#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 -3.16 -2.03 3.17 5.02 -1.26 -4.84 118.16 115.06 1bfy n LYS 2 Ca 0.00 2.36 -0.28 0.00 -2.02 0.00 0.00 58.31 58.36 1bfy n LYS 2 Cb 0.00 -3.78 0.06 0.00 -0.02 0.00 0.00 35.03 31.30 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 2.40 -0.10 1.97 1.02 -1.16 -4.42 119.74 116.18 1bfy s LYS 3 Ca 0.00 0.11 -0.07 0.00 0.02 0.00 0.00 55.97 56.02 1bfy s LYS 3 Cb 0.00 -2.07 0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1bfy s LYS 3 CO 0.00 -1.23 0.25 0.71 -0.92 0.00 0.00 175.35 174.16 1bfy s TYR 4 N -3.36 -0.30 0.37 3.18 1.51 -0.17 -0.30 117.35 118.29 1bfy s TYR 4 Ca 0.59 0.73 -0.22 0.00 -1.01 0.00 0.00 57.07 57.16 1bfy s TYR 4 Cb -0.11 0.08 -0.10 0.00 -0.11 0.00 0.00 41.96 41.72 1bfy s TYR 4 CO 0.48 -0.17 0.91 0.99 -1.11 0.00 0.00 175.55 176.65 1bfy s THR 5 N 0.57 4.38 -1.54 -0.71 2.01 0.12 -0.22 115.64 120.25 1bfy s THR 5 Ca -0.04 1.52 0.00 0.00 0.31 0.00 0.00 61.69 63.49 1bfy s THR 5 Cb -0.05 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1bfy s THR 5 CO -0.03 -0.13 0.74 0.00 -0.69 0.00 0.00 174.62 174.51 1bfy n THR 7 N -0.26 0.00 0.19 0.00 -1.04 -1.26 -4.02 114.28 107.88 1bfy n THR 7 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1bfy n THR 7 Cb 0.11 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.58 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 0.00 -1.90 12.58 2.07 -1.92 -3.45 116.25 123.63 1bfy h VAL 8 Ca 0.00 -0.43 -0.45 0.00 0.82 0.00 0.00 66.70 66.64 1bfy h VAL 8 Cb 0.00 0.00 0.05 0.00 -1.52 0.00 0.00 31.29 29.82 1bfy h VAL 8 CO 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.54 1bfy n GLY 10 N -2.36 -0.82 3.33 0.00 0.00 -1.26 -3.42 105.19 100.66 1bfy n GLY 10 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 1bfy n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bfy n TYR 11 N -1.51 -0.18 -1.75 1.61 4.01 -1.26 -1.26 117.16 116.83 1bfy n TYR 11 Ca 0.00 0.04 -0.43 0.00 -0.16 0.00 0.00 57.90 57.35 1bfy n TYR 11 Cb 0.00 -0.30 -0.03 0.00 -0.31 0.00 0.00 39.34 38.70 1bfy n TYR 11 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bfy s ILE 12 N -3.78 3.17 0.10 -0.72 1.01 -1.26 -4.30 121.20 115.42 1bfy s ILE 12 Ca 0.03 0.19 -0.31 0.00 0.00 0.00 0.00 60.65 60.57 1bfy s ILE 12 Cb -0.02 -3.17 -0.08 0.00 0.01 0.00 0.00 42.46 39.20 1bfy s ILE 12 CO 0.10 -0.07 1.42 -0.47 0.00 0.00 0.00 174.94 175.93 1bfy s TYR 13 N 6.11 3.12 -0.27 3.97 6.14 0.70 -4.86 117.35 132.25 1bfy s TYR 13 Ca 0.89 0.86 0.00 0.00 0.64 0.00 0.00 57.07 59.47 1bfy s TYR 13 Cb -0.35 -3.72 0.05 0.00 0.42 0.00 0.00 41.96 38.36 1bfy s TYR 13 CO 0.36 -2.58 -0.07 1.21 0.64 0.00 0.00 175.55 175.11 1bfy s ASN 14 N 1.30 4.52 0.26 4.32 2.47 -1.26 -1.00 114.94 125.55 1bfy s ASN 14 Ca 0.66 -1.24 -0.04 0.00 0.42 0.00 0.00 52.86 52.66 1bfy s ASN 14 Cb -0.37 -1.62 0.31 0.00 -1.45 0.00 0.00 41.25 38.12 1bfy s ASN 14 CO 0.30 -0.20 1.82 1.55 -3.72 0.00 0.00 177.10 176.86 1bfy h PRO 15 N 7.90 1.01 -0.42 0.43 0.13 -1.80 0.24 132.00 139.48 1bfy h PRO 15 Ca -0.23 -0.18 0.06 0.00 -0.87 0.00 0.00 66.00 64.78 1bfy h PRO 15 Cb 1.06 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 1bfy h PRO 15 CO 0.51 0.83 