#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bfy s LYS 2 N 0.00 4.23 1.01 0.03 1.02 -1.26 -4.78 119.74 119.99 1bfy s LYS 2 Ca 0.00 0.80 -0.14 0.00 0.02 0.00 0.00 55.97 56.66 1bfy s LYS 2 Cb 0.00 -3.03 0.20 0.00 -0.52 0.00 0.00 37.83 34.48 1bfy s LYS 2 CO 0.00 0.49 1.11 0.15 -0.92 0.00 0.00 175.35 176.19 1bfy s LYS 3 N -1.65 0.30 -0.01 1.68 1.02 -1.22 -4.52 119.74 115.34 1bfy s LYS 3 Ca 0.38 0.33 -0.08 0.00 0.02 0.00 0.00 55.97 56.61 1bfy s LYS 3 Cb -0.18 -1.74 0.01 0.00 -0.52 0.00 0.00 37.83 35.40 1bfy s LYS 3 CO 0.21 -2.78 0.17 0.71 -0.92 0.00 0.00 175.35 172.74 1bfy s TYR 4 N -3.08 -0.03 -0.18 3.18 1.51 -0.53 -0.28 117.35 117.95 1bfy s TYR 4 Ca 0.66 0.02 -0.29 0.00 -1.01 0.00 0.00 57.07 56.45 1bfy s TYR 4 Cb -0.16 -0.01 0.00 0.00 -0.11 0.00 0.00 41.96 41.68 1bfy s TYR 4 CO 0.56 -0.28 1.02 0.99 -1.11 0.00 0.00 175.55 176.74 1bfy s THR 5 N -1.17 4.72 -0.67 -0.71 2.01 0.89 -0.60 115.64 120.11 1bfy s THR 5 Ca -0.12 2.03 -0.26 0.00 0.31 0.00 0.00 61.69 63.65 1bfy s THR 5 Cb -0.06 -4.31 -0.12 0.00 0.01 0.00 0.00 72.50 68.02 1bfy s THR 5 CO 0.02 -0.11 2.42 0.00 -0.69 0.00 0.00 174.62 176.26 1bfy s THR 7 N 13.18 2.67 -1.59 0.00 2.01 -1.26 -1.55 115.64 129.11 1bfy s THR 7 Ca 0.97 0.64 0.00 0.00 0.31 0.00 0.00 61.69 63.61 1bfy s THR 7 Cb -0.20 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1bfy s THR 7 CO 0.18 0.12 0.00 0.55 -0.69 0.00 0.00 174.62 174.79 1bfy n VAL 8 N 0.46 -0.04 -3.24 3.82 3.14 -1.26 -4.91 118.33 116.30 1bfy n VAL 8 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1bfy n VAL 8 Cb 0.43 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 31.73 1bfy n VAL 8 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bfy n GLY 10 N 0.24 1.44 2.49 0.00 0.00 -1.25 -4.83 105.19 103.27 1bfy n GLY 10 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 0.65 -1.79 -1.44 1.61 4.19 -1.26 -5.05 117.16 114.07 1bfy n TYR 11 Ca 0.12 -2.71 -0.56 0.00 3.31 0.00 0.00 57.90 58.07 1bfy n TYR 11 Cb 0.66 0.69 -0.08 0.00 0.49 0.00 0.00 39.34 41.11 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 1.07 0.00 -2.64 2.97 5.41 -1.26 -4.40 119.36 120.51 1bfy n ILE 12 Ca 0.15 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.49 1bfy n ILE 12 Cb 0.62 -0.21 -0.04 0.00 -0.71 0.00 0.00 39.64 39.29 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 1.28 3.73 -0.25 1.39 6.14 0.23 -4.92 117.35 124.96 1bfy s TYR 13 Ca 0.87 1.72 0.03 0.00 0.64 0.00 0.00 57.07 60.33 1bfy s TYR 13 Cb -1.23 -3.14 0.05 0.00 0.42 0.00 0.00 41.96 38.06 1bfy s TYR 13 CO 0.61 -0.12 -0.12 1.21 0.64 0.00 0.00 175.55 177.77 1bfy s ASN 14 N -0.16 4.24 0.24 