#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzk s TYR 3 N 0.00 2.91 0.00 -0.14 2.02 -1.26 -5.01 117.35 115.88 1bzk s TYR 3 Ca 0.00 0.55 0.00 0.00 -0.37 0.00 0.00 57.07 57.25 1bzk s TYR 3 Cb 0.00 -3.31 0.00 0.00 -0.40 0.00 0.00 41.96 38.25 1bzk s TYR 3 CO 0.00 -1.56 0.00 -0.35 -1.57 0.00 0.00 175.55 172.07 1bzk n PRO 4 N -3.07 0.00 0.28 -1.71 -0.04 -1.26 -3.02 135.00 126.18 1bzk n PRO 4 Ca 0.08 0.16 0.14 0.00 -0.04 0.00 0.00 63.50 63.85 1bzk n PRO 4 Cb 0.61 -0.64 0.77 0.00 -0.04 0.00 0.00 33.50 34.19 1bzk n PRO 4 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1bzk h TYR 5 N 0.00 0.00 -0.01 0.54 0.05 -2.03 0.33 116.97 115.85 1bzk h TYR 5 Ca 0.00 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.55 1bzk h TYR 5 Cb 0.00 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.76 1bzk h TYR 5 CO 0.00 0.00 -0.87 -0.92 -1.05 0.00 0.00 178.16 175.32 1bzk h TYR 6 N 0.00 0.90 -0.92 4.88 3.20 -1.98 -3.24 116.97 119.81 1bzk h TYR 6 Ca 0.00 -0.48 0.25 0.00 3.14 0.00 0.00 58.73 61.63 1bzk h TYR 6 Cb 0.45 -0.10 -0.13 0.00 1.54 0.00 0.00 36.73 38.48 1bzk h TYR 6 CO 0.00 1.31 0.39 -0.07 -1.64 0.00 0.00 178.16 178.16 1bzk h LEU 7 N 0.23 0.29 -0.69 2.82 3.38 -0.83 0.28 115.31 120.79 1bzk h LEU 7 Ca -0.11 0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1bzk h LEU 7 Cb 1.55 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 42.40 1bzk h LEU 7 CO 0.17 -0.07 0.35 0.28 0.09 0.00 0.00 178.44 179.27 1bzk h SER 8 N 0.34 0.48 -0.77 -0.43 0.02 -1.64 -1.59 113.55 109.96 1bzk h SER 8 Ca 0.60 0.05 0.18 0.00 -0.84 0.00 0.00 61.79 61.77 1bzk h SER 8 Cb 1.20 -0.04 -0.12 0.00 0.14 0.00 0.00 62.40 63.59 1bzk h SER 8 CO -0.58 0.29 0.15 0.44 -1.14 0.00 0.00 176.83 175.99 1bzk h ASP 9 N 0.62 -0.08 0.00 3.07 3.32 -0.57 2.17 116.42 124.95 1bzk h ASP 9 Ca 0.33 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.55 1bzk h ASP 9 Cb 0.30 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1bzk h ASP 9 CO -0.24 -0.10 -0.00 0.40 -1.72 0.00 0.00 179.24 177.58 1bzk h ILE 10 N 0.22 1.39 -0.12 0.35 1.08 -1.32 -2.92 117.51 116.19 1bzk h ILE 10 Ca 0.44 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 1bzk h ILE 10 Cb 0.80 2.18 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 1bzk h ILE 10 CO -0.58 0.30 0.00 0.35 -0.69 0.00 0.00 178.15 177.53 1bzk n THR 11 N -4.85 0.21 -0.02 -0.27 -2.24 -0.60 -3.49 114.28 103.01 1bzk n THR 11 Ca -0.08 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1bzk n THR 11 Cb 0.25 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.34 1bzk n THR 11 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1bzk n ASP 12 N -0.11 1.11 -0.13 3.42 2.03 0.72 -3.03 116.55 120.57 1bzk n ASP 12 Ca 0.04 0.36 -0.08 0.00 0.52 0.00 0.00 54.79 55.63 1bzk n ASP 12 Cb 0.15 -0.20 -0.00 0.00 -0.72 0.00 0.00 41.12 40.35 1bzk n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bzk h ALA 13 N 0.81 0.51 0.00 -1.67 0.00 -1.62 -2.11 119.26 115.19 1bzk h ALA 13 Ca -0.32 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1bzk h ALA 13 Cb 2.