0.28 0.93 -0.23 0.00 0.00 178.00 180.33 1bfy h GLU 16 N 0.98 0.31 0.03 0.86 5.08 -1.93 0.54 114.58 120.46 1bfy h GLU 16 Ca 0.23 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.27 1bfy h GLU 16 Cb 0.22 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1bfy h GLU 16 CO -0.02 0.21 -1.64 -0.44 -1.00 0.00 0.00 179.01 176.12 1bfy h ASP 17 N 0.32 0.11 0.00 1.42 3.32 -1.73 -3.30 116.42 116.56 1bfy h ASP 17 Ca 0.18 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1bfy h ASP 17 Cb 0.32 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1bfy h ASP 17 CO -0.04 1.18 0.00 0.61 -1.72 0.00 0.00 179.24 179.27 1bfy n GLY 18 N 1.60 0.42 2.21 2.75 0.00 0.77 -3.84 105.19 109.09 1bfy n GLY 18 Ca -0.17 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.31 0.67 0.10 1.61 8.00 0.91 -4.63 116.55 120.90 1bfy n ASP 19 Ca 0.00 -3.00 0.03 0.00 0.71 0.00 0.00 54.79 52.54 1bfy n ASP 19 Cb 0.00 -0.55 0.42 0.00 -0.02 0.00 0.00 41.12 40.98 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 3.11 0.29 -0.10 -0.24 0.13 -1.16 0.10 132.00 134.13 1bfy h PRO 20 Ca 0.09 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.18 1bfy h PRO 20 Cb 0.96 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1bfy h PRO 20 CO 0.49 0.33 0.07 -0.44 -0.23 0.00 0.00 178.00 178.22 1bfy h ASP 21 N 0.29 0.08 0.32 1.44 5.19 -1.95 -2.09 116.42 119.71 1bfy h ASP 21 Ca 0.07 -0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.20 1bfy h ASP 21 Cb 0.22 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.66 1bfy h ASP 21 CO 0.01 0.06 -1.91 0.59 -3.12 0.00 0.00 179.24 174.86 1bfy n ASN 22 N -4.52 0.50 0.00 6.45 3.02 -0.23 -4.98 115.26 115.49 1bfy n ASN 22 Ca -0.01 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1bfy n ASN 22 Cb 0.11 0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 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 1.58 -0.02 3.23 7.41 0.00 0.17 -5.02 105.19 112.53 1bfy n GLY 23 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.53 3.33 0.74 1.61 1.01 -0.09 -4.89 120.40 121.57 1bfy s VAL 24 Ca 0.00 -1.15 -0.14 0.00 0.00 0.00 0.00 61.98 60.69 1bfy s VAL 24 Cb 0.00 -2.84 0.04 0.00 0.00 0.00 0.00 36.38 33.59 1bfy s VAL 24 CO 0.00 -0.04 1.17 0.20 0.00 0.00 0.00 175.10 176.43 1bfy s ASN 25 N 1.34 4.28 0.63 3.32 0.01 -1.26 -0.06 114.94 123.19 1bfy s ASN 25 Ca -0.02 2.24 -0.19 0.00 -0.71 0.00 0.00 52.86 54.18 1bfy s ASN 25 Cb -0.19 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 38.88 1bfy s ASN 25 CO -0.00 -2.20 1.25 -0.81 -1.51 0.00 0.00 177.10 173.83 1bfy n PRO 26 N -2.84 1.15 -1.37 -0.60 -0.04 -1.25 -2.37 135.00 127.69 1bfy n PRO 26 Ca 0.12 0.45 -0.12 0.00 -0.04 0.00 0.00 63.50 63.91 1bfy n PRO 26 Cb 0.51 -2.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.43 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 0.96 1.24 3.64 0.55 0.00 0.17 -4.86 105.19 106.89 1bfy n GLY 27 Ca 0.15 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.44 4.95 0.28 2.61 2.01 -1.00 -4.96 115.64 117.09 1bfy s THR 28 Ca 0.00 1.