#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzk n TYR 3 N 0.00 -2.90 0.00 -0.14 4.11 -1.26 -5.02 117.16 111.94 1bzk n TYR 3 Ca 0.00 -2.07 0.00 0.00 -0.00 0.00 0.00 57.90 55.83 1bzk n TYR 3 Cb 0.00 1.48 0.00 0.00 -0.00 0.00 0.00 39.34 40.82 1bzk n TYR 3 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1bzk n PRO 4 N 0.92 0.00 -0.38 -3.48 -0.04 -1.26 -4.26 135.00 126.51 1bzk n PRO 4 Ca 0.08 0.20 0.37 0.00 -0.04 0.00 0.00 63.50 64.12 1bzk n PRO 4 Cb 0.66 -0.65 0.65 0.00 -0.04 0.00 0.00 33.50 34.13 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 -0.12 0.54 0.05 -1.95 0.20 116.97 115.69 1bzk h TYR 5 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 1bzk h TYR 5 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1bzk h TYR 5 CO 0.00 0.00 -0.03 -0.92 -1.05 0.00 0.00 178.16 176.16 1bzk h TYR 6 N 0.00 -0.07 0.09 4.88 3.20 -1.97 -1.56 116.97 121.54 1bzk h TYR 6 Ca 0.63 0.01 -0.34 0.00 3.14 0.00 0.00 58.73 62.18 1bzk h TYR 6 Cb 2.96 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 41.26 1bzk h TYR 6 CO 0.00 -0.06 -1.85 -0.11 -1.64 0.00 0.00 178.16 174.50 1bzk n LEU 7 N -5.16 2.46 -0.40 2.82 7.94 0.58 -4.09 117.00 121.16 1bzk n LEU 7 Ca -0.04 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 1bzk n LEU 7 Cb 0.09 -1.08 0.00 0.00 0.53 0.00 0.00 43.42 42.96 1bzk n LEU 7 CO 0.28 0.72 0.28 -1.20 -1.11 0.00 0.00 177.39 176.36 1bzk n SER 8 N -3.70 0.73 0.00 1.96 7.64 -0.57 -2.43 113.62 117.25 1bzk n SER 8 Ca -0.33 -1.84 0.00 0.00 1.01 0.00 0.00 58.87 57.72 1bzk n SER 8 Cb 0.96 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1bzk n SER 8 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1bzk n ASP 9 N -0.07 0.00 -0.01 6.43 5.68 -0.59 -4.70 116.55 123.30 1bzk n ASP 9 Ca 0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.11 1bzk n ASP 9 Cb 0.18 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.02 1bzk n ASP 9 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1bzk n ILE 10 N 0.00 1.73 0.16 2.12 -0.00 -1.26 -3.85 119.36 118.25 1bzk n ILE 10 Ca 0.00 -0.69 0.04 0.00 -0.00 0.00 0.00 62.75 62.10 1bzk n ILE 10 Cb 0.00 -1.52 0.20 0.00 -0.00 0.00 0.00 39.64 38.32 1bzk n ILE 10 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1bzk n THR 11 N -3.35 1.54 0.33 1.39 -2.24 -1.26 -1.60 114.28 109.09 1bzk n THR 11 Ca -0.28 0.48 -0.16 0.00 -2.27 0.00 0.00 64.05 61.81 1bzk n THR 11 Cb 1.05 -1.42 -0.08 0.00 -2.10 0.00 0.00 70.33 67.78 1bzk n THR 11 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1bzk h ASP 12 N 0.00 -0.71 0.00 3.42 1.82 -1.58 -3.24 116.42 116.13 1bzk h ASP 12 Ca 0.00 -0.02 -0.36 0.00 -0.39 0.00 0.00 57.03 56.26 1bzk h ASP 12 Cb 0.08 0.18 -0.05 0.00 0.68 0.00 0.00 39.33 40.21 1bzk h