#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 -2.29 -1.29 3.17 5.02 -1.26 -4.87 118.16 116.64 1bfy n LYS 2 Ca 0.00 1.81 -0.30 0.00 -2.02 0.00 0.00 58.31 57.80 1bfy n LYS 2 Cb 0.00 -2.70 0.11 0.00 -0.02 0.00 0.00 35.03 32.42 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 -3.48 1.87 -0.07 1.97 1.02 -1.24 -4.45 119.74 115.35 1bfy s LYS 3 Ca 0.00 0.95 -0.06 0.00 0.02 0.00 0.00 55.97 56.89 1bfy s LYS 3 Cb 0.00 -1.87 0.02 0.00 -0.52 0.00 0.00 37.83 35.47 1bfy s LYS 3 CO 0.00 -1.85 0.18 0.71 -0.92 0.00 0.00 175.35 173.47 1bfy s TYR 4 N -2.95 -0.21 0.59 3.18 1.51 -0.68 -0.32 117.35 118.46 1bfy s TYR 4 Ca 0.62 0.52 -0.15 0.00 -1.01 0.00 0.00 57.07 57.05 1bfy s TYR 4 Cb -0.17 0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.68 1bfy s TYR 4 CO 0.56 -0.12 1.04 0.99 -1.11 0.00 0.00 175.55 176.91 1bfy s THR 5 N 0.41 4.05 -0.21 -0.71 2.01 0.12 -0.24 115.64 121.07 1bfy s THR 5 Ca -0.03 0.91 0.04 0.00 0.31 0.00 0.00 61.69 62.93 1bfy s THR 5 Cb -0.04 -3.48 -0.21 0.00 0.01 0.00 0.00 72.50 68.78 1bfy s THR 5 CO -0.02 -0.62 -0.00 0.00 -0.69 0.00 0.00 174.62 173.29 1bfy n THR 7 N -3.19 0.00 -0.64 0.00 -1.04 -1.26 -4.50 114.28 103.64 1bfy n THR 7 Ca -0.39 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.58 1bfy n THR 7 Cb 1.04 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.49 1bfy n THR 7 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1bfy n VAL 8 N 0.00 2.23 0.00 12.58 0.24 -1.26 -4.23 118.33 127.88 1bfy n VAL 8 Ca 0.00 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 1bfy n VAL 8 Cb 0.00 -1.66 0.00 0.00 -1.47 0.00 0.00 33.84 30.71 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 0.00 0.44 0.78 0.00 0.00 -1.26 -5.07 105.19 100.08 1bfy n GLY 10 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 0.00 -0.97 1.61 9.36 -1.26 -5.02 117.16 120.87 1bfy n TYR 11 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1bfy n TYR 11 Cb 0.00 -0.17 0.00 0.00 -0.63 0.00 0.00 39.34 38.54 1bfy n TYR 11 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1bfy n ILE 12 N -3.66 -2.09 -2.48 2.97 5.41 -1.26 -4.98 119.36 113.27 1bfy n ILE 12 Ca -0.07 0.03 -0.39 0.00 1.00 0.00 0.00 62.75 63.32 1bfy n ILE 12 Cb 0.26 -2.95 -0.04 0.00 -0.71 0.00 0.00 39.64 36.19 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 -0.00 3.47 -0.17 1.39 6.14 0.67 -4.92 117.35 123.94 1bfy s TYR 13 Ca 0.00 1.68 0.00 0.00 0.64 0.00 0.00 57.07 59.39 1bfy s TYR 13 Cb 0.00 -3.26 0.04 0.00 0.42 0.00 0.00 41.96 39.16 1bfy s TYR 13 CO 0.00 -0.62 -0.09 1.21 0.64 0.00 0.00 175.55 176.69 1bfy s ASN 14 N -1.05 2.92 0.14 4.32 3.84 -1.26 -1.69 114.94 122.15 1bfy s ASN 14 Ca 0.48 -0.66 -0.12 0.00 0.21 0.00 0.00 52.86 52.77 1bfy s ASN 14 Cb -0.30 -1.07 -0.02 0.00 -0.55 0.00 0.00 41.25 39.31 1bfy s ASN 14 CO 0.38 -0.14 1.52 1.55 -2.79 0.00 0.00 177.10 177.62 1bfy h PRO 15 N 8.06 0.86 -0.09 0.43 0.13 -1.79 0.37 132.00 139.98 1bfy h PRO 15 Ca -0.29 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1bfy h PRO 15 Cb 1.11 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1bfy h PRO 15 CO 0.45 1.01 0.06 0.93 -0.23 0.00 0.00 178.00 180.22 