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1bzk h ALA 13 CO 0.08 0.01 -0.12 0.74 0.00 0.00 0.00 179.25 179.96 1bzk h PHE 14 N 0.53 0.00 -2.43 0.00 0.04 -1.78 -3.39 116.94 109.91 1bzk h PHE 14 Ca 0.14 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.32 1bzk h PHE 14 Cb 0.00 0.00 -0.38 0.00 2.20 0.00 0.00 35.95 37.77 1bzk h PHE 14 CO -0.03 0.00 -0.94 0.45 -0.60 0.00 0.00 178.31 177.19 1bzk s SER 15 N -4.61 1.81 -0.05 2.17 0.15 -0.84 -4.96 113.70 107.36 1bzk s SER 15 Ca 0.09 -2.96 -0.04 0.00 0.70 0.00 0.00 55.95 53.75 1bzk s SER 15 Cb 0.12 -0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 63.93 1bzk s SER 15 CO 0.63 -0.19 -0.07 -0.81 1.20 0.00 0.00 173.24 174.00 1bzk n PRO 16 N 2.99 0.16 -0.32 5.44 -0.04 -0.91 -3.17 135.00 139.16 1bzk n PRO 16 Ca 0.27 0.32 -0.02 0.00 -0.04 0.00 0.00 63.50 64.02 1bzk n PRO 16 Cb 0.46 -1.06 0.10 0.00 -0.04 0.00 0.00 33.50 32.96 1bzk n PRO 16 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1bzk h GLN 17 N -0.35 1.09 0.00 0.54 4.20 -1.93 0.13 115.11 118.78 1bzk h GLN 17 Ca 0.00 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1bzk h GLN 17 Cb 0.19 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1bzk h GLN 17 CO 0.00 0.72 -0.13 0.28 -0.67 0.00 0.00 178.83 179.03 1bzk h VAL 18 N 1.12 0.56 0.32 -0.54 2.07 -1.94 -2.79 116.25 115.04 1bzk h VAL 18 Ca 0.33 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1bzk h VAL 18 Cb -0.05 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1bzk h VAL 18 CO -0.10 0.13 -0.21 0.25 0.02 0.00 0.00 177.57 177.66 1bzk h LEU 19 N 0.00 -0.53 -0.12 2.57 6.46 -0.70 -0.87 115.31 122.12 1bzk h LEU 19 Ca -0.00 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.84 1bzk h LEU 19 Cb 0.39 0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 1bzk h LEU 19 CO 0.02 -0.33 -0.25 0.00 -0.62 0.00 0.00 178.44 177.26 1bzk h ALA 20 N 0.13 -0.23 -0.75 1.25 0.00 -1.41 -1.34 119.26 116.89 1bzk h ALA 20 Ca -0.03 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1bzk h ALA 20 Cb 0.44 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 18.56 1bzk h ALA 20 CO 0.03 -0.71 -0.28 0.00 0.00 0.00 0.00 179.25 178.29 1bzk h ALA 21 N 0.62 0.26 -0.86 0.00 0.00 -1.39 0.29 119.26 118.18 1bzk h ALA 21 Ca 0.10 0.25 0.22 0.00 0.00 0.00 0.00 54.91 55.48 1bzk h ALA 21 Cb 0.46 0.74 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 1bzk h ALA 21 CO -0.31 -0.54 0.04 0.28 0.00 0.00 0.00 179.25 178.73 1bzk h VAL 22 N -0.06 0.22 -0.54 0.00 2.07 0.02 0.44 116.25 118.39 1bzk h VAL 22 Ca 0.32 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.80 