#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z99 h LYS 2 N 0.00 0.04 -0.31 -3.48 3.11 -1.98 -0.92 116.57 113.03 1z99 h LYS 2 Ca 0.00 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1z99 h LYS 2 Cb 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.21 1z99 h LYS 2 CO 0.00 0.05 0.10 0.37 -2.81 0.00 0.00 179.45 177.16 1z99 h GLN 3 N 0.04 0.48 0.06 1.90 4.15 -1.99 0.68 115.11 120.44 1z99 h GLN 3 Ca 0.01 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 1z99 h GLN 3 Cb 0.03 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1z99 h GLN 3 CO 0.00 0.52 -0.03 0.00 -1.93 0.00 0.00 178.83 177.39 1z99 h HIS 5 N -0.14 0.00 -0.13 0.00 3.86 -1.24 -0.58 115.15 116.92 1z99 h HIS 5 Ca -0.01 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1z99 h HIS 5 Cb 0.12 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 1z99 h HIS 5 CO -0.06 0.01 -0.09 -0.22 0.86 0.00 0.00 177.93 178.44 1z99 h LYS 6 N 0.00 -0.09 -0.58 2.45 1.63 -0.28 -0.64 116.57 119.07 1z99 h LYS 6 Ca -0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1z99 h LYS 6 Cb 0.02 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1z99 h LYS 6 CO 0.00 -0.06 0.00 1.17 -3.45 0.00 0.00 179.45 177.11 1z99 n LYS 7 N -5.23 1.29 -0.94 1.90 4.81 -1.06 -4.83 118.16 114.10 1z99 n LYS 7 Ca -0.03 -0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.12 1z99 n LYS 7 Cb 0.16 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 33.85 1z99 n LYS 7 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1z99 n GLY 8 N 0.30 0.65 3.76 3.14 0.00 -0.25 -4.44 105.19 108.36 1z99 n GLY 8 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1z99 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1z99 s GLY 9 N -2.00 2.88 0.00 -0.02 0.00 -0.25 -3.45 107.32 104.48 1z99 s GLY 9 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.89 1z99 s GLY 9 CO 0.00 1.71 0.00 1.57 0.00 0.00 0.00 173.10 176.38 1z99 n HIS 10 N -0.25 0.00 0.00 1.90 -0.00 -1.21 -3.08 115.22 112.59 1z99 n HIS 10 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 1z99 n HIS 10 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 1z99 n HIS 10 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1z99 s PHE 12 N 0.00 0.30 0.41 0.00 0.08 -0.79 -5.01 117.98 112.97 1z99 s PHE 12 Ca 0.00 0.02 -0.24 0.00 0.12 0.00 0.00 56.93 56.82 1z99 s PHE 12 Cb 0.00 -0.43 -0.11 0.00 -0.57 0.00 0.00 43.02 41.91 1z99 s PHE 12 CO 0.00 -0.15 0.99 -0.35 -0.10 0.00 0.00 175.22 175.62 1z99 n PRO 13 N 4.31 1.32 -0.34 0.24 -0.04 -1.26 -4.01 135.00 135.23 1z99 n PRO 13 Ca -0.23 0.47 0.20 0.00 -0.04 0.00 0.00 63.50 63.90 1z99 n PRO 13 Cb 0.50 -2.01 0.43 0.00 -0.04 0.00 0.00 33.50 32.38 1z99 n PRO 13 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1z99 h LYS 14 N 1.55 0.48 0.00 0.54 1.63 -1.92 0.25 116.57 119.10 1z99 h LYS 14 Ca -0.44 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1z99 h LYS 14 Cb 1.34 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1z99 h LYS 14 CO 0.57 0.32 -0.00 1.05 -3.45 0.00 0.00 179.45 177.93 1z99 h GLU 15 N 0.49 0.00 -0.01 1.90 4.11 -1.93 -2.54 114.58 116.61 1z99 h GLU 15 Ca 0.67 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 60.09 1z99 h GLU 15 Cb 1.