#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bfy n LYS 2 N 0.00 -2.60 -1.94 3.17 5.02 -1.26 -4.78 118.16 115.76 1bfy n LYS 2 Ca 0.00 1.99 -0.30 0.00 -2.02 0.00 0.00 58.31 57.99 1bfy n LYS 2 Cb 0.00 -3.09 0.05 0.00 -0.02 0.00 0.00 35.03 31.97 1bfy n LYS 2 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bfy s LYS 3 N -3.27 2.79 -0.01 1.97 1.02 -1.22 -4.43 119.74 116.59 1bfy s LYS 3 Ca 0.00 0.38 -0.02 0.00 0.02 0.00 0.00 55.97 56.35 1bfy s LYS 3 Cb 0.00 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 1bfy s LYS 3 CO 0.00 -1.05 0.04 0.71 -0.92 0.00 0.00 175.35 174.14 1bfy s TYR 4 N -3.34 -0.03 -0.09 3.18 1.51 -0.28 -0.29 117.35 118.01 1bfy s TYR 4 Ca 0.58 0.07 -0.07 0.00 -1.01 0.00 0.00 57.07 56.64 1bfy s TYR 4 Cb -0.11 0.00 -0.04 0.00 -0.11 0.00 0.00 41.96 41.70 1bfy s TYR 4 CO 0.51 -0.04 0.17 -0.08 -1.11 0.00 0.00 175.55 174.99 1bfy s THR 5 N -0.12 5.46 -0.07 -0.71 -1.32 0.11 -0.38 115.64 118.60 1bfy s THR 5 Ca -0.01 0.21 -0.06 0.00 -1.21 0.00 0.00 61.69 60.62 1bfy s THR 5 Cb -0.01 -3.45 -0.24 0.00 -1.51 0.00 0.00 72.50 67.29 1bfy s THR 5 CO 0.00 0.57 3.40 0.00 -2.21 0.00 0.00 174.62 176.38 1bfy n THR 7 N 2.59 0.00 0.01 0.00 -1.04 -1.26 -0.31 114.28 114.26 1bfy n THR 7 Ca 0.42 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.37 1bfy n THR 7 Cb 0.83 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 69.22 1bfy n THR 7 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1bfy h VAL 8 N 0.00 0.93 -3.17 12.58 2.07 -2.05 -3.47 116.25 123.13 1bfy h VAL 8 Ca 0.00 -2.66 -0.56 0.00 0.82 0.00 0.00 66.70 64.30 1bfy h VAL 8 Cb 0.00 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1bfy h VAL 8 CO 0.00 0.53 0.65 0.00 0.02 0.00 0.00 177.57 178.76 1bfy n GLY 10 N 3.23 3.28 1.75 0.00 0.00 -1.26 -4.09 105.19 108.10 1bfy n GLY 10 Ca 0.10 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1bfy n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bfy n TYR 11 N 6.34 -1.54 -0.84 1.61 4.19 -1.26 -5.13 117.16 120.53 1bfy n TYR 11 Ca 0.41 0.27 0.00 0.00 3.31 0.00 0.00 57.90 61.89 1bfy n TYR 11 Cb 0.43 0.43 0.00 0.00 0.49 0.00 0.00 39.34 40.69 1bfy n TYR 11 CO 0.00 0.00 0.00 -0.89 0.91 0.00 0.00 176.86 176.88 1bfy n ILE 12 N -3.30 -4.58 -2.92 2.97 5.41 -1.26 -5.02 119.36 110.65 1bfy n ILE 12 Ca 0.00 0.84 -0.40 0.00 1.00 0.00 0.00 62.75 64.19 1bfy n ILE 12 Cb 0.03 -2.73 -0.06 0.00 -0.71 0.00 0.00 39.64 36.17 1bfy n ILE 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1bfy s TYR 13 N -0.27 3.87 -0.17 1.39 5.04 0.49 -4.95 117.35 122.75 1bfy s TYR 13 Ca 0.00 1.66 -0.00 0.00 -2.44 0.00 0.00 57.07 56.28 1bfy s TYR 13 Cb 0.00 -2.84 0.04 0.00 0.35 0.00 0.00 41.96 39.51 1bfy s TYR 13 CO 0.00 0.42 -0.06 1.21 -1.34 0.00 0.00 175.55 175.78 1bfy s ASN 14 N -0.79 2.90 0.19 4.32 3.84 -1.26 -1.13 114.94 123.01 1bfy s ASN 14 Ca 0.38 -0.69 -0.08 0.00 0.21 0.00 0.00 52.86 52.68 1bfy s ASN 14 Cb -0.23 -0.96 0.10 0.00 -0.55 0.00 0.00 41.25 39.61 1bfy s ASN 14 CO 0.27 -0.18 1.65 1.55 -2.79 0.00 0.00 177.10 177.60 1bfy h PRO 15 N 8.10 1.03 -0.63 0.43 0.13 -1.80 0.40 132.00 139.65 1bfy h PRO 15 Ca -0.25 -0.33 0.13 0.00 -0.87 0.00 0.00 66.00 64.68 1bfy h PRO 15 Cb 1.11 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.11 1bfy h PRO 15 CO 0.41 1.02 0.43 