#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 -0.11 -3.11 5.87 0.00 -2.10 -3.49 103.07 100.13 2kkg h GLY 58 Ca 0.00 0.04 0.15 0.00 0.00 0.00 0.00 47.33 47.52 2kkg h GLY 58 CO 0.00 -0.04 -0.86 0.61 0.00 0.00 0.00 176.54 176.24 2kkg n GLN 59 N -5.12 -2.79 -2.46 4.80 10.64 -1.26 -4.84 117.38 116.36 2kkg n GLN 59 Ca -0.08 2.23 -0.36 0.00 -1.83 0.00 0.00 57.00 56.96 2kkg n GLN 59 Cb 0.09 -3.12 -0.03 0.00 -0.86 0.00 0.00 30.24 26.32 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 -4.78 3.92 -0.03 2.61 0.04 -1.26 -4.98 135.00 130.52 2kkg s PRO 60 Ca 0.00 1.54 0.11 0.00 0.04 0.00 0.00 61.00 62.69 2kkg s PRO 60 Cb 0.00 -2.36 -0.23 0.00 0.04 0.00 0.00 34.50 31.95 2kkg s PRO 60 CO 0.00 -0.36 0.70 1.25 0.04 0.00 0.00 177.00 178.63 2kkg h HIS 61 N 2.06 0.03 0.00 0.56 2.76 -1.88 -3.43 115.15 115.25 2kkg h HIS 61 Ca -0.49 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 57.56 2kkg h HIS 61 Cb 1.23 -0.00 -0.09 0.00 1.55 0.00 0.00 27.41 30.09 2kkg h HIS 61 CO 0.56 1.05 -0.20 0.41 -1.30 0.00 0.00 177.93 178.44 2kkg n GLY 62 N 1.56 0.35 0.00 5.26 0.00 -1.26 -5.08 105.19 106.02 2kkg n GLY 62 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.16 -2.20 0.00 -0.02 0.00 -1.26 -5.18 105.19 96.37 2kkg n GLY 63 Ca -0.19 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 3.55 0.48 -0.02 0.00 -1.26 -4.86 105.19 103.08 2kkg n GLY 64 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.21 -0.01 1.61 4.27 -1.26 -4.59 117.44 117.25 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 0.00 0.12 -0.10 0.00 -1.36 0.00 0.00 31.31 29.97 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 -0.59 3.71 -1.67 0.00 -1.26 -5.02 105.19 100.68 2kkg n GLY 66 Ca 0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.83 1.92 0.71 1.61 -2.07 -1.26 -4.96 119.66 112.77 2kkg s GLN 67 Ca -0.05 1.88 -0.15 0.00 -1.82 0.00 0.00 55.36 55.22 2kkg s GLN 67 Cb 0.08 -1.79 0.03 0.00 -1.09 0.00 0.00 33.01 30.23 2kkg s GLN 67 CO 0.53 -2.03 1.19 -1.25 -1.32 0.00 0.00 175.29 172.41 2kkg s PRO 68 N -3.88 2.30 -0.12 9.60 0.04 -1.26 -4.98 135.00 136.70 2kkg s PRO 68 Ca 0.77 1.69 0.10 0.00 0.04 0.00 0.00 61.00 63.60 2kkg s PRO 68 Cb -0.32 -1.86 -0.15 0.00 0.04 0.00 0.00 34.50 32.21 2kkg s PRO 68 CO 0.47 -1.70 0.03 1.58 0.04 0.00 0.00 177.00 177.43 2kkg n HIS 69 N -2.61 0.00 -0.02 0.56 -0.00 -1.26 -4.86 115.22 107.02 2kkg n HIS 69 Ca 0.13 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.27 2kkg n HIS 69 Cb 0.51 -0.61 -0.01 0.00 -0.12 0.00 0.00 29.99 29.75 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 2.27 -0.31 0.86 1.57 0.00 -1.26 -4.99 105.19 103.33 2kkg n GLY 70 Ca -0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 2.31 0.32 0.00 -0.02 0.00 -1.26 -5.15 105.19 101.39 2kkg n GLY 71 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.87 0.28 -0.02 0.00 -1.26 -5.04 105.19 100.02 2kkg n GLY 72 Ca -0.20 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 7.12 -0.11 -0.43 1.61 4.27 -1.26 -4.44 117.44 124.20 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 0.00 