1bfy h GLU 16 N 0.68 0.12 0.05 0.86 5.08 -1.93 0.50 114.58 119.94 1bfy h GLU 16 Ca 0.09 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.16 1bfy h GLU 16 Cb 0.75 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1bfy h GLU 16 CO 0.06 0.08 -1.56 -0.44 -1.00 0.00 0.00 179.01 176.15 1bfy h ASP 17 N 0.12 0.16 0.00 1.42 3.32 -1.88 -3.31 116.42 116.24 1bfy h ASP 17 Ca 0.03 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1bfy h ASP 17 Cb -0.01 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1bfy h ASP 17 CO -0.01 1.22 0.00 0.61 -1.72 0.00 0.00 179.24 179.34 1bfy n GLY 18 N 1.59 0.36 2.27 2.75 0.00 0.13 -3.76 105.19 108.53 1bfy n GLY 18 Ca -0.15 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.26 1.16 -0.23 1.61 8.00 0.77 -4.53 116.55 121.07 1bfy n ASP 19 Ca 0.00 -3.04 -0.02 0.00 0.71 0.00 0.00 54.79 52.44 1bfy n ASP 19 Cb 0.00 -0.62 0.17 0.00 -0.02 0.00 0.00 41.12 40.66 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 3.18 1.04 -0.90 -0.24 0.13 -1.20 -0.03 132.00 133.98 1bfy h PRO 20 Ca 0.10 -0.13 0.26 0.00 -0.87 0.00 0.00 66.00 65.36 1bfy h PRO 20 Cb 0.90 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.79 1bfy h PRO 20 CO 0.53 0.78 0.65 -0.44 -0.23 0.00 0.00 178.00 179.29 1bfy h ASP 21 N 1.04 0.03 0.00 1.44 5.19 -1.95 0.28 116.42 122.45 1bfy h ASP 21 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1bfy h ASP 21 Cb 0.06 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1bfy h ASP 21 CO -0.04 0.01 -1.74 0.59 -3.12 0.00 0.00 179.24 174.94 1bfy n ASN 22 N -4.28 0.47 0.00 6.45 3.02 -0.17 -4.98 115.26 115.77 1bfy n ASN 22 Ca 0.19 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1bfy n ASN 22 Cb 0.95 1.75 0.00 0.00 -0.61 0.00 0.00 39.78 41.87 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 1.37 0.48 3.44 7.41 0.00 0.09 -4.98 105.19 112.99 1bfy n GLY 23 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.94 5.22 0.73 1.61 1.01 -0.36 -4.87 120.40 122.79 1bfy s VAL 24 Ca 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 1bfy s VAL 24 Cb 0.00 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.45 1bfy s VAL 24 CO 0.00 -0.38 1.17 0.20 0.00 0.00 0.00 175.10 176.09 1bfy s ASN 25 N 1.92 4.36 0.57 3.32 0.01 -1.26 -0.16 114.94 123.70 1bfy s ASN 25 Ca 0.05 2.21 -0.20 0.00 -0.71 0.00 0.00 52.86 54.21 1bfy s ASN 25 Cb -0.20 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 38.84 1bfy s ASN 25 CO 0.09 -2.14 1.21 -0.81 -1.51 0.00 0.00 177.10 173.94 1bfy n PRO 26 N -2.80 1.34 -1.41 -0.60 -0.04 -1.25 -2.48 135.00 127.76 1bfy n PRO 26 Ca 0.12 0.50 -0.09 0.00 -0.04 0.00 0.00 63.50 64.00 1bfy n PRO 26 Cb 0.51 -2.41 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 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 0.97 0.89 3.64 0.55 0.00 0.16 -4.85 105.19 106.54 1bfy n GLY 27 Ca 0.12 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.35 5.08 0.31 2.61 2.01 -1.04 -4.96 115.64 117.30 1bfy s THR 28 Ca 0.00 0.94 -0.29 0.00 0.31 0.00 0.00 61.69 62.65 1bfy s THR 28 Cb 0.00 -3.85 -0.11 0.00 0.01 0.00 0.00 72.50 68.56 1bfy s THR 28 CO 0.00 0.12 1.43 -0.62 -0.69 0.00 0.00 174.62 