0.93 -0.23 0.00 0.00 178.00 180.56 1bfy h GLU 16 N 0.94 0.28 0.00 0.86 5.08 -1.92 0.44 114.58 120.26 1bfy h GLU 16 Ca 0.16 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 1bfy h GLU 16 Cb 0.57 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1bfy h GLU 16 CO 0.03 0.18 -1.83 -0.25 -1.00 0.00 0.00 179.01 176.15 1bfy n ASP 17 N -4.45 0.43 0.00 1.42 9.92 -0.81 -3.69 116.55 119.38 1bfy n ASP 17 Ca 0.11 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1bfy n ASP 17 Cb 0.50 0.77 0.00 0.00 -0.64 0.00 0.00 41.12 41.75 1bfy n ASP 17 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bfy n GLY 18 N 1.48 0.72 2.27 0.44 0.00 0.13 -3.98 105.19 106.25 1bfy n GLY 18 Ca -0.16 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 1bfy n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bfy n ASP 19 N -2.63 0.24 0.05 1.61 8.00 0.80 -4.50 116.55 120.12 1bfy n ASP 19 Ca 0.00 -3.03 0.03 0.00 0.71 0.00 0.00 54.79 52.50 1bfy n ASP 19 Cb 0.00 -0.27 0.39 0.00 -0.02 0.00 0.00 41.12 41.22 1bfy n ASP 19 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1bfy h PRO 20 N 3.23 0.41 -0.31 -0.24 0.13 -1.11 0.87 132.00 134.98 1bfy h PRO 20 Ca 0.06 -0.06 0.09 0.00 -0.87 0.00 0.00 66.00 65.22 1bfy h PRO 20 Cb 0.97 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1bfy h PRO 20 CO 0.45 0.40 0.23 -0.44 -0.23 0.00 0.00 178.00 178.41 1bfy h ASP 21 N 0.41 0.00 0.04 1.44 5.19 -1.95 -2.17 116.42 119.38 1bfy h ASP 21 Ca 0.10 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.14 1bfy h ASP 21 Cb 0.19 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.63 1bfy h ASP 21 CO -0.00 0.00 -2.33 0.59 -3.12 0.00 0.00 179.24 174.37 1bfy n ASN 22 N -4.38 0.24 0.00 6.45 3.02 -0.27 -5.00 115.26 115.32 1bfy n ASN 22 Ca 0.04 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1bfy n ASN 22 Cb 0.40 0.79 0.00 0.00 -0.61 0.00 0.00 39.78 40.36 1bfy n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bfy n GLY 23 N 1.77 -0.99 3.36 7.41 0.00 0.12 -4.94 105.19 111.91 1bfy n GLY 23 Ca -0.33 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 1bfy n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bfy s VAL 24 N 0.00 4.24 0.71 1.61 1.01 -0.14 -4.88 120.40 122.96 1bfy s VAL 24 Ca 0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1bfy s VAL 24 Cb 0.00 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1bfy s VAL 24 CO 0.00 -0.08 1.19 0.20 0.00 0.00 0.00 175.10 176.41 1bfy s ASN 25 N 1.52 4.39 0.59 3.32 0.01 -1.26 -0.14 114.94 123.37 1bfy s ASN 25 Ca 0.02 2.29 -0.20 0.00 -0.71 0.00 0.00 52.86 54.26 1bfy s ASN 25 Cb -0.18 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 38.86 1bfy s ASN 25 CO 0.05 -2.12 1.28 -0.81 -1.51 0.00 0.00 177.10 173.99 1bfy n PRO 26 N -2.63 1.37 -1.04 -0.60 -0.04 -1.26 -2.74 135.00 128.06 1bfy n PRO 26 Ca 0.13 0.52 -0.01 0.00 -0.04 0.00 0.00 63.50 64.09 1bfy n PRO 26 Cb 0.51 -2.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.45 1bfy n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bfy n GLY 27 N 0.89 0.51 3.62 0.55 0.00 0.15 -4.86 105.19 106.04 1bfy n GLY 27 Ca 0.13 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1bfy n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bfy s THR 28 N -2.00 4.94 0.29 2.61 2.01 -1.11 -4.95 115.64 117.43 1bfy s THR 28 Ca 0.00 1.