#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 -2.99 -0.07 -1.55 0.18 -1.26 -5.01 117.16 106.47 1bzk n TYR 3 Ca 0.00 -1.94 -0.08 0.00 1.88 0.00 0.00 57.90 57.76 1bzk n TYR 3 Cb 0.00 1.15 -0.04 0.00 -0.38 0.00 0.00 39.34 40.07 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 4.90 0.00 -0.17 -3.48 0.13 -2.06 -3.35 132.00 127.97 1bzk h PRO 4 Ca 0.07 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.25 1bzk h PRO 4 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1bzk h PRO 4 CO 0.16 0.30 0.40 1.88 -0.23 0.00 0.00 178.00 180.51 1bzk h TYR 5 N -1.00 0.00 -0.49 1.56 -1.99 -1.99 0.22 116.97 113.28 1bzk h TYR 5 Ca -0.07 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.68 1bzk h TYR 5 Cb 0.57 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.27 1bzk h TYR 5 CO -0.04 0.00 0.30 -0.92 -0.00 0.00 0.00 178.16 177.50 1bzk h TYR 6 N 0.00 0.57 -0.08 4.88 3.20 -1.98 -1.93 116.97 121.63 1bzk h TYR 6 Ca 0.08 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.83 1bzk h TYR 6 Cb 0.87 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1bzk h TYR 6 CO 0.00 0.33 -0.56 -0.07 -1.64 0.00 0.00 178.16 176.22 1bzk h LEU 7 N 0.61 0.26 0.00 2.82 4.07 -1.14 -2.92 115.31 119.01 1bzk h LEU 7 Ca 0.19 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1bzk h LEU 7 Cb -0.01 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.66 1bzk h LEU 7 CO -0.08 0.77 0.04 -0.24 -1.08 0.00 0.00 178.44 177.86 1bzk n SER 8 N -3.91 0.00 0.00 -0.43 2.88 -0.73 -3.39 113.62 108.04 1bzk n SER 8 Ca -0.02 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1bzk n SER 8 Cb 0.59 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1bzk n SER 8 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1bzk n ASP 9 N -1.42 0.00 0.25 -3.46 5.68 -1.10 -2.81 116.55 113.68 1bzk n ASP 9 Ca 0.00 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.43 1bzk n ASP 9 Cb 0.04 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 40.60 1bzk n ASP 9 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1bzk h ILE 10 N 0.00 0.30 0.00 2.12 1.08 -1.86 -2.81 117.51 116.34 1bzk h ILE 10 Ca 0.00 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 1bzk h ILE 10 Cb 0.00 1.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 1bzk h ILE 10 CO 0.00 0.11 0.00 0.35 -0.69 0.00 0.00 178.15 177.92 1bzk n THR 11 N -3.27 0.97 1.40 -0.27 -2.24 -1.22 -1.62 114.28 108.04 1bzk n THR 11 Ca 0.00 0.24 0.14 0.00 -2.27 0.00 0.00 64.05 62.16 1bzk n THR 11 Cb 0.36 -1.07 0.45 0.00 -2.10 0.00 0.00 70.33 67.98 1bzk n THR 11 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bzk n ASP 12 N -1.37 1.52 0.07 3.42 5.75 -1.06 -3.85 116.55 121.03 1bzk n ASP 12 Ca 0.04 -1.41 0.11 0.00 -0.01 0.00 0.00 54.79 53.52 1bzk n ASP 12 Cb 0.10 0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.19 1bzk n ASP 12 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bzk n ALA 13 N 0.09 2.67 0.15 2.12 0.00 -0.64 -3.26 120.51 121.64 1bzk n ALA 13 Ca 0.17 -0.32 0.10 0.00 0.00 0.00 0.00 53.44 53.39 1bzk n ALA 13 Cb 0.37 -1.01 0.07 0.00 0.00 0.00 0.00 19.45 18.88 1bzk n ALA 13 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bzk h PHE 14 N 0.00 0.00 -1.63 0.00 0.04 -1.72 -3.39 116.94 110.25 1bzk h PHE 14 Ca 0.00 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.32 1bzk h PHE 14 Cb 0.97 0.00 -0.35 0.00 2.20 0.00 0.00 35.95 38.77 1bzk h PHE 14 CO 0.00 0.12 -1.04 0.45 -0.60 0.00 0.00 178.31 177.23 1bzk n SER 15 N -2.96 0.09 -0.04 2.17 2.88 -1.26 -4.95 113.62 109.56 1bzk n SER 15 Ca 0.01 -3.07 -0.02 0.00 -1.33 0.00 0.00 58.87 54.46 1bzk n SER 15 Cb 0.59 -0.15 -0.01 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.56 