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.98 1bfy s THR 28 Cb 0.00 -4.00 -0.12 0.00 0.01 0.00 0.00 72.50 68.40 1bfy s THR 28 CO 0.00 0.01 1.63 -0.67 -0.69 0.00 0.00 174.62 174.90 1bfy n ASP 29 N 5.65 3.90 -0.37 3.53 -0.08 -1.26 -4.56 116.55 123.37 1bfy n ASP 29 Ca 0.01 1.13 0.32 0.00 -1.51 0.00 0.00 54.79 54.74 1bfy n ASP 29 Cb 0.49 -1.59 0.58 0.00 2.34 0.00 0.00 41.12 42.94 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 5.20 0.73 -0.45 -0.67 3.04 -1.88 0.28 116.94 123.19 1bfy h PHE 30 Ca -0.46 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.42 1bfy h PHE 30 Cb 1.22 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.53 1bfy h PHE 30 CO 0.59 -0.28 -0.10 1.57 -2.02 0.00 0.00 178.31 178.07 1bfy h LYS 31 N 0.13 0.86 0.00 1.11 2.10 -1.95 -3.01 116.57 115.80 1bfy h LYS 31 Ca 0.81 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1bfy h LYS 31 Cb 2.22 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 33.50 1bfy h LYS 31 CO -0.58 0.96 0.00 -0.44 -2.00 0.00 0.00 179.45 177.39 1bfy h ASP 32 N 0.70 0.00 -2.29 7.07 3.32 -0.86 -3.44 116.42 120.92 1bfy h ASP 32 Ca 0.12 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.55 1bfy h ASP 32 Cb 0.64 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.26 1bfy h ASP 32 CO 0.04 0.00 0.55 -0.38 -1.72 0.00 0.00 179.24 177.73 1bfy n ILE 33 N -2.98 0.62 -2.03 0.35 5.41 -0.48 -4.91 119.36 115.35 1bfy n ILE 33 Ca 0.01 -0.16 -0.40 0.00 1.00 0.00 0.00 62.75 63.21 1bfy n ILE 33 Cb 0.33 -1.25 -0.01 0.00 -0.71 0.00 0.00 39.64 38.00 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 -0.02 4.09 0.37 0.38 0.04 -1.26 -4.89 135.00 133.71 1bfy s PRO 34 Ca 0.74 2.24 0.26 0.00 0.04 0.00 0.00 61.00 64.28 1bfy s PRO 34 Cb -0.74 -2.88 1.30 0.00 0.04 0.00 0.00 34.50 32.22 1bfy s PRO 34 CO 0.47 -0.42 1.80 -0.44 0.04 0.00 0.00 177.00 178.46 1bfy h ASP 35 N 2.92 0.00 0.59 6.66 5.19 -1.92 0.38 116.42 130.23 1bfy h ASP 35 Ca -0.50 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.89 1bfy h ASP 35 Cb 1.24 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.75 1bfy h ASP 35 CO 0.64 0.00 -0.10 0.44 -3.12 0.00 0.00 179.24 177.10 1bfy h ASP 36 N 0.00 0.00 -4.04 6.45 3.32 -1.97 -3.43 116.42 116.75 1bfy h ASP 36 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 1bfy h ASP 36 Cb 0.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1bfy h ASP 36 CO 0.00 0.10 0.36 0.86 -1.72 0.00 0.00 179.24 178.83 1bfy s TRP 37 N -3.95 3.26 0.16 4.55 -0.00 0.12 -5.02 118.94 118.06 1bfy s TRP 37 Ca -0.01 1.62 0.07 0.00 -0.00 0.00 0.00 56.10 57.78 1bfy s TRP 37 Cb 0.11 -2.93 -0.04 0.00 -0.00 0.00 0.00 33.47 30.61 1bfy s TRP 37 CO 0.56 -0.30 -0.16 0.14 -0.00 0.00 0.00 176.95 177.19 1bfy s VAL 38 N -2.04 1.62 0.30 5.86 -7.23 -1.26 -2.99 120.40 114.67 1bfy s VAL 38 Ca 0.62 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.57 1bfy s VAL 38 Cb -0.13 -1.79 -0.11 0.00 0.56 0.00 0.00 36.38 34.91 1bfy s VAL 38 CO 0.17 -0.43 1.46 0.00 -0.31 0.00 0.00 175.10 176.00 1bfy s PRO 40 N -1.06 2.58 0.00 0.00 0.04 -1.26 -3.50 135.00 131.80 1bfy s PRO 40 Ca 0.57 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1bfy s PRO 40 Cb -0.44 -4.67 0.00 0.00 0.04 0.00 0.00 34.50 29.43 1bfy s PRO 40 CO 0.51 -3.02 0.00 1.28 0.04 0.00 0.00 177.00 175.81 1bfy n LEU 41 N 13.34 -1.46 0.00 -3.56 