#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 0.67 0.01 -1.55 0.18 -1.26 -3.20 117.16 112.00 1bzk n TYR 3 Ca 0.00 0.22 -0.18 0.00 1.88 0.00 0.00 57.90 59.83 1bzk n TYR 3 Cb 0.00 -1.01 -0.13 0.00 -0.38 0.00 0.00 39.34 37.81 1bzk n TYR 3 CO 0.00 0.00 0.00 -1.00 -2.08 0.00 0.00 176.86 173.78 1bzk h PRO 4 N 0.00 0.22 0.04 -3.48 0.13 -2.01 -2.48 132.00 124.42 1bzk h PRO 4 Ca -0.24 -0.34 -0.31 0.00 -0.87 0.00 0.00 66.00 64.24 1bzk h PRO 4 Cb 1.70 0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.91 1bzk h PRO 4 CO 0.04 1.13 -1.79 0.66 -0.23 0.00 0.00 178.00 177.81 1bzk n TYR 5 N -4.30 1.08 -0.08 1.56 4.01 -1.26 -3.62 117.16 114.55 1bzk n TYR 5 Ca -0.12 0.34 -0.11 0.00 -0.16 0.00 0.00 57.90 57.85 1bzk n TYR 5 Cb 0.68 -1.18 -0.05 0.00 -0.31 0.00 0.00 39.34 38.48 1bzk n TYR 5 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1bzk h TYR 6 N 0.02 0.00 -0.40 -0.72 3.20 -1.73 -3.39 116.97 113.95 1bzk h TYR 6 Ca -0.32 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.53 1bzk h TYR 6 Cb 2.02 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.27 1bzk h TYR 6 CO 0.02 0.55 0.19 -0.07 -1.64 0.00 0.00 178.16 177.21 1bzk h LEU 7 N -1.00 0.52 -1.12 2.82 3.38 -1.45 -2.31 115.31 116.15 1bzk h LEU 7 Ca -0.13 -0.13 0.16 0.00 0.09 0.00 0.00 57.88 57.87 1bzk h LEU 7 Cb 0.79 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1bzk h LEU 7 CO -0.08 0.50 0.90 -1.28 0.09 0.00 0.00 178.44 178.57 1bzk h SER 8 N 0.51 0.00 0.00 -0.43 0.87 -1.52 -1.94 113.55 111.04 1bzk h SER 8 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1bzk h SER 8 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1bzk h SER 8 CO -0.02 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 176.75 1bzk n ASP 9 N -3.12 0.00 0.10 6.23 8.00 -0.87 -2.06 116.55 124.83 1bzk n ASP 9 Ca 0.12 0.98 0.09 0.00 0.71 0.00 0.00 54.79 56.68 1bzk n ASP 9 Cb 1.08 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1bzk n ASP 9 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1bzk h ILE 10 N 0.00 0.14 -0.53 0.53 2.04 -1.69 -3.33 117.51 114.67 1bzk h ILE 10 Ca 0.00 -1.25 -0.28 0.00 1.00 0.00 0.00 64.86 64.33 1bzk h ILE 10 Cb 0.00 1.70 -0.16 0.00 -0.74 0.00 0.00 36.82 37.62 1bzk h ILE 10 CO 0.00 0.08 0.36 0.35 0.00 0.00 0.00 178.15 178.94 1bzk n THR 11 N -2.79 2.23 -0.06 -0.27 -2.24 -0.77 -4.33 114.28 106.06 1bzk n THR 11 Ca -0.01 -1.08 -0.16 0.00 -2.27 0.00 0.00 64.05 60.53 1bzk n THR 11 Cb 0.61 -0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 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 0.62 0.87 0.02 3.42 1.82 -1.53 -2.93 116.42 118.72 1bzk h ASP 12 Ca 0.34 -0.57 -0.00 0.00 -0.39 0.00 0.00 57.03 56.40 1bzk h ASP 12 Cb 1.89 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 41.65 1bzk h