 112.50 2kkg s GLN 59 Ca -0.09 -0.01 -0.30 0.00 -1.82 0.00 0.00 55.36 53.14 2kkg s GLN 59 Cb 0.01 0.09 -0.06 0.00 -1.09 0.00 0.00 33.01 31.96 2kkg s GLN 59 CO 0.28 -0.07 1.50 -1.25 -1.32 0.00 0.00 175.29 174.42 2kkg s PRO 60 N -1.58 4.24 0.00 9.60 0.04 -1.26 -4.90 135.00 141.14 2kkg s PRO 60 Ca 0.08 2.07 0.18 0.00 0.04 0.00 0.00 61.00 63.37 2kkg s PRO 60 Cb -0.01 -3.67 0.61 0.00 0.04 0.00 0.00 34.50 31.47 2kkg s PRO 60 CO -0.05 -0.67 1.45 0.72 0.04 0.00 0.00 177.00 178.50 2kkg n HIS 61 N 5.83 0.31 0.00 0.56 8.25 -1.26 -4.41 115.22 124.49 2kkg n HIS 61 Ca 0.15 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2kkg n HIS 61 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2kkg n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kkg n GLY 62 N 1.12 0.00 0.00 -1.41 0.00 -1.26 -5.10 105.19 98.54 2kkg n GLY 62 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.17 0.00 -0.02 0.00 -1.26 -5.12 105.19 98.95 2kkg n GLY 63 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 5.59 0.38 -0.02 0.00 -1.26 -4.68 105.19 105.20 2kkg n GLY 64 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.18 0.00 1.61 4.27 -1.26 -4.60 117.44 117.28 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 -0.10 0.00 -1.36 0.00 0.00 31.31 29.95 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 0.27 -0.59 3.71 -1.67 0.00 -1.26 -5.02 105.19 100.63 2kkg n GLY 66 Ca 0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.89 1.88 0.57 1.61 -2.07 -1.26 -4.88 119.66 112.62 2kkg s GLN 67 Ca -0.05 1.86 -0.19 0.00 -1.82 0.00 0.00 55.36 55.17 2kkg s GLN 67 Cb 0.08 -1.79 -0.05 0.00 -1.09 0.00 0.00 33.01 30.16 2kkg s GLN 67 CO 0.54 -2.06 1.15 -1.25 -1.32 0.00 0.00 175.29 172.35 2kkg s PRO 68 N -3.91 3.20 -0.14 9.60 0.04 -1.26 -4.97 135.00 137.55 2kkg s PRO 68 Ca 0.76 1.67 0.16 0.00 0.04 0.00 0.00 61.00 63.63 2kkg s PRO 68 Cb -0.32 -1.98 -0.24 0.00 0.04 0.00 0.00 34.50 32.00 2kkg s PRO 68 CO 0.48 -0.99 0.30 1.58 0.04 0.00 0.00 177.00 178.41 2kkg n HIS 69 N -1.46 0.38 -2.13 0.56 -0.00 -1.26 -4.68 115.22 106.62 2kkg n HIS 69 Ca 0.12 0.14 -0.02 0.00 0.46 0.00 0.00 57.72 58.42 2kkg n HIS 69 Cb 0.51 -1.07 -0.02 0.00 -0.12 0.00 0.00 29.99 29.28 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 1.67 0.73 0.00 1.57 0.00 -1.26 -5.08 105.19 102.82 2kkg n GLY 70 Ca -0.27 -0.22 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 0.13 -1.50 0.00 -0.02 0.00 -1.26 -5.15 105.19 97.39 2kkg n GLY 71 Ca -0.10 0.57 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 5.91 0.29 -0.02 0.00 -1.26 -4.69 105.19 105.43 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 -0.12 -0.01 1.61 4.27 -1.26 -4.49 117.44 117.43 2kkg n TRP 73 Ca 0.00 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.69 2kkg n TRP 73 Cb 0.00 0.07 -0.14 0.00 -1.36 0.00 0.00 31.31 29.89 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 0.35 -0.80 3.74 -1.67 0.00 -1.26 -5.00 105.19 100.55 2kkg n GLY 74 Ca 0.00 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.17 