4.77 -1.26 -5.00 117.00 123.83 1bfy n LEU 41 Ca 0.29 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1bfy n LEU 41 Cb 0.50 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1bfy n LEU 41 CO 0.66 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.72 1bfy n GLY 43 N 0.00 2.27 3.77 0.00 0.00 -1.26 -5.08 105.19 104.90 1bfy n GLY 43 Ca 0.00 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1bfy n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bfy s VAL 44 N 0.00 3.22 1.05 1.61 1.01 -1.26 -4.86 120.40 121.17 1bfy s VAL 44 Ca 0.00 0.85 -0.17 0.00 0.00 0.00 0.00 61.98 62.65 1bfy s VAL 44 Cb 0.00 -3.39 0.23 0.00 0.00 0.00 0.00 36.38 33.22 1bfy s VAL 44 CO 0.00 -0.08 1.24 -0.83 0.00 0.00 0.00 175.10 175.42 1bfy s GLY 45 N -1.58 1.70 -0.39 4.51 0.00 -1.26 -2.78 107.32 107.53 1bfy s GLY 45 Ca 0.67 -1.09 -0.28 0.00 0.00 0.00 0.00 44.72 44.03 1bfy s GLY 45 CO 0.30 -0.28 2.00 -1.59 0.00 0.00 0.00 173.10 173.53 1bfy s LYS 46 N -5.69 2.96 0.12 2.90 -2.85 -1.16 -4.57 119.74 111.44 1bfy s LYS 46 Ca 0.72 1.40 0.00 0.00 -1.00 0.00 0.00 55.97 57.09 1bfy s LYS 46 Cb -0.06 -4.33 0.00 0.00 -2.06 0.00 0.00 37.83 31.37 1bfy s LYS 46 CO 0.54 -2.31 0.00 -0.25 0.10 0.00 0.00 175.35 173.43 1bfy n ASP 47 N 11.97 -0.05 -4.39 0.03 8.00 -1.26 -4.99 116.55 125.86 1bfy n ASP 47 Ca 0.26 0.20 -0.43 0.00 0.71 0.00 0.00 54.79 55.53 1bfy n ASP 47 Cb 0.49 0.16 -0.09 0.00 -0.02 0.00 0.00 41.12 41.66 1bfy n ASP 47 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1bfy s GLN 48 N -1.42 2.92 -0.05 -1.24 2.00 -1.26 -5.04 119.66 115.56 1bfy s GLN 48 Ca 0.00 -1.28 -0.02 0.00 -2.00 0.00 0.00 55.36 52.06 1bfy s GLN 48 Cb 0.00 -4.03 0.04 0.00 0.80 0.00 0.00 33.01 29.82 1bfy s GLN 48 CO 0.00 -0.94 0.11 -0.59 -0.50 0.00 0.00 175.29 173.37 1bfy s PHE 49 N 1.62 -0.10 -0.07 1.67 -0.12 -1.26 -4.08 117.98 115.64 1bfy s PHE 49 Ca 0.04 0.38 -0.03 0.00 -0.05 0.00 0.00 56.93 57.27 1bfy s PHE 49 Cb -0.23 -0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 1bfy s PHE 49 CO 0.07 -0.15 0.07 -1.21 -0.05 0.00 0.00 175.22 173.94 1bfy s GLU 50 N 1.29 3.13 0.33 1.99 2.02 -0.72 -4.92 118.70 121.82 1bfy s GLU 50 Ca -0.07 -0.36 -0.27 0.00 0.02 0.00 0.00 54.97 54.28 1bfy s GLU 50 Cb -0.12 -2.92 -0.09 0.00 0.10 0.00 0.00 34.13 31.10 1bfy s GLU 50 CO -0.05 0.70 1.06 -2.00 0.02 0.00 0.00 175.26 174.99 1bfy s GLU 51 N -1.22 4.46 -0.35 1.61 2.12 -1.26 0.13 118.70 124.19 1bfy s GLU 51 Ca 0.17 1.63 -0.04 0.00 0.36 0.00 0.00 54.97 57.09 1bfy s GLU 51 Cb -0.12 -2.91 0.07 0.00 0.26 0.00 0.00 34.13 31.43 1bfy s GLU 51 CO 0.07 0.10 0.11 0.08 -0.54 0.00 0.00 175.26 175.07 1bfy s VAL 52 N -1.39 3.36 -0.65 3.70 1.01 0.59 -4.76 120.40 122.26 1bfy s VAL 52 Ca 0.50 -1.53 -0.07 0.00 0.00 0.00 0.00 61.98 60.88 1bfy s VAL 52 Cb -0.27 -3.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.94 1bfy s VAL 52 CO 0.34 -0.33 3.17 -1.84 0.00 0.00 0.00 175.10 176.44 1bfy n GLU 53 N 4.68 2.80 0.00 2.72 0.28 -1.26 -2.99 120.64 126.87 1bfy n GLU 53 Ca -0.09 -1.82 0.00 0.00 -0.16 0.00 0.00 57.16 55.09 1bfy n GLU 53 Cb 0.43 -2.31 0.00 0.00 1.43 0.00 0.00 31.44 30.99 1bfy n GLU 53 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12