#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 -2.85 -1.63 3.17 5.02 -1.26 -4.88 118.16 115.73 1bfy n LYS 2 Ca 0.00 2.18 -0.29 0.00 -2.02 0.00 0.00 58.31 58.18 1bfy n LYS 2 Cb 0.00 -3.38 0.11 0.00 -0.02 0.00 0.00 35.03 31.74 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 -3.40 1.71 -0.12 1.97 1.02 -1.23 -4.44 119.74 115.25 1bfy s LYS 3 Ca 0.00 0.38 -0.09 0.00 0.02 0.00 0.00 55.97 56.28 1bfy s LYS 3 Cb 0.00 -1.90 0.04 0.00 -0.52 0.00 0.00 37.83 35.45 1bfy s LYS 3 CO 0.00 -1.82 0.30 0.71 -0.92 0.00 0.00 175.35 173.61 1bfy s TYR 4 N -3.30 -0.36 0.16 3.18 1.51 -0.40 -0.40 117.35 117.73 1bfy s TYR 4 Ca 0.62 0.86 -0.30 0.00 -1.01 0.00 0.00 57.07 57.24 1bfy s TYR 4 Cb -0.14 0.12 -0.07 0.00 -0.11 0.00 0.00 41.96 41.76 1bfy s TYR 4 CO 0.53 -0.20 1.11 0.99 -1.11 0.00 0.00 175.55 176.87 1bfy s THR 5 N 0.62 3.91 0.33 -0.71 2.01 0.81 -0.30 115.64 122.30 1bfy s THR 5 Ca -0.04 1.60 -0.29 0.00 0.31 0.00 0.00 61.69 63.27 1bfy s THR 5 Cb -0.05 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 1bfy s THR 5 CO -0.04 0.25 1.25 0.00 -0.69 0.00 0.00 174.62 175.39 1bfy n THR 7 N 0.82 0.00 -2.79 0.00 -2.24 -1.26 -3.46 114.28 105.35 1bfy n THR 7 Ca 0.00 0.26 -0.22 0.00 -2.27 0.00 0.00 64.05 61.82 1bfy n THR 7 Cb 0.43 -0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1bfy n THR 7 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1bfy n VAL 8 N -0.49 1.87 0.00 2.28 0.24 -1.26 -4.86 118.33 116.11 1bfy n VAL 8 Ca 0.00 -4.73 0.00 0.00 -2.04 0.00 0.00 64.34 57.57 1bfy n VAL 8 Cb 0.00 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 31.61 1bfy n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bfy n GLY 10 N 0.98 1.96 3.72 0.00 0.00 -1.25 -5.06 105.19 105.54 1bfy n GLY 10 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 2.52 -3.75 1.61 4.01 -1.26 -4.69 117.16 115.60 1bfy n TYR 11 Ca 0.00 0.51 -0.36 0.00 -0.16 0.00 0.00 57.90 57.89 1bfy n TYR 11 Cb 0.00 -2.46 -0.13 0.00 -0.31 0.00 0.00 39.34 36.45 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 -1.06 4.32 0.26 -0.72 1.01 -1.26 -0.58 121.20 123.17 1bfy s ILE 12 Ca 0.55 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.74 1bfy s ILE 12 Cb -0.54 -3.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.82 1bfy s ILE 12 CO 0.62 0.34 1.17 -0.47 0.00 0.00 0.00 174.94 176.60 1bfy s TYR 13 N 1.62 3.44 -0.22 3.97 6.14 0.58 -4.89 117.35 127.98 1bfy s TYR 13 Ca 0.06 1.56 0.01 0.00 0.64 0.00 0.00 57.07 59.34 1bfy s TYR 13 Cb -0.15 -3.40 0.05 0.00 0.42 0.00 0.00 41.96 38.88 1bfy s TYR 13 CO 0.04 -0.99 -0.08 1.21 0.64 0.00 0.00 175.55 176.36 1bfy s ASN 14 N -0.48 3.72 0.23 4.32 2.47 -1.26 -1.28 114.94 122.66 1bfy s ASN 14 Ca 0.48 -1.07 -0.06 0.00 0.42 0.00 0.00 52.86 52.63 1bfy s ASN 14 Cb -0.34 -1.25 0.23 0.00 -1.45 0.00 0.00 41.25 38.44 1bfy s ASN 14 CO 0.42 -0.19 1.80 1.55 -3.72 0.00 0.00 177.10 176.96 1bfy h PRO 15 N 7.94 1.11 -0.25 0.43 0.13 -1.80 0.28 132.00 139.84 1bfy h PRO 15 Ca -0.23 -0.20 0.03 0.00 -0.87 0.00 0.00 66.00 64.74 1bfy h PRO 15 Cb 1.08 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1bfy h PRO 15 CO 0.45 0.91 0.17 0.93 -0.23 0.00 0.00 178.00 