2.44 0.31 1.61 -2.07 -1.26 -4.91 119.66 112.62 2kkg s GLN 75 Ca -0.07 1.65 -0.29 0.00 -1.82 0.00 0.00 55.36 54.84 2kkg s GLN 75 Cb 0.11 -1.88 -0.10 0.00 -1.09 0.00 0.00 33.01 30.05 2kkg s GLN 75 CO 0.73 -1.58 1.23 -1.25 -1.32 0.00 0.00 175.29 173.10 2kkg s PRO 76 N -3.90 4.45 -0.09 9.60 0.04 -1.26 -4.96 135.00 138.89 2kkg s PRO 76 Ca 0.72 2.06 0.11 0.00 0.04 0.00 0.00 61.00 63.93 2kkg s PRO 76 Cb -0.26 -3.11 -0.24 0.00 0.04 0.00 0.00 34.50 30.93 2kkg s PRO 76 CO 0.42 -0.04 0.50 -2.39 0.04 0.00 0.00 177.00 175.53 2kkg n HIS 77 N 0.92 0.82 0.00 0.56 1.44 -1.26 -4.66 115.22 113.05 2kkg n HIS 77 Ca -0.00 0.28 0.00 0.00 -2.01 0.00 0.00 57.72 55.98 2kkg n HIS 77 Cb 0.43 -1.15 0.00 0.00 0.12 0.00 0.00 29.99 29.39 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 1.66 0.00 0.40 -1.39 0.00 -1.26 -5.07 105.19 99.53 2kkg n GLY 78 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 3.22 -1.42 0.00 -0.02 0.00 -1.26 -5.18 105.19 100.53 2kkg n GLY 79 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.56 6.17 0.39 -0.02 0.00 -1.26 -4.62 105.19 105.28 2kkg n GLY 80 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.16 -0.01 1.61 4.27 -1.26 -4.54 117.44 117.35 2kkg n TRP 81 Ca 0.00 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.69 2kkg n TRP 81 Cb 0.00 0.10 -0.12 0.00 -1.36 0.00 0.00 31.31 29.93 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 0.36 -0.70 3.70 -1.67 0.00 -1.26 -5.01 105.19 100.60 2kkg n GLY 82 Ca 0.00 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.04 0.45 -2.26 1.61 10.64 -1.26 -4.89 117.38 119.62 2kkg n GLN 83 Ca -0.03 0.22 -0.40 0.00 -1.83 0.00 0.00 57.00 54.96 2kkg n GLN 83 Cb 0.40 -2.45 -0.03 0.00 -0.86 0.00 0.00 30.24 27.30 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 -3.87 4.41 -0.10 2.61 0.04 -1.26 -4.96 135.00 131.86 2kkg s PRO 84 Ca 0.76 2.03 0.14 0.00 0.04 0.00 0.00 61.00 63.96 2kkg s PRO 84 Cb -0.32 -3.05 -0.24 0.00 0.04 0.00 0.00 34.50 30.93 2kkg s PRO 84 CO 0.48 -0.07 0.45 0.72 0.04 0.00 0.00 177.00 178.62 2kkg n HIS 85 N 0.83 0.67 -2.25 0.56 8.25 -1.26 -4.62 115.22 117.40 2kkg n HIS 85 Ca 0.00 0.24 -0.00 0.00 -0.26 0.00 0.00 57.72 57.70 2kkg n HIS 85 Cb 0.43 -1.12 -0.01 0.00 1.12 0.00 0.00 29.99 30.41 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 1.64 0.79 0.00 -1.41 0.00 -1.26 -5.08 105.19 99.87 2kkg n GLY 86 Ca -0.23 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.25 -1.22 0.00 -0.02 0.00 -1.26 -5.15 105.19 97.78 2kkg n GLY 87 Ca -0.05 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 6.05 0.40 -0.02 0.00 -1.26 -4.63 105.19 105.72 2kkg n GLY 88 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.18 -1.52 1.61 4.27 -1.26 -4.57 117.44 115.79 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 0.10 0.03 0.00 -1.36 0.00 0.00 31.31 30.08 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 0.31 0.93 0.00 -1.67 0.00 -1.26 -5.17 105.19 98.33 2kkg n GLY 90 Ca 0.00 -0.23 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