1bzk h VAL 22 Cb 0.57 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1bzk h VAL 22 CO -0.80 0.02 0.29 0.40 0.02 0.00 0.00 177.57 177.50 1bzk h ILE 23 N 0.09 1.18 -0.83 4.57 2.04 -0.29 -1.63 117.51 122.63 1bzk h ILE 23 Ca 0.50 -0.48 0.21 0.00 1.00 0.00 0.00 64.86 66.09 1bzk h ILE 23 Cb 0.96 0.52 -0.13 0.00 -0.74 0.00 0.00 36.82 37.42 1bzk h ILE 23 CO -0.76 0.20 0.18 0.15 0.00 0.00 0.00 178.15 177.92 1bzk h PHE 24 N 0.72 0.26 -0.33 1.37 3.57 0.25 0.47 116.94 123.24 1bzk h PHE 24 Ca 0.19 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 1bzk h PHE 24 Cb 0.06 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1bzk h PHE 24 CO -0.01 -0.19 -0.22 0.82 -2.23 0.00 0.00 178.31 176.48 1bzk h ILE 25 N 0.20 1.29 0.00 1.41 1.08 -1.07 -0.17 117.51 120.26 1bzk h ILE 25 Ca 0.50 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1bzk h ILE 25 Cb 0.95 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1bzk h ILE 25 CO -0.63 0.44 0.06 0.22 -0.69 0.00 0.00 178.15 177.55 1bzk h TYR 26 N 0.50 0.00 0.04 1.37 5.03 0.69 0.13 116.97 124.74 1bzk h TYR 26 Ca 0.07 0.00 -0.32 0.00 2.58 0.00 0.00 58.73 61.06 1bzk h TYR 26 Cb 0.77 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.01 1bzk h TYR 26 CO 0.06 0.00 -1.85 0.34 -1.32 0.00 0.00 178.16 175.39 1bzk n PHE 27 N -2.85 1.03 0.16 -3.82 -0.00 0.69 -3.28 117.46 109.38 1bzk n PHE 27 Ca -0.02 0.31 -0.07 0.00 -0.00 0.00 0.00 57.45 57.66 1bzk n PHE 27 Cb 0.12 -1.17 -0.03 0.00 -0.00 0.00 0.00 39.48 38.40 1bzk n PHE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1bzk h ALA 28 N 0.67 -0.57 -0.02 3.13 0.00 0.10 -3.32 119.26 119.25 1bzk h ALA 28 Ca -0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1bzk h ALA 28 Cb 2.03 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 20.00 1bzk h ALA 28 CO 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 179.25 178.80 1bzk h ALA 29 N -1.36 0.02 -0.32 0.00 0.00 -1.45 -2.91 119.26 113.24 1bzk h ALA 29 Ca -0.05 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.83 1bzk h ALA 29 Cb 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1bzk h ALA 29 CO 0.08 -0.35 0.87 1.25 0.00 0.00 0.00 179.25 181.10 1bzk h LEU 30 N -0.21 0.00 0.00 0.00 7.12 -1.71 1.05 115.31 121.55 1bzk h LEU 30 Ca 0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1bzk h LEU 30 Cb 0.25 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.38 1bzk h LEU 30 CO 0.00 0.00 -0.07 0.28 -0.13 0.00 0.00 178.44 178.52 1bzk h SER 31 N 0.00 0.00 -0.34 1.25 0.02 -1.61 -3.38 113.55 109.49 1bzk h SER 31 Ca 0.15 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1bzk h SER 31 Cb 1.89 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.41 1bzk h SER 31 CO -0.00 0.33 0.03 -0.81 -1.14 0.00 0.00 176.83 175.23 1bzk n PRO 32 N -3.63 3.11 -0.03 