0.23 0.28 -1.46 -0.04 -1.20 -3.54 135.00 129.82 1bzk n PRO 16 Ca 0.21 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1bzk n PRO 16 Cb 0.64 -1.19 0.80 0.00 -0.04 0.00 0.00 33.50 33.71 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 -0.49 0.00 0.00 0.54 1.08 -1.92 -0.03 115.11 114.29 1bzk h GLN 17 Ca 0.00 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1bzk h GLN 17 Cb 0.27 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1bzk h GLN 17 CO 0.00 0.02 -0.46 0.28 -0.95 0.00 0.00 178.83 177.72 1bzk h VAL 18 N 0.00 1.01 0.19 -0.54 2.07 -1.93 -2.79 116.25 114.25 1bzk h VAL 18 Ca -0.00 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 1bzk h VAL 18 Cb 0.04 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1bzk h VAL 18 CO 0.00 0.45 -0.09 0.25 0.02 0.00 0.00 177.57 178.20 1bzk h LEU 19 N 0.00 -0.21 -0.60 2.57 5.85 -1.04 -1.46 115.31 120.42 1bzk h LEU 19 Ca -0.00 -0.25 0.12 0.00 0.84 0.00 0.00 57.88 58.59 1bzk h LEU 19 Cb 1.02 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.01 1bzk h LEU 19 CO 0.06 0.15 0.09 0.00 -0.34 0.00 0.00 178.44 178.41 1bzk h ALA 20 N 0.12 0.69 -0.13 1.25 0.00 -1.53 -0.83 119.26 118.82 1bzk h ALA 20 Ca -0.03 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1bzk h ALA 20 Cb 0.44 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1bzk h ALA 20 CO 0.04 -0.34 -0.30 0.00 0.00 0.00 0.00 179.25 178.66 1bzk h ALA 21 N 1.50 -0.33 -1.09 0.00 0.00 -1.32 0.23 119.26 118.26 1bzk h ALA 21 Ca 0.32 0.03 0.31 0.00 0.00 0.00 0.00 54.91 55.57 1bzk h ALA 21 Cb 0.49 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1bzk h ALA 21 CO -0.44 -0.77 0.77 0.28 0.00 0.00 0.00 179.25 179.09 1bzk h VAL 22 N -0.37 0.46 0.10 0.00 2.07 -0.06 0.48 116.25 118.93 1bzk h VAL 22 Ca 0.10 -0.03 -0.27 0.00 0.82 0.00 0.00 66.70 67.32 1bzk h VAL 22 Cb 0.52 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1bzk h VAL 22 CO -0.34 0.01 -1.17 0.40 0.02 0.00 0.00 177.57 176.49 1bzk h ILE 23 N 0.07 1.43 -0.65 4.57 2.04 -0.12 0.25 117.51 125.10 1bzk h ILE 23 Ca 0.54 -2.77 -0.00 0.00 1.00 0.00 0.00 64.86 63.62 1bzk h ILE 23 Cb 2.00 2.76 -0.03 0.00 -0.74 0.00 0.00 36.82 40.81 1bzk h ILE 23 CO -0.06 0.82 0.40 0.15 0.00 0.00 0.00 178.15 179.46 1bzk h PHE 24 N 0.15 0.84 0.00 1.37 3.57 0.13 0.33 116.94 123.34 1bzk h PHE 24 Ca -0.13 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.19 1bzk h PHE 24 Cb 1.86 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.30 1bzk h PHE 24 CO 0.07 0.56 -0.83 0.82 -2.23 0.00 0.00 178.31 176.70 1bzk h ILE 25 N 0.88 1.54 0.00 1.41 2.04 -1.35 -1.67 117.51 120.35 1bzk h ILE 25 Ca 0.23 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1bzk h ILE 25 Cb -0.05 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1bzk h ILE 25 CO -0.05 0.77 0.00 1.88 0.00 0.00 0.00 178.15 180.76 1bzk h TYR 26 N 0.05 0.00 0.16 1.37 0.05 0.05 -1.90 116.97 116.74 1bzk h TYR 26 Ca -0.02 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.42 1bzk h TYR 26 Cb 1.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.20 1bzk h TYR 26 CO 0.01 0.00 -1.72 0.35 -1.05 0.00 0.00 178.16 175.75 1bzk h PHE 27 N 0.00 0.61 -0.41 4.88 3.57 0.12 -2.67 116.94 123.04 1bzk h PHE 27 Ca 0.00 -0.45 0.08 0.00 3.53 0.00 0.00 57.97 61.14 1bzk h PHE 27 Cb 0.36 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 1bzk h PHE 27 CO 0.00 1.60 -0.13 0.00 -2.23 0.00 0.00 178.31 177.54 1bzk h ALA 28 N 0.23 0.22 0.01 2.41 0.00 -0.50 -1.01 119.26 120.63 1bzk h ALA 28 Ca -0.33 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1bzk h ALA 28 Cb 2.07 0.37 0.01 0.00 0.00 0.00 0.00 17.79 20.23 1bzk h ALA 28 CO 0.16 -0.48 -0.24 0.00 0.00 0.00 0.00 179.25 178.69 1bzk h ALA 29 N 1.34 0.02 0.00 0.00 0.00 -1.64 -3.24 119.26 115.73 1bzk h ALA 29 Ca 0.20 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1bzk h ALA 29 Cb 0.