ASP 12 CO 0.61 1.29 -0.00 0.00 -1.61 0.00 0.00 179.24 179.52 1bzk h ALA 13 N 0.61 1.31 -1.00 -0.78 0.00 -1.88 -2.45 119.26 115.06 1bzk h ALA 13 Ca -0.01 -0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.18 1bzk h ALA 13 Cb 1.18 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 1bzk h ALA 13 CO 0.12 0.00 0.58 0.35 0.00 0.00 0.00 179.25 180.31 1bzk h PHE 14 N 0.00 0.97 -2.69 0.00 3.57 -1.83 -3.16 116.94 113.80 1bzk h PHE 14 Ca -0.00 0.04 -0.60 0.00 3.53 0.00 0.00 57.97 60.94 1bzk h PHE 14 Cb 0.01 -0.27 -0.39 0.00 2.79 0.00 0.00 35.95 38.10 1bzk h PHE 14 CO 0.00 -0.07 -0.82 -1.12 -2.23 0.00 0.00 178.31 174.08 1bzk s SER 15 N -5.04 2.86 -0.11 0.41 0.01 -0.92 -4.95 113.70 105.97 1bzk s SER 15 Ca -0.10 -3.02 -0.06 0.00 1.31 0.00 0.00 55.95 54.08 1bzk s SER 15 Cb 0.29 -0.83 -0.02 0.00 0.21 0.00 0.00 66.02 65.67 1bzk s SER 15 CO 0.79 -0.19 -0.11 1.55 0.41 0.00 0.00 173.24 175.69 1bzk h PRO 16 N 6.02 0.00 -0.05 12.44 0.13 -1.70 -3.03 132.00 145.80 1bzk h PRO 16 Ca 0.15 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.32 1bzk h PRO 16 Cb 0.89 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.97 1bzk h PRO 16 CO 0.46 0.00 -0.22 0.37 -0.23 0.00 0.00 178.00 178.38 1bzk h GLN 17 N -0.84 -0.31 -0.97 0.86 4.15 -1.92 -0.42 115.11 115.66 1bzk h GLN 17 Ca 0.00 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.55 1bzk h GLN 17 Cb 0.33 0.07 -0.08 0.00 0.21 0.00 0.00 27.48 28.01 1bzk h GLN 17 CO 0.00 -0.21 0.62 0.28 -1.93 0.00 0.00 178.83 177.59 1bzk h VAL 18 N -0.32 0.96 -0.66 2.39 2.07 -1.96 -1.27 116.25 117.46 1bzk h VAL 18 Ca 0.07 -0.33 0.14 0.00 0.82 0.00 0.00 66.70 67.40 1bzk h VAL 18 Cb 0.43 -0.11 -0.12 0.00 -1.52 0.00 0.00 31.29 29.97 1bzk h VAL 18 CO -0.23 0.18 -0.09 0.25 0.02 0.00 0.00 177.57 177.69 1bzk h LEU 19 N 0.98 -0.48 -0.00 2.57 7.12 -0.94 0.93 115.31 125.47 1bzk h LEU 19 Ca 0.46 0.18 0.02 0.00 0.13 0.00 0.00 57.88 58.67 1bzk h LEU 19 Cb 0.43 0.36 -0.02 0.00 -0.53 0.00 0.00 40.66 40.90 1bzk h LEU 19 CO -0.22 -0.19 -0.08 0.00 -0.13 0.00 0.00 178.44 177.82 1bzk h ALA 20 N 1.64 -0.08 -0.31 1.25 0.00 -1.03 -2.54 119.26 118.19 1bzk h ALA 20 Ca 0.33 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1bzk h ALA 20 Cb 0.53 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 1bzk h ALA 20 CO -0.63 -0.57 -0.39 0.00 0.00 0.00 0.00 179.25 177.65 1bzk h ALA 21 N 0.85 -0.40 -0.97 0.00 0.00 -0.69 0.11 119.26 118.16 1bzk h ALA 21 Ca 0.03 0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.20 1bzk h ALA 21 Cb 0.18 0.79 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 1bzk h ALA 21 CO -0.09 -0.84 0.62 0.28 0.00 0.00 0.00 179.25 179.22 1bzk h VAL 22 N -0.36 0.67 0.00 0.00 2.07 -0.88 0.17 116.25 117.93 1bzk h VAL 22 Ca 0.13 