174.86 1bfy s ASP 29 N 1.36 6.57 0.39 3.53 -1.08 -1.26 -4.52 116.67 121.65 1bfy s ASP 29 Ca 0.23 2.82 0.22 0.00 -0.52 0.00 0.00 52.55 55.29 1bfy s ASP 29 Cb -0.15 -2.64 1.27 0.00 -1.46 0.00 0.00 42.92 39.93 1bfy s ASP 29 CO 0.09 -0.73 1.64 0.15 0.52 0.00 0.00 175.17 176.84 1bfy h PHE 30 N 3.96 0.75 -0.53 -5.34 3.04 -1.89 0.38 116.94 117.31 1bfy h PHE 30 Ca -0.48 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.38 1bfy h PHE 30 Cb 1.23 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.53 1bfy h PHE 30 CO 0.57 -0.24 -0.12 1.57 -2.02 0.00 0.00 178.31 178.06 1bfy h LYS 31 N 0.17 1.02 0.00 1.11 2.10 -1.96 -3.07 116.57 115.93 1bfy h LYS 31 Ca 0.78 -0.38 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1bfy h LYS 31 Cb 2.12 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 33.38 1bfy h LYS 31 CO -0.56 1.07 -0.15 -0.25 -2.00 0.00 0.00 179.45 177.56 1bfy n ASP 32 N -4.14 0.33 -4.66 7.07 8.00 0.12 -4.81 116.55 118.44 1bfy n ASP 32 Ca 0.01 0.35 -0.45 0.00 0.71 0.00 0.00 54.79 55.41 1bfy n ASP 32 Cb 0.41 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 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 -1.72 0.63 -1.66 0.53 5.41 -0.22 -4.90 119.36 117.44 1bfy n ILE 33 Ca 0.06 -0.16 -0.45 0.00 1.00 0.00 0.00 62.75 63.20 1bfy n ILE 33 Cb 0.37 -1.45 -0.03 0.00 -0.71 0.00 0.00 39.64 37.82 1bfy n ILE 33 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1bfy n PRO 34 N 2.45 1.91 0.03 0.38 -0.02 -1.26 -4.87 135.00 133.62 1bfy n PRO 34 Ca 0.13 0.68 0.11 0.00 -2.02 0.00 0.00 63.50 62.41 1bfy n PRO 34 Cb 0.30 -2.32 0.47 0.00 -0.02 0.00 0.00 33.50 31.93 1bfy n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bfy n ASP 35 N 2.18 0.19 0.00 2.55 9.92 -1.26 -0.79 116.55 129.34 1bfy n ASP 35 Ca 0.12 0.53 0.13 0.00 -0.53 0.00 0.00 54.79 55.04 1bfy n ASP 35 Cb 0.30 -0.58 0.56 0.00 -0.64 0.00 0.00 41.12 40.76 1bfy n ASP 35 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1bfy n ASP 36 N -1.69 0.02 -4.74 -2.24 5.75 -1.26 -4.71 116.55 107.67 1bfy n ASP 36 Ca 0.05 0.50 -0.32 0.00 -0.01 0.00 0.00 54.79 55.01 1bfy n ASP 36 Cb 0.28 -0.51 0.10 0.00 -1.03 0.00 0.00 41.12 39.96 1bfy n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1bfy s TRP 37 N -3.00 2.33 0.07 2.11 -0.00 0.03 -5.07 118.94 115.41 1bfy s TRP 37 Ca 0.13 1.61 0.02 0.00 -0.00 0.00 0.00 56.10 57.85 1bfy s TRP 37 Cb 0.17 -3.19 -0.03 0.00 -0.00 0.00 0.00 33.47 30.42 1bfy s TRP 37 CO 0.48 -2.08 -0.07 0.54 -0.00 0.00 0.00 176.95 175.82 1bfy s VAL 38 N -2.61 0.55 0.28 5.86 0.11 -1.26 -4.34 120.40 118.99 1bfy s VAL 38 Ca 0.65 -1.49 -0.30 0.00 -2.93 0.00 0.00 61.98 57.91 1bfy s VAL 38 Cb -0.21 -1.12 -0.13 0.00 -1.53 0.00 0.00 36.38 33.40 1bfy s VAL 38 CO 0.52 -0.65 1.44 0.00 -3.33 0.00 0.00 175.10 173.07 1bfy h PRO 40 N 4.01 0.00 -0.53 0.00 0.13 -1.97 -3.28 132.00 130.36 1bfy h PRO 40 Ca -0.46 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.38 1bfy h PRO 40 Cb 1.26 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.13 1bfy h PRO 40 CO 0.74 0.00 -0.75 -0.11 -0.23 0.00 0.00 178.00 177.65 1bfy n LEU 41 N -4.35 -0.45 0.09 1.56 7.94 -1.26 -4.97 