4.32 2.47 -1.26 -1.45 114.94 123.34 1bfy s ASN 14 Ca 0.47 -1.28 -0.04 0.00 0.42 0.00 0.00 52.86 52.43 1bfy s ASN 14 Cb -0.26 -1.53 0.27 0.00 -1.45 0.00 0.00 41.25 38.27 1bfy s ASN 14 CO 0.32 -0.16 1.75 1.55 -3.72 0.00 0.00 177.10 176.84 1bfy h PRO 15 N 7.80 0.90 0.00 0.43 0.13 -1.79 0.23 132.00 139.70 1bfy h PRO 15 Ca -0.23 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1bfy h PRO 15 Cb 1.06 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1bfy h PRO 15 CO 0.49 0.86 -0.06 0.93 -0.23 0.00 0.00 178.00 179.99 1bfy h GLU 16 N 0.85 0.00 0.05 0.86 5.08 -1.87 0.51 114.58 120.07 1bfy h GLU 16 Ca 0.17 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.23 1bfy h GLU 16 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1bfy h GLU 16 CO 0.01 0.06 -1.61 -0.44 -1.00 0.00 0.00 179.01 176.03 1bfy h ASP 17 N 0.00 0.17 0.00 1.42 3.32 -1.82 -3.33 116.42 116.18 1bfy h ASP 17 Ca -0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1bfy h ASP 17 Cb 0.11 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1bfy h ASP 17 CO 0.01 1.26 0.00 0.61 -1.72 0.00 0.00 179.24 179.40 1bfy n GLY 18 N 1.63 0.58 2.26 2.75 0.00 0.77 -3.90 105.19 109.28 1bfy n GLY 18 Ca -0.17 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.45 0.27 0.01 1.61 8.00 0.90 -4.68 116.55 120.21 1bfy n ASP 19 Ca 0.00 -3.02 0.02 0.00 0.71 0.00 0.00 54.79 52.50 1bfy n ASP 19 Cb 0.00 -0.30 0.37 0.00 -0.02 0.00 0.00 41.12 41.17 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 3.24 0.50 -0.26 -0.24 0.13 -1.17 0.43 132.00 134.63 1bfy h PRO 20 Ca 0.07 -0.07 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 1bfy h PRO 20 Cb 0.97 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1bfy h PRO 20 CO 0.45 0.44 0.19 -0.44 -0.23 0.00 0.00 178.00 178.40 1bfy h ASP 21 N 0.49 0.00 0.06 1.44 5.19 -1.95 -1.69 116.42 119.96 1bfy h ASP 21 Ca 0.12 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.41 1bfy h ASP 21 Cb 0.14 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 1bfy h ASP 21 CO -0.01 0.00 -2.07 0.59 -3.12 0.00 0.00 179.24 174.64 1bfy n ASN 22 N -4.45 0.06 0.00 6.45 3.02 -0.24 -4.99 115.26 115.12 1bfy n ASN 22 Ca 0.03 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1bfy n ASN 22 Cb 0.34 1.56 0.00 0.00 -0.61 0.00 0.00 39.78 41.07 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 1.42 0.01 3.32 7.41 0.00 -0.05 -4.98 105.19 112.31 1bfy n GLY 23 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.85 4.10 0.74 1.61 1.01 -0.09 -4.89 120.40 122.03 1bfy s VAL 24 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.83 1bfy s VAL 24 Cb 0.00 