180.22 1bfy h GLU 16 N 1.08 0.20 0.03 0.86 5.08 -1.92 0.48 114.58 120.39 1bfy h GLU 16 Ca 0.25 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.31 1bfy h GLU 16 Cb 0.22 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1bfy h GLU 16 CO -0.02 0.13 -1.61 -0.44 -1.00 0.00 0.00 179.01 176.07 1bfy h ASP 17 N 0.20 0.11 0.00 1.42 3.32 -1.71 -3.30 116.42 116.47 1bfy h ASP 17 Ca 0.11 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1bfy h ASP 17 Cb 0.17 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1bfy h ASP 17 CO -0.02 1.17 0.00 0.61 -1.72 0.00 0.00 179.24 179.28 1bfy n GLY 18 N 1.59 0.45 2.20 2.75 0.00 0.92 -3.87 105.19 109.23 1bfy n GLY 18 Ca -0.16 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.33 0.66 0.23 1.61 8.00 0.93 -4.58 116.55 121.07 1bfy n ASP 19 Ca 0.00 -2.98 0.06 0.00 0.71 0.00 0.00 54.79 52.58 1bfy n ASP 19 Cb 0.00 -0.56 0.54 0.00 -0.02 0.00 0.00 41.12 41.08 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 3.14 0.00 0.00 -0.24 0.13 -1.16 0.94 132.00 134.81 1bfy h PRO 20 Ca 0.09 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1bfy h PRO 20 Cb 0.96 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 1bfy h PRO 20 CO 0.49 0.14 -0.06 -0.44 -0.23 0.00 0.00 178.00 177.90 1bfy h ASP 21 N 0.00 0.00 0.20 1.44 5.19 -1.95 -2.37 116.42 118.93 1bfy h ASP 21 Ca -0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 1bfy h ASP 21 Cb 0.24 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 1bfy h ASP 21 CO 0.02 0.06 -2.07 0.59 -3.12 0.00 0.00 179.24 174.71 1bfy n ASN 22 N -4.41 0.30 0.00 6.45 3.02 -0.23 -4.99 115.26 115.40 1bfy n ASN 22 Ca -0.03 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1bfy n ASN 22 Cb 0.14 0.78 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 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 1.61 -0.07 3.27 7.41 0.00 0.13 -4.97 105.19 112.56 1bfy n GLY 23 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.55 3.71 0.74 1.61 1.01 -0.07 -4.89 120.40 121.96 1bfy s VAL 24 Ca 0.00 -1.07 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 1bfy s VAL 24 Cb 0.00 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.36 1bfy s VAL 24 CO 0.00 -0.11 1.17 0.20 0.00 0.00 0.00 175.10 176.36 1bfy s ASN 25 N 1.40 4.27 0.63 3.32 0.01 -1.26 -0.05 114.94 123.27 1bfy s ASN 25 Ca -0.01 2.22 -0.18 0.00 -0.71 0.00 0.00 52.86 54.18 1bfy s ASN 25 Cb -0.19 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.88 1bfy s ASN 25 CO 0.02 -2.20 1.28 -0.81 -1.51 0.00 0.00 177.10 173.88 1bfy n PRO 26 N -2.87 1.17 -1.10 -0.60 -0.04 -1.25 -2.65 135.00 127.65 1bfy n PRO 26 Ca 0.12 0.45 -0.04 0.00 -0.04 0.00 0.00 63.50 64.00 1bfy n PRO 26 Cb 0.51 -2.51 -0.02 0.00 -0.04 0.00 0.00 33.50 31.44 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 0.93 0.64 3.63 0.55 0.00 0.16 -4.86 105.19 106.24 1bfy n GLY 27 Ca 0.15 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 4.91 0.33 2.61 2.01 -1.08 -4.94 115.64 117.47 1bfy s THR 28 Ca 0.00 1.23 -0.29 0.00 0.31 0.00 0.00 61.69 62.94 1bfy s THR 28 Cb 0.00 -4.02 -0.11 0.00 0.01 0.00 0.00 72.50 68.38 1bfy s THR 28 CO 0.00 -0.06 1.52 -0.62 -0.69 0.00 0.00 174.62 174.77 1bfy s ASP 29 N 1.48 6.39 0.42 3.53 -1.08 -1.26 -4.56 116.67 121.60 1bfy s ASP 29 Ca 0.29 2.97 0.24 0.00 -0.52 0.00 0.00 52.55 55.54 1bfy s ASP 29 Cb -0.15 -2.65 1.26 0.00 -1.46 0.00 0.00 42.92 39.91 1bfy s ASP 29 CO 0.09 -0.87 1.72 0.15 0.52 0.00 0.00 175.17 176.78 1bfy h PHE 30 N 3.92 0.56 -0.45 -5.34 3.04 -1.90 0.29 116.94 117.06 1bfy h PHE 30 Ca -0.49 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.35 1bfy h PHE 30 Cb 1.23 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.57 1bfy h PHE 30 CO 0.56 -0.04 -0.23 1.57 -2.02 0.00 0.00 178.31 178.15 1bfy h LYS 31 N 0.25 0.93 0.00 1.11 2.10 -1.97 -3.00 116.57 116.00 1bfy h LYS 31 Ca 0.68 -0.40 -0.02 0.00 -2.00 0.00 0.00 60.65 58.91 1bfy h LYS 31 Cb 1.96 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 33.26 1bfy h LYS 31 CO -0.32 1.06 -0.08 -0.44 -2.00 0.00 0.00 179.45 177.67 1bfy h ASP 32 N 0.80 0.00 -2.44 7.07 3.32 -0.83 -3.44 116.42 120.90 1bfy h ASP 32 Ca 0.10 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.55 1bfy h ASP 32 Cb 0.79 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.42 1bfy h ASP 32 CO 0.07 0.08 0.56 -0.38 -1.72 0.00 0.00 179.24 177.84 1bfy n ILE 33 N -3.17 0.79 -2.08 0.35 5.41 -0.62 -4.91 119.36 115.14 1bfy n ILE 33 Ca 0.01 -0.20 -0.41 0.00 1.00 0.00 0.00 62.75 63.16 1bfy n ILE 33 Cb 0.41 -1.32 -0.02 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 -0.22 4.32 0.00 0.38 0.04 -1.26 -4.89 135.00 133.37 1bfy s PRO 34 Ca 0.71 2.26 0.12 0.00 0.04 0.00 0.00 61.00 64.13 1bfy s PRO 34 Cb -0.71 -3.06 0.51 0.00 0.04 0.00 0.00 34.50 31.28 1bfy s PRO 34 CO 0.49 -0.24 1.35 -0.25 0.04 0.00 0.00 177.00 178.39 1bfy n ASP 35 N 0.89 0.00 0.23 6.66 9.92 -1.26 -0.77 116.55 132.21 1bfy n ASP 35 Ca 0.01 0.43 0.11 0.00 -0.53 0.00 0.00 54.79 54.80 1bfy n ASP 35 Cb 0.41 -0.46 0.43 0.00 -0.64 0.00 0.00 41.12 40.86 1bfy n ASP 35 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1bfy h ASP 36 N 0.00 0.00 -4.15 -2.24 3.32 -1.97 -3.46 116.42 107.92 1bfy h ASP 36 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1bfy h ASP 36 Cb 0.18 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.82 1bfy h ASP 36 CO 0.00 0.18 0.40 0.86 -1.72 0.00 0.00 179.24 178.96 1bfy s TRP 37 N -3.53 2.64 0.09 4.55 -0.00 0.05 -5.06 118.94 117.67 1bfy s TRP 37 Ca 0.02 1.55 0.04 0.00 -0.00 0.00 0.00 56.10 57.71 1bfy s TRP 37 Cb 0.09 -3.22 -0.03 0.00 -0.00 0.00 0.00 33.47 30.30 1bfy s TRP 37 CO 0.63 -1.65 -0.12 0.08 -0.00 0.00 0.00 176.95 175.89 1bfy s VAL 38 N -2.09 1.03 0.33 5.86 1.01 -1.26 -4.63 120.40 120.64 1bfy s VAL 38 Ca 0.70 -1.47 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1bfy s VAL 38 Cb -0.22 -1.20 -0.10 0.00 0.00 0.00 0.00 36.38 34.86 1bfy s VAL 38 CO 0.35 -0.39 1.24 0.00 0.00 0.00 0.00 175.10 176.30 1bfy s PRO 40 N -1.76 4.02 -0.64 0.00 0.04 -1.26 -3.45 135.00 131.96 1bfy s PRO 40 Ca 0.49 2.34 -0.03 0.00 0.04 0.00 0.00 61.00 63.84 1bfy s PRO 40 Cb -0.37 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.06 1bfy s PRO 40 CO 0.48 -1.06 0.55 1.28 0.04 0.00 0.00 177.00 178.29 1bfy n LEU 41 N 7.90 -2.80 -3.96 -3.56 4.77 -1.26 -5.02 117.00 113.07 1bfy n LEU 41 Ca 0.20 -0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 55.79 1bfy n LEU 41 Cb 0.42 -1.76 -0.02 0.00 -2.33 0.00 0.00 43.42 39.73 1bfy n LEU 41 CO 0.66 0.28 0.30 0.00 -1.33 0.00 0.00 177.39 177.29 1bfy n GLY 43 N -0.51 -0.16 3.65 0.00 0.00 -1.26 -4.81 105.19 102.10 1bfy n GLY 43 Ca -0.03 -1.59 -0.50 0.00 0.00 0.00 0.00 46.02 43.90 1bfy n GLY 43 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1bfy n VAL 44 N 0.00 0.14 -4.36 1.61 0.24 -1.26 -4.12 118.33 110.59 1bfy n VAL 44 Ca 0.00 -0.03 -0.17 0.00 -2.04 0.00 0.00 64.34 62.11 1bfy n VAL 44 Cb 0.00 -1.32 -0.04 0.00 -1.47 0.00 0.00 33.84 31.01 1bfy n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bfy n GLY 45 N 3.40 3.69 2.93 7.63 0.00 -1.26 -4.89 105.19 116.70 1bfy n GLY 45 Ca 0.20 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 1bfy n GLY 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bfy n LYS 46 N -0.63 -2.19 0.00 1.61 4.81 -1.26 -4.75 118.16 115.75 1bfy n LYS 46 Ca -0.07 1.97 0.00 0.00 -0.87 0.00 0.00 58.31 59.34 1bfy n LYS 46 Cb 0.37 -5.44 0.00 0.00 0.02 0.00 0.00 35.03 29.98 1bfy n LYS 46 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1bfy n ASP 47 N -0.55 0.00 -3.29 3.14 2.03 -1.26 -4.99 116.55 111.63 1bfy n ASP 47 Ca 0.08 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.07 1bfy n ASP 47 Cb 0.48 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.86 1bfy n ASP 47 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1bfy n GLN 48 N 0.00 2.99 -2.58 -0.67 7.27 -1.26 -4.93 117.38 118.20 1bfy n GLN 48 Ca 0.00 -1.92 -0.36 0.00 0.07 0.00 0.00 57.00 54.78 1bfy n GLN 48 Cb 0.00 -2.69 -0.04 0.00 2.41 0.00 0.00 30.24 29.91 1bfy n GLN 48 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 1bfy s PHE 49 N 2.77 3.31 -0.02 3.69 -0.12 -1.26 -4.22 117.98 122.12 1bfy s PHE 49 Ca 0.57 1.65 0.04 0.00 -0.05 0.00 0.00 56.93 59.15 1bfy s PHE 49 Cb 0.15 -3.09 -0.03 0.00 -0.63 0.00 0.00 43.02 39.42 1bfy s PHE 49 CO -0.05 -0.52 -0.15 -1.21 -0.05 0.00 0.00 175.22 173.24 1bfy s GLU 50 N -2.50 2.41 0.22 1.99 2.02 -1.14 -4.97 118.70 116.74 1bfy s GLU 50 Ca 0.57 -0.76 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 1bfy s GLU 50 Cb -0.21 -2.34 -0.09 0.00 0.10 0.00 0.00 34.13 31.59 1bfy s GLU 50 CO 0.26 0.60 1.02 -2.00 0.02 0.00 0.00 175.26 175.16 1bfy s GLU 51 N -0.95 4.73 -0.45 1.61 2.12 -1.26 -0.13 118.70 124.36 1bfy s GLU 51 Ca 0.13 1.62 -0.12 0.00 0.36 0.00 0.00 54.97 56.95 1bfy s GLU 51 Cb -0.11 -3.26 0.08 0.00 0.26 0.00 0.00 34.13 31.10 1bfy s GLU 51 CO 0.02 0.31 0.33 0.08 -0.54 0.00 0.00 175.26 175.47 1bfy s VAL 52 N -0.86 4.68 -1.08 3.70 1.01 0.47 -4.81 120.40 123.51 1bfy s VAL 52 Ca 0.44 -1.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 1bfy s VAL 52 Cb -0.28 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 1bfy s VAL 52 CO 0.35 -0.57 2.80 -1.84 0.00 0.00 0.00 175.10 175.84 1bfy n GLU 53 N 5.05 2.84 0.00 2.72 0.28 -1.26 -3.57 120.64 126.70 1bfy n GLU 53 Ca -0.11 -1.70 0.09 0.00 -0.16 0.00 0.00 57.16 55.28 1bfy n GLU 53 Cb 0.43 -2.51 0.56 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