#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 3.37 -0.02 -0.14 1.51 -1.26 -4.92 117.35 115.90 1bzk s TYR 3 Ca 0.00 -1.71 -0.01 0.00 -1.01 0.00 0.00 57.07 54.34 1bzk s TYR 3 Cb 0.00 -2.90 -0.27 0.00 -0.11 0.00 0.00 41.96 38.68 1bzk s TYR 3 CO 0.00 -0.86 0.77 -1.00 -1.11 0.00 0.00 175.55 173.35 1bzk h PRO 4 N 8.30 0.21 0.00 -1.71 0.13 -2.01 -3.24 132.00 133.69 1bzk h PRO 4 Ca -0.21 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1bzk h PRO 4 Cb 1.07 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1bzk h PRO 4 CO 0.72 1.04 -0.61 1.88 -0.23 0.00 0.00 178.00 180.80 1bzk h TYR 5 N 0.06 0.00 0.06 1.56 -1.99 -1.91 -1.84 116.97 112.91 1bzk h TYR 5 Ca -0.27 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.32 1bzk h TYR 5 Cb 2.01 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.76 1bzk h TYR 5 CO 0.05 0.00 -0.58 -0.92 -0.00 0.00 0.00 178.16 176.72 1bzk h TYR 6 N 0.00 0.46 0.17 4.88 3.20 -1.97 -3.10 116.97 120.61 1bzk h TYR 6 Ca 0.00 -0.30 -0.35 0.00 3.14 0.00 0.00 58.73 61.22 1bzk h TYR 6 Cb 0.97 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.21 1bzk h TYR 6 CO 0.00 1.17 -1.80 -0.07 -1.64 0.00 0.00 178.16 175.82 1bzk h LEU 7 N -0.38 0.56 -0.87 2.82 3.38 -1.69 -3.33 115.31 115.80 1bzk h LEU 7 Ca -0.09 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 56.97 1bzk h LEU 7 Cb 1.38 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1bzk h LEU 7 CO 0.11 1.78 0.00 -1.20 0.09 0.00 0.00 178.44 179.22 1bzk n SER 8 N -3.55 1.04 0.00 -0.43 7.64 -0.69 -1.33 113.62 116.29 1bzk n SER 8 Ca -0.26 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.57 1bzk n SER 8 Cb 1.07 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 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 -0.08 0.00 -0.02 6.43 5.68 -1.17 -4.70 116.55 122.70 1bzk n ASP 9 Ca 0.02 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.24 1bzk n ASP 9 Cb 0.23 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.08 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 1.55 -0.22 2.12 5.41 -1.26 -3.90 119.36 123.06 1bzk n ILE 10 Ca 0.00 -0.78 -0.13 0.00 1.00 0.00 0.00 62.75 62.84 1bzk n ILE 10 Cb 0.00 -0.99 0.09 0.00 -0.71 0.00 0.00 39.64 38.03 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 -3.02 2.20 0.00 1.39 -2.24 -1.26 -4.24 114.28 107.11 1bzk n THR 11 Ca -0.16 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.56 1bzk n THR 11 Cb 1.03 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.29 0.00 -1.11 3.42 -0.08 -0.44 -4.33 116.55 113.71 1bzk n ASP 12 Ca 0.31 0.63 0.09 0.00 -1.51 0.00 0.00 54.79 54.31 1bzk n ASP 12 Cb 1.06 -0.50 0.27 0.00 2.34 0.00 0.00 41.12 44.28 1bzk n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bzk n ALA 13 N -1.99 2.43 0.07 -1.67 0.00 -1.26 -4.37 120.51 113.71 1bzk n ALA 13 Ca 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 53.44 52.08 1bzk n ALA 13 Cb 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 3.35 -0.20 -2.03 0.00 3.57 -1.75 -3.43 116.94 116.45 1bzk h PHE 14 Ca 0.00 -0.00 -0.52 0.00 3.53 0.00 0.00 57.97 60.98 1bzk h PHE 14 Cb 0.98 0.07 -0.35 0.00 2.79 0.00 0.00 35.95 39.44 1bzk h PHE 14 CO 0.44 -0.12 -0.93 0.45 -2.23 0.00 0.00 178.31 175.92 1bzk n SER 15 N -3.42 -0.82 -0.02 0.41 2.88 -1.26 -4.98 113.62 106.40 1bzk n SER 15 Ca -0.03 -2.54 -0.02 0.00 -1.33 0.00 0.00 58.87 54.96 1bzk n SER 15 Cb 0.08 -0.19 -0.01 0.00 -0.75 0.00 0.00 64.21 63.34 1bzk n SER 15 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bzk n PRO 16 N 2.52 0.14 -0.29 -1.46 -0.04 -1.26 -3.06 135.00 131.55 1bzk n PRO 16 Ca 0.26 0.29 -0.02 0.00 -0.04 0.00 0.00 63.50 63.99 1bzk n PRO 16 Cb 0.51 -0.99 0.10 0.00 -0.04 0.00 0.00 33.50 33.07 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 -0.30 0.95 0.00 0.54 4.20 -1.94 0.57 115.11 119.13 1bzk h GLN 17 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1bzk h GLN 17 Cb 0.18 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1bzk h GLN 17 CO 0.00 0.63 0.00 0.28 -0.67 0.00 0.00 178.83 179.07 1bzk h VAL 18 N 0.97 0.00 -0.19 -0.54 2.07 -1.96 -2.74 116.25 113.87 1bzk h VAL 18 Ca 0.33 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1bzk h VAL 18 Cb 0.04 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1bzk h VAL 18 CO -0.12 0.00 0.03 0.25 0.02 0.00 0.00 177.57 177.74 1bzk h LEU 19 N 0.00 0.31 0.17 2.57 6.46 -0.81 -0.17 115.31 123.85 1bzk h LEU 19 Ca 0.00 -0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.48 1bzk h LEU 19 Cb 0.63 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1bzk h LEU 19 CO 0.00 0.50 -0.08 0.00 -0.62 0.00 0.00 178.44 178.24 1bzk h ALA 20 N 0.82 -0.23 -0.32 1.25 0.00 -1.42 -2.48 119.26 116.87 1bzk h ALA 20 Ca 0.06 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1bzk h ALA 20 Cb 0.33 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1bzk h ALA 20 CO 0.00 -0.38 -0.38 0.00 0.00 0.00 0.00 179.25 178.49 1bzk h ALA 21 N -0.06 -0.36 -0.54 0.00 0.00 -1.51 0.82 119.26 117.61 1bzk h ALA 21 Ca -0.02 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1bzk h ALA 21 Cb 0.51 0.77 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 1bzk h ALA 21 CO 0.04 -0.82 0.05 0.28 0.00 0.00 0.00 179.25 178.80 1bzk h VAL 22 N -0.34 0.62 0.00 0.00 2.07 -1.07 0.16 116.25 117.69 1bzk h VAL 22 Ca 0.14 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1bzk h VAL 22 Cb 0.57 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1bzk h VAL 22 CO -0.50 0.03 -0.14 0.40 0.02 0.00 0.00 177.57 177.37 1bzk h ILE 23 N 0.17 0.74 -0.47 4.57 1.08 -0.64 -1.62 117.51 121.34 1bzk h ILE 23 Ca 0.28 -0.58 -0.06 0.00 -0.39 0.00 0.00 64.86 64.11 1bzk h ILE 23 Cb 0.41 1.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.49 1bzk h ILE 23 CO -0.41 0.14 0.03 0.15 -0.69 0.00 0.00 178.15 177.37 1bzk h PHE 24 N 0.00 0.78 -0.06 1.37 3.04 0.16 0.18 116.94 122.42 1bzk h PHE 24 Ca -0.00 -0.09 -0.20 0.00 3.98 0.00 0.00 57.97 61.65 1bzk h PHE 24 Cb 0.34 -0.22 0.01 0.00 2.56 0.00 0.00 35.95 38.64 1bzk h PHE 24 CO 0.00 0.71 -0.76 0.82 -2.02 0.00 0.00 178.31 177.07 1bzk h ILE 25 N 0.71 1.33 0.57 1.41 2.04 -1.05 -2.56 117.51 119.96 1bzk h ILE 25 Ca 0.15 -2.05 -0.03 0.00 1.00 0.00 0.00 64.86 63.93 1bzk h ILE 25 Cb 0.39 2.31 0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1bzk h ILE 25 CO 0.01 0.62 -0.27 1.88 0.00 0.00 0.00 178.15 180.39 1bzk h TYR 26 N 0.24 -0.71 -1.59 1.37 -1.99 -1.05 -0.84 116.97 112.40 1bzk h TYR 26 Ca -0.08 -0.02 0.48 0.00 2.00 0.00 0.00 58.73 61.11 1bzk h TYR 26 Cb 1.42 0.24 -0.08 0.00 2.00 0.00 0.00 36.73 40.30 1bzk h TYR 26 CO 0.11 -0.44 1.13 1.19 -0.00 0.00 0.00 178.16 180.15 1bzk n PHE 27 N -4.11 0.13 0.01 4.88 3.01 0.60 -0.04 117.46 121.94 1bzk n PHE 27 Ca -0.10 0.13 -0.10 0.00 1.01 0.00 0.00 57.45 58.40 1bzk n PHE 27 Cb 0.30 -0.56 -0.08 0.00 -0.01 0.00 0.00 39.48 39.13 1bzk n PHE 27 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1bzk h ALA 28 N 0.97 -0.12 -3.00 4.37 0.00 -0.76 -3.42 119.26 117.30 1bzk h ALA 28 Ca 0.80 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1bzk h ALA 28 Cb 3.08 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.92 1bzk h ALA 28 CO -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 