0.07 0.10 0.00 -1.36 0.00 0.00 31.31 30.12 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 0.39 3.53 3.90 -1.67 0.00 -1.26 -5.03 105.19 105.05 2kkg n GLY 74 Ca 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.69 3.68 0.62 1.61 -2.07 -1.26 -5.06 119.66 115.48 2kkg s GLN 75 Ca 0.19 0.12 -0.18 0.00 -1.82 0.00 0.00 55.36 53.67 2kkg s GLN 75 Cb 0.14 -2.60 -0.02 0.00 -1.09 0.00 0.00 33.01 29.44 2kkg s GLN 75 CO 0.06 0.18 1.20 -1.25 -1.32 0.00 0.00 175.29 174.15 2kkg s PRO 76 N -3.52 2.85 -0.19 9.60 0.04 -1.26 -4.97 135.00 137.55 2kkg s PRO 76 Ca 0.46 1.78 0.16 0.00 0.04 0.00 0.00 61.00 63.43 2kkg s PRO 76 Cb -0.11 -1.92 -0.23 0.00 0.04 0.00 0.00 34.50 32.28 2kkg s PRO 76 CO 0.29 -1.29 0.05 1.58 0.04 0.00 0.00 177.00 177.67 2kkg n HIS 77 N -1.81 0.00 -0.04 0.56 -0.00 -1.26 -4.63 115.22 108.04 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 -0.95 -0.09 0.00 -0.12 0.00 0.00 29.99 29.33 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 1.85 -0.54 0.00 1.57 0.00 -1.26 -5.00 105.19 101.81 2kkg n GLY 78 Ca -0.32 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 2.21 0.43 0.00 -0.02 0.00 -1.26 -5.15 105.19 101.39 2kkg n GLY 79 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 2.55 0.29 -0.02 0.00 -1.26 -4.85 105.19 101.90 2kkg n GLY 80 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.11 -0.38 1.61 4.27 -1.26 -4.46 117.44 117.11 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 0.09 0.00 -1.36 0.00 0.00 31.31 30.12 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 0.40 3.47 3.87 -1.67 0.00 -1.26 -5.04 105.19 104.97 2kkg n GLY 82 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.61 3.80 0.76 1.61 -2.07 -1.26 -5.06 119.66 115.84 2kkg s GLN 83 Ca 0.17 0.49 -0.13 0.00 -1.82 0.00 0.00 55.36 54.07 2kkg s GLN 83 Cb 0.12 -2.39 0.06 0.00 -1.09 0.00 0.00 33.01 29.71 2kkg s GLN 83 CO 0.05 -0.02 1.13 -1.25 -1.32 0.00 0.00 175.29 173.88 2kkg s PRO 84 N -3.77 2.10 -0.19 9.60 0.04 -1.26 -4.98 135.00 136.54 2kkg s PRO 84 Ca 0.52 1.44 0.16 0.00 0.04 0.00 0.00 61.00 63.16 2kkg s PRO 84 Cb -0.10 -1.86 -0.24 0.00 0.04 0.00 0.00 34.50 32.33 2kkg s PRO 84 CO 0.30 -1.80 0.11 1.58 0.04 0.00 0.00 177.00 177.23 2kkg n HIS 85 N -3.21 0.11 -0.03 0.56 -0.00 -1.26 -4.63 115.22 106.76 2kkg n HIS 85 Ca 0.11 0.04 -0.02 0.00 0.46 0.00 0.00 57.72 58.31 2kkg n HIS 85 Cb 0.52 -1.02 -0.06 0.00 -0.12 0.00 0.00 29.99 29.31 2kkg n HIS 85 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kkg n GLY 86 N 1.77 -0.35 0.00 1.57 0.00 -1.26 -5.01 105.19 101.91 2kkg n GLY 86 Ca -0.32 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 2.45 0.44 0.00 -0.02 0.00 -1.26 -5.16 105.19 101.65 2kkg n GLY 87 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 2.97 0.40 -0.02 0.00 -1.26 -4.81 105.19 102.47 2kkg n GLY 88 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.53 1.61 4.27 -1.26 -4.40 117.44 115.96 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 0.32 0.97 0.00 -1.67 0.00 -1.26 -5.21 105.19 98.34 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