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 1bzk h VAL 22 Cb 0.58 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1bzk h VAL 22 CO -0.50 0.10 -0.57 0.40 0.02 0.00 0.00 177.57 177.02 1bzk h ILE 23 N 0.56 1.07 -0.30 4.57 1.08 -0.45 -2.25 117.51 121.79 1bzk h ILE 23 Ca 0.54 -2.25 -0.08 0.00 -0.39 0.00 0.00 64.86 62.68 1bzk h ILE 23 Cb 1.11 2.35 -0.02 0.00 -3.07 0.00 0.00 36.82 37.19 1bzk h ILE 23 CO -0.28 0.56 -0.16 0.15 -0.69 0.00 0.00 178.15 177.73 1bzk h PHE 24 N 0.00 0.58 0.03 1.37 3.57 0.13 0.22 116.94 122.83 1bzk h PHE 24 Ca -0.01 -0.10 -0.23 0.00 3.53 0.00 0.00 57.97 61.16 1bzk h PHE 24 Cb 1.30 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 1bzk h PHE 24 CO 0.00 0.66 -1.14 0.82 -2.23 0.00 0.00 178.31 176.42 1bzk h ILE 25 N 0.48 1.56 0.00 1.41 1.08 -1.41 -2.51 117.51 118.13 1bzk h ILE 25 Ca 0.08 -3.26 -0.07 0.00 -0.39 0.00 0.00 64.86 61.23 1bzk h ILE 25 Cb 0.55 2.82 -0.01 0.00 -3.07 0.00 0.00 36.82 37.11 1bzk h ILE 25 CO 0.04 0.91 -0.32 1.88 -0.69 0.00 0.00 178.15 179.96 1bzk h TYR 26 N 0.02 0.00 -0.07 1.37 0.05 -0.94 -1.44 116.97 115.96 1bzk h TYR 26 Ca -0.07 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.49 1bzk h TYR 26 Cb 1.84 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.59 1bzk h TYR 26 CO 0.01 0.32 -0.84 0.35 -1.05 0.00 0.00 178.16 176.95 1bzk h PHE 27 N 0.00 0.76 0.69 4.88 3.57 -0.88 0.18 116.94 126.14 1bzk h PHE 27 Ca -0.00 -0.36 -0.03 0.00 3.53 0.00 0.00 57.97 61.10 1bzk h PHE 27 Cb 0.63 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.27 1bzk h PHE 27 CO 0.00 1.17 -0.33 0.00 -2.23 0.00 0.00 178.31 176.92 1bzk h ALA 28 N 0.72 -0.93 0.00 2.41 0.00 -0.91 -2.83 119.26 117.73 1bzk h ALA 28 Ca -0.06 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1bzk h ALA 28 Cb 1.45 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 1bzk h ALA 28 CO 0.15 -0.89 -0.90 0.00 0.00 0.00 0.00 179.25 177.61 1bzk h ALA 29 N -1.12 0.15 0.00 0.00 0.00 -1.40 -3.36 119.26 113.53 1bzk h ALA 29 Ca -0.09 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1bzk h ALA 29 Cb 0.73 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1bzk h ALA 29 CO 0.16 0.59 0.00 -0.11 0.00 0.00 0.00 179.25 179.88 1bzk n LEU 30 N -4.52 0.53 -0.12 0.00 7.94 0.55 -4.05 117.00 117.33 1bzk n LEU 30 Ca -0.21 -0.26 -0.06 0.00 -1.11 0.00 0.00 56.01 54.36 1bzk n LEU 30 Cb 0.50 -0.26 0.02 0.00 0.53 0.00 0.00 43.42 44.21 1bzk n LEU 30 CO 0.16 0.13 0.96 0.77 -1.11 0.00 0.00 177.39 178.30 1bzk h SER 31 N 0.14 0.21 0.54 1.96 4.64 -1.08 -3.09 113.55 116.87 1bzk h SER 31 Ca 0.00 0.03 -0.29 0.00 -0.47 0.00 0.00 61.79 61.07 1bzk h SER 31 Cb 0.