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bzk h ALA 29 CO -0.45 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.16 1bzk n LEU 30 N -4.51 0.00 -0.20 0.00 7.99 -1.01 -3.92 117.00 115.36 1bzk n LEU 30 Ca -0.10 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 55.85 1bzk n LEU 30 Cb 0.51 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.83 1bzk n LEU 30 CO 0.39 0.00 0.63 0.77 -1.51 0.00 0.00 177.39 177.67 1bzk h SER 31 N 0.00 -1.14 0.67 -1.43 4.64 -1.22 -1.78 113.55 113.29 1bzk h SER 31 Ca 0.00 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1bzk h SER 31 Cb 0.00 0.57 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1bzk h SER 31 CO 0.00 -0.30 -1.10 -0.81 -0.87 0.00 0.00 176.83 173.74 1bzk n PRO 32 N -5.43 0.48 0.11 4.77 -0.04 -1.25 -4.19 135.00 129.45 1bzk n PRO 32 Ca 0.04 0.03 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1bzk n PRO 32 Cb 0.35 -1.69 0.03 0.00 -0.04 0.00 0.00 33.50 32.15 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 2.23 0.64 -0.96 0.55 0.00 -1.60 -2.94 119.26 117.17 1bzk h ALA 33 Ca 0.00 -0.65 0.14 0.00 0.00 0.00 0.00 54.91 54.41 1bzk h ALA 33 Cb 0.88 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 1bzk h ALA 33 CO 0.00 0.89 0.61 -0.84 0.00 0.00 0.00 179.25 179.91 1bzk h ILE 34 N 0.00 0.84 0.00 0.00 3.07 -1.51 -0.52 117.51 119.39 1bzk h ILE 34 Ca -0.01 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.12 1bzk h ILE 34 Cb 1.43 -0.06 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 1bzk h ILE 34 CO 0.09 0.15 -0.99 1.07 -1.05 0.00 0.00 178.15 177.42 1bzk n THR 35 N -4.62 0.56 0.00 0.16 5.66 -1.22 -4.69 114.28 110.12 1bzk n THR 35 Ca 0.19 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 1bzk n THR 35 Cb 0.45 -0.28 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 1bzk n THR 35 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1bzk n PHE 36 N -2.58 0.00 -3.22 1.09 3.01 -0.22 -5.03 117.46 110.51 1bzk n PHE 36 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 1bzk n PHE 36 Cb 0.53 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.02 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 3.29 2.31 0.00 1.37 0.00 -1.08 -5.06 105.19 106.02 1bzk n GLY 37 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 3.09 0.89 3.44 -0.02 0.00 -1.26 -4.52 105.19 106.81 1bzk n GLY 38 Ca 0.03 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 0.04 0.00 0.99 -0.00 -1.26 -4.95 117.00 111.82 1bzk n LEU 39 Ca 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 56.01 56.82 1bzk n LEU 39 Cb 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.30 1bzk n LEU 39 CO 0.00 -3.11 0.00 -0.11 -0.00 0.00 0.00 177.39 174.17 1bzk n LEU 40 N 1.04 0.32 0.00 1.47 7.94 -1.26 -4.82 117.00 121.69 1bzk n LEU 40 Ca 0.11 0.28 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 1bzk n LEU 40 Cb 0.44 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.97 1bzk n LEU 40 CO 0.53 -0.42 0.00 0.61 -1.11 0.00 0.00 177.39 177.00 1bzk n GLY 41 N 1.94 0.84 0.11 -3.96 0.00 -1.26 -0.70 105.19 102.15 1bzk n GLY 41 Ca 0.00 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.48 1bzk n GLY 41 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bzk n GLU 42 N 0.00 0.17 -0.60 1.61 2.13 -1.26 -5.32 120.64 117.37 1bzk n GLU 42 Ca 0.00 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.21 1bzk n GLU 42 Cb 0.00 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 29.90 1bzk n GLU 42 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89