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.78 1bfy s THR 28 Cb 0.00 -3.99 -0.12 0.00 0.01 0.00 0.00 72.50 68.40 1bfy s THR 28 CO 0.00 -0.06 1.55 -0.67 -0.69 0.00 0.00 174.62 174.75 1bfy n ASP 29 N 5.84 3.62 -0.38 3.53 -0.08 -1.26 -4.54 116.55 123.28 1bfy n ASP 29 Ca 0.00 1.15 0.32 0.00 -1.51 0.00 0.00 54.79 54.75 1bfy n ASP 29 Cb 0.49 -1.56 0.62 0.00 2.34 0.00 0.00 41.12 43.01 1bfy n ASP 29 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1bfy h PHE 30 N 4.59 0.45 -0.59 -0.67 3.57 -1.86 0.29 116.94 122.71 1bfy h PHE 30 Ca -0.47 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 60.95 1bfy h PHE 30 Cb 1.24 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1bfy h PHE 30 CO 0.58 -0.04 -0.04 1.57 -2.23 0.00 0.00 178.31 178.14 1bfy h LYS 31 N 0.19 1.07 0.00 1.11 2.10 -1.93 -3.05 116.57 116.06 1bfy h LYS 31 Ca 0.68 -0.36 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1bfy h LYS 31 Cb 2.14 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.38 1bfy h LYS 31 CO -0.27 1.07 -0.04 -0.25 -2.00 0.00 0.00 179.45 177.96 1bfy n ASP 32 N -4.17 0.44 -4.70 7.07 8.00 0.92 -4.79 116.55 119.32 1bfy n ASP 32 Ca 0.02 0.50 -0.44 0.00 0.71 0.00 0.00 54.79 55.59 1bfy n ASP 32 Cb 0.37 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 1bfy n ASP 32 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1bfy n ILE 33 N -1.89 0.53 -1.87 0.53 5.41 -0.61 -4.92 119.36 116.55 1bfy n ILE 33 Ca 0.06 -0.13 -0.41 0.00 1.00 0.00 0.00 62.75 63.27 1bfy n ILE 33 Cb 0.39 -1.72 -0.01 0.00 -0.71 0.00 0.00 39.64 37.59 1bfy n ILE 33 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1bfy s PRO 34 N 0.22 4.16 0.47 0.38 0.05 -1.26 -4.89 135.00 134.13 1bfy s PRO 34 Ca 0.71 2.50 0.32 0.00 0.05 0.00 0.00 61.00 64.58 1bfy s PRO 34 Cb -0.59 -3.00 1.57 0.00 0.05 0.00 0.00 34.50 32.53 1bfy s PRO 34 CO 0.43 -0.48 1.97 -0.44 0.05 0.00 0.00 177.00 178.53 1bfy h ASP 35 N 3.47 0.00 1.15 6.66 5.19 -1.93 -0.30 116.42 130.66 1bfy h ASP 35 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1bfy h ASP 35 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1bfy h ASP 35 CO 0.67 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.89 1bfy n ASP 36 N -2.72 0.75 -4.77 6.45 5.68 -1.26 -4.61 116.55 116.07 1bfy n ASP 36 Ca -0.01 0.62 -0.35 0.00 -0.50 0.00 0.00 54.79 54.55 1bfy n ASP 36 Cb 0.15 -0.80 0.01 0.00 -1.14 0.00 0.00 41.12 39.34 1bfy n ASP 36 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1bfy s TRP 37 N -3.20 2.68 0.11 2.11 -0.00 -0.12 -5.01 118.94 115.52 1bfy s TRP 37 Ca 0.08 1.55 0.09 0.00 -0.00 0.00 0.00 56.10 57.81 1bfy s TRP 37 Cb 0.11 -3.26 -0.04 0.00 -0.00 0.00 0.00 33.47 30.28 1bfy s TRP 37 CO 0.51 -1.55 -0.21 0.08 -0.00 0.00 0.00 176.95 175.78 1bfy s VAL 38 N -1.86 1.79 0.30 5.86 1.01 -1.26 -3.25 120.40 123.00 1bfy s VAL 38 Ca 0.72 -1.62 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 1bfy s VAL 38 Cb -0.23 -1.65 -0.12 0.00 0.00 0.00 0.00 36.38 34.38 1bfy s VAL 38 CO 0.28 -0.08 1.48 0.00 0.00 0.00 0.00 175.10 176.79 1bfy n PRO 40 N 1.57 2.73 -1.56 0.00 -0.04 -1.26 -1.88 135.00 134.55 1bfy n PRO 40 Ca 0.07 0.99 -0.14 0.00 -0.04 0.00 0.00 63.50 64.39 1bfy n PRO 40 Cb 0.36 -2.90 -0.05 0.00 -0.04 0.00 0.00 33.50 30.87 1bfy