178.97 1bzk n ALA 29 N -2.59 0.00 -1.48 0.00 0.00 0.95 -4.83 120.51 112.56 1bzk n ALA 29 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1bzk n ALA 29 Cb 0.28 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.07 6.01 -0.03 0.00 -0.00 -1.21 -4.65 117.00 117.05 1bzk n LEU 30 Ca 0.00 -4.11 -0.13 0.00 -0.00 0.00 0.00 56.01 51.77 1bzk n LEU 30 Cb 0.00 -0.74 -0.09 0.00 -0.00 0.00 0.00 43.42 42.59 1bzk n LEU 30 CO 0.00 1.46 0.57 -1.28 -0.00 0.00 0.00 177.39 178.14 1bzk h SER 31 N 1.56 0.18 -0.20 1.45 0.87 -1.63 -3.12 113.55 112.66 1bzk h SER 31 Ca 0.47 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1bzk h SER 31 Cb 1.60 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1bzk h SER 31 CO 1.01 0.70 0.00 -0.81 -0.53 0.00 0.00 176.83 177.20 1bzk n PRO 32 N -4.68 2.02 -0.08 2.24 -0.04 -1.26 -3.86 135.00 129.34 1bzk n PRO 32 Ca -0.08 -0.95 -0.08 0.00 -0.04 0.00 0.00 63.50 62.35 1bzk n PRO 32 Cb 0.34 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 32.20 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 2.90 0.06 0.01 0.55 0.00 -1.84 -3.17 119.26 117.77 1bzk h ALA 33 Ca 0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 1bzk h ALA 33 Cb 0.76 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1bzk h ALA 33 CO 0.11 0.54 -0.01 0.82 0.00 0.00 0.00 179.25 180.72 1bzk h ILE 34 N -1.00 1.52 0.00 0.00 2.04 -1.73 -3.18 117.51 115.16 1bzk h ILE 34 Ca -0.07 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 63.81 1bzk h ILE 34 Cb 0.67 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 1bzk h ILE 34 CO -0.05 0.49 0.00 0.35 0.00 0.00 0.00 178.15 178.94 1bzk n THR 35 N -4.68 0.66 -1.51 -0.27 -2.24 -1.25 -4.82 114.28 100.17 1bzk n THR 35 Ca -0.09 0.17 -0.55 0.00 -2.27 0.00 0.00 64.05 61.31 1bzk n THR 35 Cb 0.39 -0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 67.61 1bzk n THR 35 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1bzk n PHE 36 N -1.30 0.69 -2.10 4.78 7.35 -1.20 -4.71 117.46 120.98 1bzk n PHE 36 Ca 0.06 0.93 -0.28 0.00 -0.76 0.00 0.00 57.45 57.40 1bzk n PHE 36 Cb 0.11 -2.13 -0.05 0.00 0.35 0.00 0.00 39.48 37.75 1bzk n PHE 36 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1bzk s GLY 37 N -0.08 0.27 0.00 7.13 0.00 -1.26 -4.40 107.32 108.98 1bzk s GLY 37 Ca 0.84 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1bzk s GLY 37 CO 0.55 3.46 0.57 0.61 0.00 0.00 0.00 173.10 178.28 1bzk n GLY 38 N 6.38 -2.00 0.91 0.20 0.00 -1.26 -5.06 105.19 104.36 1bzk n GLY 38 Ca 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.08 0.00 -2.15 0.99 -0.00 -1.26 -4.89 117.00 109.62 1bzk n LEU 39 Ca 0.00 -0.25 -0.28 0.00 -0.00 0.00 0.00 56.01 55.48 1bzk n LEU 39 Cb 0.46 -0.28 0.09 0.00 -0.00 0.00 0.00 43.42 43.68 1bzk n LEU 39 CO 0.00 -1.88 1.10 0.00 -0.00 0.00 0.00 177.39 176.61 1bzk n LEU 40 N 0.00 6.68 0.00 1.47 -0.00 -1.26 -4.31 117.00 119.58 1bzk n LEU 40 Ca 0.04 -4.25 0.00 0.00 -0.00 0.00 0.00 56.01 51.80 1bzk n LEU 40 Cb 0.17 -0.80 0.00 0.00 -0.00 0.00 0.00 43.42 42.79 1bzk n LEU 40 CO 0.11 1.53 0.31 0.61 -0.00 0.00 0.00 177.39 179.95 1bzk n GLY 41 N -0.93 0.27 0.14 1.47 0.00 -1.26 -4.73 105.19 100.15 1bzk n GLY 41 Ca 0.56 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.34 1bzk n GLY 41 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1bzk h GLU 42 N 0.00 0.50 0.00 1.61 4.22 -1.95 -3.54 114.58 115.42 1bzk h GLU 42 Ca 0.00 -0.83 0.00 0.00 0.08 0.00 0.00 59.36 58.61 1bzk h GLU 42 Cb 0.42 0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1bzk h GLU 42 CO 0.00 1.39 0.00 0.36 -2.18 0.00 0.00 179.01 178.58