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 1z99 h GLU 15 CO -0.49 0.00 -0.03 1.57 0.07 0.00 0.00 179.01 180.14 1z99 h LYS 16 N 0.00 0.01 -6.37 1.06 5.09 -0.80 -3.48 116.57 112.08 1z99 h LYS 16 Ca -0.00 -0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.68 1z99 h LYS 16 Cb 0.26 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.59 1z99 h LYS 16 CO 0.00 0.04 -1.03 -0.89 -2.09 0.00 0.00 179.45 175.48 1z99 n ILE 17 N -4.50 -2.50 -2.39 0.07 5.41 -0.96 -4.90 119.36 109.58 1z99 n ILE 17 Ca -0.03 0.46 -0.39 0.00 1.00 0.00 0.00 62.75 63.80 1z99 n ILE 17 Cb 0.12 -3.17 -0.03 0.00 -0.71 0.00 0.00 39.64 35.85 1z99 n ILE 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1z99 s LEU 19 N -2.05 1.06 0.81 0.00 2.96 -1.26 -4.46 118.68 115.73 1z99 s LEU 19 Ca 0.52 0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 54.42 1z99 s LEU 19 Cb -0.30 1.04 0.08 0.00 0.50 0.00 0.00 46.19 47.51 1z99 s LEU 19 CO 0.39 -0.36 1.10 -2.16 -1.32 0.00 0.00 176.35 174.00 1z99 s PRO 20 N -1.06 1.97 -1.27 0.98 0.04 -1.26 -4.11 135.00 130.28 1z99 s PRO 20 Ca -0.11 1.21 -0.18 0.00 0.04 0.00 0.00 61.00 61.96 1z99 s PRO 20 Cb -0.05 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.64 1z99 s PRO 20 CO 0.03 -1.86 1.91 -0.35 0.04 0.00 0.00 177.00 176.77 1z99 n PRO 21 N -3.67 2.70 0.07 0.56 -0.04 -1.26 -4.14 135.00 129.21 1z99 n PRO 21 Ca 0.09 -2.85 0.00 0.00 -0.04 0.00 0.00 63.50 60.70 1z99 n PRO 21 Cb 0.53 -3.43 0.00 0.00 -0.04 0.00 0.00 33.50 30.56 1z99 n PRO 21 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1z99 n SER 22 N 8.73 0.34 0.24 3.54 3.41 -1.26 -4.80 113.62 123.82 1z99 n SER 22 Ca 0.49 0.21 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 1z99 n SER 22 Cb 0.44 0.02 0.35 0.00 -0.26 0.00 0.00 64.21 64.75 1z99 n SER 22 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1z99 h SER 23 N 0.00 0.00 -0.30 4.04 4.64 -1.86 -3.37 113.55 116.70 1z99 h SER 23 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 1z99 h SER 23 Cb 0.17 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.16 1z99 h SER 23 CO 0.00 0.03 -0.14 -0.67 -0.87 0.00 0.00 176.83 175.18 1z99 n ASP 24 N -3.12 5.60 -0.09 4.97 2.03 -1.26 -3.17 116.55 121.51 1z99 n ASP 24 Ca 0.03 -2.68 -0.09 0.00 0.52 0.00 0.00 54.79 52.56 1z99 n ASP 24 Cb 0.46 -1.35 -0.07 0.00 -0.72 0.00 0.00 41.12 39.45 1z99 n ASP 24 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1z99 h PHE 25 N 2.87 -1.14 0.00 -0.67 -5.15 -1.74 -3.43 116.94 107.67 1z99 h PHE 25 Ca 0.24 0.06 0.00 0.00 -0.20 0.00 0.00 57.97 58.06 1z99 h PHE 25 Cb 1.27 0.53 0.00 0.00 0.22 0.00 0.00 35.95 37.97 1z99 h PHE 25 CO 1.60 -0.33 0.00 0.41 -2.00 0.00 0.00 178.31 178.00 1z99 n GLY 26 N -1.25 0.00 1.31 6.09 0.00 -1.26 -5.03 105.19 105.05 1z99 n GLY 26 Ca -0.02 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.15 1z99 n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1z99 n LYS 27 N 0.00 -2.69 0.00 1.61 4.81 -1.26 -5.00 118.16 115.63 1z99 n LYS 27 Ca 0.00 2.04 0.00 0.00 -0.87 0.00 0.00 58.31 59.48 1z99 n LYS 27 Cb 0.00 -3.28 0.00 0.00 0.02 0.00 0.00 35.03 31.77 1z99 n LYS 27 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1z99 n MET 28 N -3.98 0.00 0.00 1.64 2.81 -1.26 -4.89 117.12 111.43 1z99 n MET 28 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1z99 n MET 28 Cb 0.65 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.16 1z99 n MET 28 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1z99 n ASP 29 N -1.71 0.00 -4.02 7.83 2.03 -1.26 -4.96 116.55 114.46 1z99 n ASP 29 Ca 0.00 -1.