ASP 12 CO 0.00 -0.39 -2.19 0.00 -1.61 0.00 0.00 179.24 175.05 1bzk n ALA 13 N -2.57 1.43 -0.43 -0.78 0.00 -1.13 -3.96 120.51 113.08 1bzk n ALA 13 Ca -0.12 -0.93 0.36 0.00 0.00 0.00 0.00 53.44 52.75 1bzk n ALA 13 Cb 0.36 0.18 0.64 0.00 0.00 0.00 0.00 19.45 20.63 1bzk n ALA 13 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1bzk h PHE 14 N -0.86 0.57 -2.55 0.00 3.57 -1.52 -3.02 116.94 113.14 1bzk h PHE 14 Ca -0.55 0.03 -0.59 0.00 3.53 0.00 0.00 57.97 60.39 1bzk h PHE 14 Cb 1.46 -0.14 -0.39 0.00 2.79 0.00 0.00 35.95 39.68 1bzk h PHE 14 CO -0.11 -0.24 -0.88 -1.12 -2.23 0.00 0.00 178.31 173.74 1bzk s SER 15 N -4.48 2.58 0.00 0.41 0.01 -1.22 -4.99 113.70 106.01 1bzk s SER 15 Ca -0.08 -2.48 0.00 0.00 1.31 0.00 0.00 55.95 54.70 1bzk s SER 15 Cb 0.30 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1bzk s SER 15 CO 0.82 -0.26 0.00 -0.81 0.41 0.00 0.00 173.24 173.39 1bzk n PRO 16 N 3.65 0.00 0.29 12.44 -0.04 -1.14 -3.17 135.00 147.03 1bzk n PRO 16 Ca 0.17 0.08 0.15 0.00 -0.04 0.00 0.00 63.50 63.86 1bzk n PRO 16 Cb 0.40 -0.43 0.90 0.00 -0.04 0.00 0.00 33.50 34.33 1bzk n PRO 16 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1bzk h GLN 17 N 0.00 0.00 0.00 0.54 -0.00 -1.91 0.14 115.11 113.88 1bzk h GLN 17 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.57 1bzk h GLN 17 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 1bzk h GLN 17 CO 0.00 0.01 -0.74 0.28 -0.00 0.00 0.00 178.83 178.38 1bzk h VAL 18 N 0.00 0.46 -0.40 1.86 2.07 -1.95 -3.04 116.25 115.25 1bzk h VAL 18 Ca -0.00 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 1bzk h VAL 18 Cb 0.03 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1bzk h VAL 18 CO 0.00 0.26 0.16 0.25 0.02 0.00 0.00 177.57 178.26 1bzk h LEU 19 N 0.00 0.55 0.28 2.57 6.46 -0.92 -0.50 115.31 123.75 1bzk h LEU 19 Ca -0.04 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.53 1bzk h LEU 19 Cb 1.30 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1bzk h LEU 19 CO 0.04 0.57 -0.13 0.00 -0.62 0.00 0.00 178.44 178.29 1bzk h ALA 20 N 1.00 -0.37 -0.46 1.25 0.00 -1.63 -2.92 119.26 116.14 1bzk h ALA 20 Ca 0.13 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1bzk h ALA 20 Cb 0.19 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 1bzk h ALA 20 CO -0.01 -0.48 -0.46 0.00 0.00 0.00 0.00 179.25 178.30 1bzk h ALA 21 N -0.31 -0.48 -0.84 0.00 0.00 -1.50 0.21 119.26 116.34 1bzk h ALA 21 Ca -0.04 0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.14 1bzk h ALA 21 Cb 0.51 0.97 -0.14 0.00 0.00 0.00 0.00 17.79 19.13 1bzk h ALA 21 CO 0.06 -0.90 0.10 0.28 0.00 0.00 0.00 179.25 178.80 1bzk h VAL 22 N -0.31 0.29 0.58 0.00 2.07 -1.13 -0.60 116.25 117.14 1bzk h VAL 22 Ca 0.14 