n PRO 40 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bfy n LEU 41 N 6.15 -1.13 -4.12 1.53 7.99 -1.26 -4.96 117.00 121.21 1bfy n LEU 41 Ca 0.19 0.28 -0.15 0.00 -0.01 0.00 0.00 56.01 56.32 1bfy n LEU 41 Cb 0.37 -2.09 -0.05 0.00 -0.11 0.00 0.00 43.42 41.54 1bfy n LEU 41 CO 0.67 -0.63 0.09 0.00 -1.51 0.00 0.00 177.39 176.01 1bfy n GLY 43 N -0.55 1.33 1.35 0.00 0.00 -1.26 -4.35 105.19 101.71 1bfy n GLY 43 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1bfy n GLY 43 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bfy n VAL 44 N 2.68 0.00 0.00 1.61 3.14 -1.26 -5.06 118.33 119.44 1bfy n VAL 44 Ca 0.25 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.63 1bfy n VAL 44 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 1bfy n VAL 44 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bfy n GLY 45 N 0.86 3.71 0.26 7.55 0.00 -1.26 -4.95 105.19 111.36 1bfy n GLY 45 Ca 0.00 -1.39 0.17 0.00 0.00 0.00 0.00 46.02 44.80 1bfy n GLY 45 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1bfy h LYS 46 N 0.00 0.00 0.00 1.61 2.10 -1.80 -3.43 116.57 115.05 1bfy h LYS 46 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1bfy h LYS 46 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1bfy h LYS 46 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1bfy n ASP 47 N -2.88 0.00 -2.96 7.07 9.92 -1.26 -1.32 116.55 125.12 1bfy n ASP 47 Ca -0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.11 1bfy n ASP 47 Cb 0.21 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.70 1bfy n ASP 47 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1bfy n GLN 48 N 0.00 0.88 -1.09 -1.24 7.27 -1.26 -5.15 117.38 116.78 1bfy n GLN 48 Ca 0.00 -2.54 -0.36 0.00 0.07 0.00 0.00 57.00 54.17 1bfy n GLN 48 Cb 0.00 -1.35 0.06 0.00 2.41 0.00 0.00 30.24 31.36 1bfy n GLN 48 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1bfy n PHE 49 N 0.91 -2.73 -3.27 3.69 3.01 -0.43 -4.97 117.46 113.67 1bfy n PHE 49 Ca 0.15 0.23 -0.34 0.00 1.01 0.00 0.00 57.45 58.50 1bfy n PHE 49 Cb 0.63 -1.69 -0.06 0.00 -0.01 0.00 0.00 39.48 38.35 1bfy n PHE 49 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1bfy s GLU 50 N -2.34 3.97 0.31 -1.08 2.02 -0.87 -4.85 118.70 115.86 1bfy s GLU 50 Ca 0.54 0.53 -0.28 0.00 0.02 0.00 0.00 54.97 55.78 1bfy s GLU 50 Cb -0.30 -2.69 -0.09 0.00 0.10 0.00 0.00 34.13 31.14 1bfy s GLU 50 CO 0.69 0.32 1.09 -2.00 0.02 0.00 0.00 175.26 175.38 1bfy s GLU 51 N -2.52 4.52 -0.32 1.61 2.12 -1.26 0.04 118.70 122.89 1bfy s GLU 51 Ca 0.46 1.73 -0.09 0.00 0.36 0.00 0.00 54.97 57.44 1bfy s GLU 51 Cb -0.13 -3.03 0.01 0.00 0.26 0.00 0.00 34.13 31.25 1bfy s GLU 51 CO 0.20 0.12 0.13 0.08 -0.54 0.00 0.00 175.26 175.25 1bfy s VAL 52 N -1.28 4.30 -0.74 3.70 1.01 0.60 -4.73 120.40 123.26 1bfy s VAL 52 Ca 0.48 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 1bfy s VAL 52 Cb -0.30 -3.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 1bfy s VAL 52 CO 0.38 -0.01 2.46 -1.84 0.00 0.00 0.00 175.10 176.08 1bfy n GLU 53 N 4.93 2.15 0.00 2.72 0.28 -1.26 -3.41 120.64 126.05 1bfy n GLU 53 Ca -0.14 -1.33 0.13 0.00 -0.16 0.00 0.00 57.16 55.66 1bfy n GLU 53 Cb 0.48 -2.31 0.32 0.00 1.43 0.00 0.00 31.44 31.35 1bfy n GLU 53 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36