3.45 -0.04 -0.79 -4.34 135.00 132.73 1bzk n PRO 32 Ca -0.01 -1.78 -0.15 0.00 -0.04 0.00 0.00 63.50 61.51 1bzk n PRO 32 Cb 0.04 -1.92 -0.09 0.00 -0.04 0.00 0.00 33.50 31.48 1bzk n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bzk h ALA 33 N 3.02 0.14 -0.97 0.55 0.00 0.94 -3.25 119.26 119.68 1bzk h ALA 33 Ca 0.03 -0.47 0.22 0.00 0.00 0.00 0.00 54.91 54.69 1bzk h ALA 33 Cb 1.40 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 19.00 1bzk h ALA 33 CO 0.31 0.24 -0.16 0.82 0.00 0.00 0.00 179.25 180.45 1bzk h ILE 34 N -0.11 0.03 -0.59 0.00 5.03 -1.81 0.73 117.51 120.79 1bzk h ILE 34 Ca -0.03 -0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.73 1bzk h ILE 34 Cb 1.04 0.03 -0.03 0.00 -3.03 0.00 0.00 36.82 34.82 1bzk h ILE 34 CO 0.08 0.00 0.37 0.74 -0.68 0.00 0.00 178.15 178.66 1bzk h THR 35 N 0.00 1.11 -4.16 -0.27 2.02 -1.89 -3.42 112.91 106.30 1bzk h THR 35 Ca 0.50 -0.26 -0.53 0.00 0.77 0.00 0.00 66.41 66.90 1bzk h THR 35 Cb 0.86 0.29 0.13 0.00 -1.74 0.00 0.00 68.15 67.70 1bzk h THR 35 CO -0.97 0.14 0.41 -0.36 0.37 0.00 0.00 175.52 175.10 1bzk s PHE 36 N -6.14 2.26 -0.05 3.16 0.40 0.25 -4.95 117.98 112.93 1bzk s PHE 36 Ca -0.13 1.57 0.07 0.00 -0.60 0.00 0.00 56.93 57.83 1bzk s PHE 36 Cb 0.13 -3.41 0.10 0.00 0.51 0.00 0.00 43.02 40.36 1bzk s PHE 36 CO 0.75 -2.30 0.99 0.41 0.70 0.00 0.00 175.22 175.77 1bzk n GLY 37 N 0.22 1.86 0.07 4.36 0.00 -1.26 -4.76 105.19 105.67 1bzk n GLY 37 Ca 0.13 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 1bzk n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bzk h GLY 38 N 0.00 0.00 2.00 -0.02 0.00 -1.92 -0.58 103.07 102.54 1bzk h GLY 38 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1bzk h GLY 38 CO 0.00 0.00 -0.14 -2.00 0.00 0.00 0.00 176.54 174.40 1bzk h LEU 39 N -1.00 0.00 -2.05 3.11 5.85 -1.96 -2.04 115.31 117.23 1bzk h LEU 39 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1bzk h LEU 39 Cb 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1bzk h LEU 39 CO -0.02 0.14 0.00 0.18 -0.34 0.00 0.00 178.44 178.40 1bzk n LEU 40 N -3.49 3.05 -4.56 2.25 7.99 -1.25 -4.82 117.00 116.17 1bzk n LEU 40 Ca -0.01 -1.21 -0.33 0.00 -0.01 0.00 0.00 56.01 54.45 1bzk n LEU 40 Cb 0.30 -0.10 -0.04 0.00 -0.11 0.00 0.00 43.42 43.47 1bzk n LEU 40 CO 0.30 0.58 1.47 -0.83 -1.51 0.00 0.00 177.39 177.40 1bzk s GLY 41 N -1.67 0.70 0.36 -0.72 0.00 -0.23 -4.71 107.32 101.06 1bzk s GLY 41 Ca 0.30 -1.98 0.21 0.00 0.00 0.00 0.00 44.72 43.25 1bzk s GLY 41 CO 0.28 3.14 1.49 0.83 0.00 0.00 0.00 173.10 178.84 1bzk h GLU 42 N 10.24 0.00 0.00 2.90 4.39 -1.87 -3.49 114.58 126.75 1bzk h GLU 42 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1bzk h GLU 42 Cb 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1bzk h GLU 42 CO 1.31 0.15 0.00 1.63 -1.16 0.00 0.00 179.01 180.94