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.02 1z99 n ASP 29 Cb 0.00 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 40.65 1z99 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1z99 n ARG 31 N -5.04 0.00 -0.09 0.00 1.74 -1.26 -4.87 116.66 107.13 1z99 n ARG 31 Ca 0.08 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.14 1z99 n ARG 31 Cb 0.58 -0.82 0.20 0.00 -1.02 0.00 0.00 32.46 31.40 1z99 n ARG 31 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1z99 h TRP 32 N 0.59 0.77 0.00 -1.55 7.01 -2.01 -1.40 115.95 119.36 1z99 h TRP 32 Ca -0.26 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.65 1z99 h TRP 32 Cb 1.19 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 28.03 1z99 h TRP 32 CO 0.30 0.70 0.00 -0.09 -2.79 0.00 0.00 178.44 176.56 1z99 h ARG 33 N 0.70 0.00 -6.29 2.65 1.12 -2.04 -3.44 114.38 107.08 1z99 h ARG 33 Ca 0.14 0.00 -0.46 0.00 -1.11 0.00 0.00 59.98 58.55 1z99 h ARG 33 Cb 0.38 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.33 1z99 h ARG 33 CO 0.01 0.00 -0.33 -1.58 -3.11 0.00 0.00 179.97 174.96 1z99 s TRP 34 N -3.27 2.78 0.18 2.20 0.52 -0.53 -4.34 118.94 116.49 1z99 s TRP 34 Ca 0.07 -0.43 0.04 0.00 0.02 0.00 0.00 56.10 55.79 1z99 s TRP 34 Cb 0.10 -2.23 -0.01 0.00 -1.15 0.00 0.00 33.47 30.18 1z99 s TRP 34 CO 0.55 -0.22 0.13 0.36 0.02 0.00 0.00 176.95 177.79 1z99 n LYS 35 N -1.66 0.35 -4.00 4.98 2.85 -1.26 -4.74 118.16 114.68 1z99 n LYS 35 Ca 0.05 -1.76 -0.08 0.00 -1.05 0.00 0.00 58.31 55.46 1z99 n LYS 35 Cb 0.60 1.32 -0.10 0.00 -0.65 0.00 0.00 35.03 36.21 1z99 n LYS 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1z99 n LYS 38 N 1.36 0.32 0.00 0.00 -0.00 -1.19 -3.30 118.16 115.36 1z99 n LYS 38 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.09 1z99 n LYS 38 Cb 0.56 -1.34 0.00 0.00 -0.00 0.00 0.00 35.03 34.25 1z99 n LYS 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1z99 n LYS 39 N 1.10 0.00 -1.70 -1.58 4.81 -1.22 -4.82 118.16 114.74 1z99 n LYS 39 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1z99 n LYS 39 Cb 0.16 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.24 1z99 n LYS 39 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1z99 n GLY 40 N 0.00 0.49 2.61 3.14 0.00 -1.26 -5.00 105.19 105.16 1z99 n GLY 40 Ca 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1z99 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1z99 s SER 41 N -0.73 0.30 0.00 1.61 1.04 -1.26 -4.76 113.70 109.90 1z99 s SER 41 Ca 0.66 -2.28 0.00 0.00 0.48 0.00 0.00 55.95 54.81 1z99 s SER 41 Cb -0.47 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1z99 s SER 41 CO 0.54 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.23