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.32 1bzk h SER 31 CO 0.00 0.16 -1.60 1.55 -0.87 0.00 0.00 176.83 176.07 1bzk h PRO 32 N 0.34 0.04 -1.40 4.77 0.13 -1.85 -3.36 132.00 130.66 1bzk h PRO 32 Ca 0.17 -0.08 0.42 0.00 -0.87 0.00 0.00 66.00 65.65 1bzk h PRO 32 Cb 0.12 0.03 -0.10 0.00 0.13 0.00 0.00 31.00 31.18 1bzk h PRO 32 CO -0.15 0.69 0.95 0.00 -0.23 0.00 0.00 178.00 179.26 1bzk h ALA 33 N 0.88 3.00 -0.14 -0.56 0.00 -1.74 0.66 119.26 121.35 1bzk h ALA 33 Ca -0.25 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1bzk h ALA 33 Cb 1.98 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.91 1bzk h ALA 33 CO 0.10 -1.52 -0.13 0.82 0.00 0.00 0.00 179.25 178.51 1bzk h ILE 34 N 0.09 1.35 0.00 0.00 5.03 -1.71 -2.63 117.51 119.64 1bzk h ILE 34 Ca 0.76 -1.28 0.00 0.00 -0.12 0.00 0.00 64.86 64.22 1bzk h ILE 34 Cb 2.63 1.88 0.00 0.00 -3.03 0.00 0.00 36.82 38.30 1bzk h ILE 34 CO -0.23 0.37 0.00 0.74 -0.68 0.00 0.00 178.15 178.35 1bzk h THR 35 N -0.05 0.00 0.00 -0.27 2.02 0.05 -3.36 112.91 111.31 1bzk h THR 35 Ca 0.02 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1bzk h THR 35 Cb 0.65 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1bzk h THR 35 CO 0.03 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.41 1bzk n PHE 36 N -2.31 0.00 0.00 3.16 3.01 -0.50 -5.06 117.46 115.76 1bzk n PHE 36 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1bzk n PHE 36 Cb 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1bzk n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bzk n GLY 37 N 3.53 -0.08 2.74 1.37 0.00 -1.21 -5.11 105.19 106.44 1bzk n GLY 37 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.14 0.00 -0.02 0.00 -1.26 -4.97 105.19 98.80 1bzk n GLY 38 Ca 0.00 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.38 1bzk n GLY 38 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1bzk n LEU 39 N 1.47 0.00 -0.00 0.99 -0.00 -1.26 -3.95 117.00 114.25 1bzk n LEU 39 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1bzk n LEU 39 Cb 0.65 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1bzk n LEU 39 CO 0.02 0.00 0.02 0.25 -0.00 0.00 0.00 177.39 177.68 1bzk h LEU 40 N 0.00 -0.00 -7.57 1.47 6.46 -2.02 -3.44 115.31 110.21 1bzk h LEU 40 Ca 0.00 0.00 -0.65 0.00 -0.12 0.00 0.00 57.88 57.11 1bzk h LEU 40 Cb 0.00 0.00 -0.40 0.00 -0.73 0.00 0.00 40.66 39.53 1bzk h LEU 40 CO 0.00 0.03 -0.72 -0.83 -0.62 0.00 0.00 178.44 176.30 1bzk s GLY 41 N -2.05 1.87 -0.10 3.75 0.00 -1.25 -4.98 107.32 104.56 1bzk s GLY 41 Ca -0.00 -2.50 -0.02 0.00 0.00 0.00 0.00 44.72 42.19 1bzk s GLY 41 CO 0.00 1.05 0.05 -2.09 0.00 0.00 0.00 173.10 172.11 1bzk h GLU 42 N 7.53 0.00 0.00 2.90 4.22 -1.86 -3.49 114.58 123.88 1bzk h GLU 42 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.38 1bzk h GLU 42 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1bzk h GLU 42 CO 0.53 0.07 0.00 0.36 -2.18 0.00 0.00 179.01 177.79