117.00 115.56 1bfy n LEU 41 Ca 0.00 -3.68 0.00 0.00 -1.11 0.00 0.00 56.01 51.22 1bfy n LEU 41 Cb 0.22 0.30 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1bfy n LEU 41 CO 0.33 1.81 0.00 0.00 -1.11 0.00 0.00 177.39 178.42 1bfy n GLY 43 N 1.07 0.37 5.09 0.00 0.00 -1.26 -5.02 105.19 105.45 1bfy n GLY 43 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1bfy n GLY 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bfy n VAL 44 N 0.00 0.00 0.00 1.61 0.31 -1.26 -2.96 118.33 116.03 1bfy n VAL 44 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1bfy n VAL 44 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1bfy n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bfy n GLY 45 N 0.00 -0.18 3.08 2.92 0.00 -1.26 -4.95 105.19 104.81 1bfy n GLY 45 Ca 0.00 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1bfy n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bfy s LYS 46 N -1.86 2.29 0.22 1.61 1.02 -1.26 -3.94 119.74 117.81 1bfy s LYS 46 Ca 0.00 -2.30 -0.06 0.00 0.02 0.00 0.00 55.97 53.63 1bfy s LYS 46 Cb 0.00 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 1bfy s LYS 46 CO 0.00 -1.13 0.27 0.16 -0.92 0.00 0.00 175.35 173.73 1bfy s ASP 47 N 0.94 0.06 -1.40 2.83 -4.77 -1.26 -4.94 116.67 108.13 1bfy s ASP 47 Ca 0.14 -1.19 -0.06 0.00 -3.30 0.00 0.00 52.55 48.14 1bfy s ASP 47 Cb -0.22 0.46 0.06 0.00 -1.09 0.00 0.00 42.92 42.13 1bfy s ASP 47 CO -0.03 -0.95 0.15 0.00 0.70 0.00 0.00 175.17 175.03 1bfy n GLN 48 N -0.31 -0.89 -3.30 2.11 3.00 -1.26 -4.91 117.38 111.82 1bfy n GLN 48 Ca 0.00 0.09 -0.42 0.00 -0.01 0.00 0.00 57.00 56.67 1bfy n GLN 48 Cb 0.64 -3.32 -0.08 0.00 0.00 0.00 0.00 30.24 27.48 1bfy n GLN 48 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1bfy s PHE 49 N -3.80 3.18 0.08 1.08 -0.12 -1.26 -4.53 117.98 112.61 1bfy s PHE 49 Ca 0.21 -0.01 -0.02 0.00 -0.05 0.00 0.00 56.93 57.06 1bfy s PHE 49 Cb -0.12 -2.86 -0.05 0.00 -0.63 0.00 0.00 43.02 39.36 1bfy s PHE 49 CO 0.85 -0.56 0.27 -1.21 -0.05 0.00 0.00 175.22 174.53 1bfy s GLU 50 N 2.25 3.51 0.28 1.99 2.02 -1.20 -4.89 118.70 122.66 1bfy s GLU 50 Ca 0.15 -0.29 -0.28 0.00 0.02 0.00 0.00 54.97 54.57 1bfy s GLU 50 Cb -0.16 -2.98 -0.09 0.00 0.10 0.00 0.00 34.13 30.99 1bfy s GLU 50 CO 0.13 0.57 0.95 -2.00 0.02 0.00 0.00 175.26 174.93 1bfy s GLU 51 N -2.47 4.72 -0.37 1.61 2.12 -1.26 0.13 118.70 123.17 1bfy s GLU 51 Ca 0.36 1.43 -0.10 0.00 0.36 0.00 0.00 54.97 57.02 1bfy s GLU 51 Cb -0.13 -3.05 0.04 0.00 0.26 0.00 0.00 34.13 31.24 1bfy s GLU 51 CO 0.26 0.39 0.18 0.08 -0.54 0.00 0.00 175.26 175.63 1bfy s VAL 52 N -1.38 4.34 -0.96 3.70 1.01 0.56 -4.77 120.40 122.91 1bfy s VAL 52 Ca 0.45 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 1bfy s VAL 52 Cb -0.23 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 1bfy s VAL 52 CO 0.29 -0.25 2.08 -1.84 0.00 0.00 0.00 175.10 175.38 1bfy n GLU 53 N 4.94 1.99 0.00 2.72 0.28 -1.26 -3.64 120.64 125.67 1bfy n GLU 53 Ca -0.12 -1.86 0.01 0.00 -0.16 0.00 0.00 57.16 55.04 1bfy n GLU 53 Cb 0.45 -2.83 0.08 0.00 1.43 0.00 0.00 31.44 30.57 1bfy n GLU 53 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12