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1bzk h VAL 22 Cb 0.58 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1bzk h VAL 22 CO -0.61 0.02 -0.28 0.40 0.02 0.00 0.00 177.57 177.12 1bzk h ILE 23 N 0.14 0.41 -1.04 4.57 1.08 -0.44 -1.53 117.51 120.70 1bzk h ILE 23 Ca 0.49 -0.12 0.40 0.00 -0.39 0.00 0.00 64.86 65.25 1bzk h ILE 23 Cb 0.95 0.46 -0.15 0.00 -3.07 0.00 0.00 36.82 35.00 1bzk h ILE 23 CO -0.70 0.02 0.60 0.33 -0.69 0.00 0.00 178.15 177.72 1bzk n PHE 24 N -5.39 0.92 -0.01 1.37 7.35 -0.26 0.22 117.46 121.65 1bzk n PHE 24 Ca -0.12 0.93 -0.16 0.00 -0.76 0.00 0.00 57.45 57.33 1bzk n PHE 24 Cb 0.33 -1.34 -0.11 0.00 0.35 0.00 0.00 39.48 38.71 1bzk n PHE 24 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1bzk h ILE 25 N 0.00 1.47 0.01 -2.13 2.04 -1.11 -2.56 117.51 115.22 1bzk h ILE 25 Ca 0.79 -1.96 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 1bzk h ILE 25 Cb 2.24 2.60 -0.00 0.00 -0.74 0.00 0.00 36.82 40.92 1bzk h ILE 25 CO -0.61 0.56 -0.01 1.88 0.00 0.00 0.00 178.15 179.98 1bzk h TYR 26 N -0.25 -0.01 -1.33 1.37 -1.99 0.36 0.06 116.97 115.17 1bzk h TYR 26 Ca -0.05 0.00 0.41 0.00 2.00 0.00 0.00 58.73 61.09 1bzk h TYR 26 Cb 1.14 0.01 -0.08 0.00 2.00 0.00 0.00 36.73 39.79 1bzk h TYR 26 CO 0.15 -0.01 0.92 0.34 -0.00 0.00 0.00 178.16 179.57 1bzk n PHE 27 N -2.26 0.23 0.39 4.88 7.35 0.12 0.31 117.46 128.47 1bzk n PHE 27 Ca -0.00 0.23 -0.16 0.00 -0.76 0.00 0.00 57.45 56.76 1bzk n PHE 27 Cb 0.00 -0.62 -0.07 0.00 0.35 0.00 0.00 39.48 39.14 1bzk n PHE 27 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1bzk h ALA 28 N 0.96 -1.06 0.00 3.13 0.00 -0.55 -3.14 119.26 118.60 1bzk h ALA 28 Ca 0.70 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1bzk h ALA 28 Cb 2.61 0.40 0.00 0.00 0.00 0.00 0.00 17.79 20.80 1bzk h ALA 28 CO -0.15 -0.98 -0.38 0.00 0.00 0.00 0.00 179.25 177.73 1bzk n ALA 29 N -2.67 0.33 -0.66 0.00 0.00 0.15 -4.44 120.51 113.22 1bzk n ALA 29 Ca -0.13 -0.36 -0.15 0.00 0.00 0.00 0.00 53.44 52.80 1bzk n ALA 29 Cb 0.40 0.01 0.05 0.00 0.00 0.00 0.00 19.45 19.92 1bzk n ALA 29 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1bzk n LEU 30 N -3.84 6.00 -0.15 0.00 -0.00 -0.53 -4.57 117.00 113.91 1bzk n LEU 30 Ca -0.05 -3.08 -0.04 0.00 -0.00 0.00 0.00 56.01 52.83 1bzk n LEU 30 Cb 0.20 -0.94 0.02 0.00 -0.00 0.00 0.00 43.42 42.70 1bzk n LEU 30 CO 0.08 1.10 0.73 0.77 -0.00 0.00 0.00 177.39 180.07 1bzk h SER 31 N 1.19 -0.61 -0.02 1.45 4.64 -1.47 -0.87 113.55 117.85 1bzk h SER 31 Ca 0.30 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1bzk h SER 31 Cb 1.20 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 1bzk h SER 31 CO 0.70 -0.21 0.00 -0.81 -0.87 0.00 0.00 176.83 175.65 1bzk n PRO 32 N -5.38 1.71 -0.01 4.77 -0.04 -1.26 -4.18 135.00 130.61 1bzk n PRO 32 Ca 0.04 -1.03 -0.00 0.00 -0.04 0.00 0.00 63.50 62.46 1bzk n PRO 32 Cb 0.29 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 4.37 0.00 0.34 0.55 0.00 -1.46 -3.15 119.26 119.90 1bzk h ALA 33 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1bzk h ALA 33 Cb 0.53 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1bzk h ALA 33 CO 0.00 0.02 -0.45 0.82 0.00 0.00 0.00 179.25 179.63 1bzk h ILE 34 N -0.15 0.00 -1.46 0.00 2.04 -1.76 -0.02 117.51 116.17 1bzk h ILE 34 Ca 0.00 0.00 0.43 0.00 1.00 0.00 0.00 64.86 66.29 1bzk h ILE 34 Cb 0.02 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.02 1bzk h ILE 34 CO 0.00 0.00 1.02 0.74 0.00 0.00 0.00 178.15 179.91 1bzk h THR 35 N -0.82 0.23 -2.03 -0.27 2.02 -1.78 -3.07 112.91 107.20 1bzk h THR 35 Ca -0.04 -0.02 -0.71 0.00 0.77 0.00 0.00 66.41 66.42 1bzk h THR 35 Cb 0.74 0.18 -0.16 0.00 -1.74 0.00 0.00 68.15 67.17 1bzk h THR 35 CO -0.12 0.01 1.29 -0.36 0.37 0.00 0.00 175.52 176.71 1bzk s PHE 36 N -5.04 3.23 0.00 3.16 0.40 -0.02 -4.77 117.98 114.95 1bzk s PHE 36 Ca -0.06 -1.76 0.00 0.00 -0.60 0.00 0.00 56.93 54.52 1bzk s PHE 36 Cb 0.26 -4.38 0.00 0.00 0.51 0.00 0.00 43.02 39.41 1bzk s PHE 36 CO 0.84 -1.51 0.00 0.41 0.70 0.00 0.00 175.22 175.66 1bzk n GLY 37 N 4.88 -0.80 0.00 4.36 0.00 -1.16 -4.88 105.19 107.59 1bzk n GLY 37 Ca 0.34 0.86 0.00 0.00 0.00 0.00 0.00 46.02 47.22 1bzk n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzk n GLY 38 N 0.00 1.34 3.47 -0.02 0.00 -1.26 -5.10 105.19 103.62 1bzk n GLY 38 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1bzk n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bzk n LEU 39 N 0.00 0.11 0.00 0.99 4.32 -1.26 -4.88 117.00 116.28 1bzk n LEU 39 Ca 0.00 1.00 -0.05 0.00 -0.02 0.00 0.00 56.01 56.95 1bzk n LEU 39 Cb 0.00 -1.12 -0.11 0.00 -1.62 0.00 0.00 43.42 40.57 1bzk n LEU 39 CO 0.00 -2.60 -0.43 -0.11 -1.22 0.00 0.00 177.39 173.03 1bzk n LEU 40 N 1.41 0.85 0.00 2.23 0.00 -1.26 -5.00 117.00 115.23 1bzk n LEU 40 Ca 0.12 0.39 0.00 0.00 0.00 0.00 0.00 56.01 56.52 1bzk n LEU 40 Cb 0.35 0.13 0.00 0.00 0.00 0.00 0.00 43.42 43.91 1bzk n LEU 40 CO 0.56 0.28 0.00 0.61 0.00 0.00 0.00 177.39 178.84 1bzk n GLY 41 N 1.48 -0.73 0.04 -3.96 0.00 -1.26 -5.00 105.19 95.76 1bzk n GLY 41 Ca -0.14 0.38 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 1bzk n GLY 41 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bzk h GLU 42 N 0.00 0.00 -0.02 1.61 5.08 -2.02 -3.55 114.58 115.67 1bzk h GLU 42 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bzk h GLU 42 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bzk h GLU 42 CO 0.00 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.18