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 33.12 1bfy s VAL 24 CO 0.00 -0.19 1.18 0.20 0.00 0.00 0.00 175.10 176.28 1bfy s ASN 25 N 1.46 4.27 0.64 3.32 0.01 -1.26 -0.07 114.94 123.31 1bfy s ASN 25 Ca -0.00 2.24 -0.18 0.00 -0.71 0.00 0.00 52.86 54.21 1bfy s ASN 25 Cb -0.19 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 38.88 1bfy s ASN 25 CO 0.04 -2.21 1.27 -0.81 -1.51 0.00 0.00 177.10 173.89 1bfy n PRO 26 N -2.85 1.11 -1.52 -0.60 -0.04 -1.25 -2.93 135.00 126.93 1bfy n PRO 26 Ca 0.12 0.44 -0.07 0.00 -0.04 0.00 0.00 63.50 63.95 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 0.95 0.62 3.57 0.55 0.00 0.16 -4.87 105.19 106.16 1bfy n GLY 27 Ca 0.16 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.28 5.22 0.33 2.61 2.01 -1.15 -4.96 115.64 117.42 1bfy s THR 28 Ca 0.00 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.89 1bfy s THR 28 Cb 0.00 -3.71 -0.11 0.00 0.01 0.00 0.00 72.50 68.69 1bfy s THR 28 CO 0.00 0.06 1.53 -0.62 -0.69 0.00 0.00 174.62 174.90 1bfy s ASP 29 N 1.71 6.39 0.45 3.53 -1.08 -1.26 -4.49 116.67 121.92 1bfy s ASP 29 Ca 0.11 2.96 0.29 0.00 -0.52 0.00 0.00 52.55 55.40 1bfy s ASP 29 Cb -0.16 -2.65 1.38 0.00 -1.46 0.00 0.00 42.92 40.03 1bfy s ASP 29 CO 0.11 -0.87 1.67 0.15 0.52 0.00 0.00 175.17 176.75 1bfy h PHE 30 N 4.02 0.47 -0.31 -5.34 3.04 -1.96 0.28 116.94 117.14 1bfy h PHE 30 Ca -0.49 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.34 1bfy h PHE 30 Cb 1.23 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.61 1bfy h PHE 30 CO 0.56 -0.11 -0.40 1.57 -2.02 0.00 0.00 178.31 177.91 1bfy h LYS 31 N 0.14 0.75 0.00 1.11 2.10 -1.99 -3.03 116.57 115.65 1bfy h LYS 31 Ca 0.75 -0.39 -0.01 0.00 -2.00 0.00 0.00 60.65 59.00 1bfy h LYS 31 Cb 2.38 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 33.72 1bfy h LYS 31 CO -0.32 1.02 -0.03 -0.44 -2.00 0.00 0.00 179.45 177.67 1bfy h ASP 32 N 0.61 0.00 -2.29 7.07 3.32 -0.83 -3.44 116.42 120.86 1bfy h ASP 32 Ca 0.05 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.50 1bfy h ASP 32 Cb 0.95 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.57 1bfy h ASP 32 CO 0.09 0.03 0.71 -0.38 -1.72 0.00 0.00 179.24 177.97 1bfy n ILE 33 N -3.12 0.21 -1.79 0.35 5.41 -0.72 -4.89 119.36 114.82 1bfy n ILE 33 Ca 0.02 -0.05 -0.41 0.00 1.00 0.00 0.00 62.75 63.30 1bfy n ILE 33 Cb 0.40 -1.44 -0.01 0.00 -0.71 0.00 0.00 39.64 37.88 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 0.56 4.12 0.00 0.38 0.05 -1.26 -4.86 135.00 133.99 1bfy s PRO 34 Ca 0.77 2.57 0.19 0.00 0.05 0.00 0.00 61.00 64.58 1bfy s PRO 34 Cb -0.70 -3.02 0.98 0.00 0.05 0.00 0.00 34.50 31.81 1bfy s PRO 34 CO 0.41 -0.61 1.60 -0.25 0.05 0.00 0.00 177.00 178.20 1bfy n ASP 35 N 1.93 0.00 0.23 6.66 9.92 -1.26 -0.57 116.55 133.46 1bfy n ASP 35 Ca 0.07 -0.02 0.08 0.00 -0.53 0.00 0.00 54.79 54.39 1bfy n ASP 35 Cb 0.38 -0.27 0.53 0.00 -0.64 0.00 0.00 41.12 41.12 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 -4.07 -2.24 3.32 -2.02 -3.44 116.42 107.98 1bfy h ASP 36 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1bfy h ASP 36 Cb 0.17 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.79 1bfy h ASP 36 CO 0.00 0.24 0.44 0.86 -1.72 0.00 0.00 179.24 179.06 1bfy s TRP 37 N -4.05 2.73 0.21 4.55 -0.00 0.27 -5.02 118.94 117.62 1bfy s TRP 37 Ca -0.02 1.54 0.10 0.00 -0.00 0.00 0.00 56.10 57.72 1bfy s TRP 37 Cb 0.13 -3.31 -0.05 0.00 -0.00 0.00 0.00 33.47 30.25 1bfy s TRP 37 CO 0.65 -1.54 -0.19 0.14 -0.00 0.00 0.00 176.95 176.01 1bfy s VAL 38 N -1.72 2.08 0.32 5.86 -7.23 -1.26 -3.63 120.40 114.81 1bfy s VAL 38 Ca 0.70 -2.15 -0.24 0.00 -1.81 0.00 0.00 61.98 58.49 1bfy s VAL 38 Cb -0.25 -2.07 -0.16 0.00 0.56 0.00 0.00 36.38 34.46 1bfy s VAL 38 CO 0.29 -0.37 0.26 0.00 -0.31 0.00 0.00 175.10 174.96 1bfy h PRO 40 N 0.59 0.18 -0.13 0.00 0.13 -1.93 -3.33 132.00 127.50 1bfy h PRO 40 Ca -0.33 -0.10 -0.19 0.00 -0.87 0.00 0.00 66.00 64.52 1bfy h PRO 40 Cb 1.42 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.28 1bfy h PRO 40 CO 0.50 0.64 -0.71 -0.11 -0.23 0.00 0.00 178.00 178.09 1bfy n LEU 41 N -3.96 0.12 0.00 1.56 7.94 -1.26 -4.93 117.00 116.48 1bfy n LEU 41 Ca -0.02 -2.65 0.00 0.00 -1.11 0.00 0.00 56.01 52.23 1bfy n LEU 41 Cb 0.53 0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.66 1bfy n LEU 41 CO 0.42 1.19 -0.22 0.00 -1.11 0.00 0.00 177.39 177.67 1bfy n GLY 43 N 2.22 0.71 3.28 0.00 0.00 -1.25 -5.02 105.19 105.12 1bfy n GLY 43 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1bfy n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bfy s VAL 44 N -2.73 0.09 0.99 1.61 0.11 -1.26 -4.93 120.40 114.27 1bfy s VAL 44 Ca 0.00 -0.72 -0.12 0.00 -2.93 0.00 0.00 61.98 58.21 1bfy s VAL 44 Cb 0.00 -1.17 0.18 0.00 -1.53 0.00 0.00 36.38 33.86 1bfy s VAL 44 CO 0.00 -0.40 1.08 -0.83 -3.33 0.00 0.00 175.10 171.63 1bfy s GLY 45 N -2.70 1.58 0.12 6.54 0.00 -1.26 -0.25 107.32 111.36 1bfy s GLY 45 Ca 0.02 -0.19 -0.31 0.00 0.00 0.00 0.00 44.72 44.25 1bfy s GLY 45 CO -0.10 0.40 1.57 0.50 0.00 0.00 0.00 173.10 175.47 1bfy h LYS 46 N -1.90 -0.55 -1.70 2.90 1.57 -1.85 -3.43 116.57 111.62 1bfy h LYS 46 Ca -0.54 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1bfy h LYS 46 Cb 1.31 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1bfy h LYS 46 CO 0.55 -0.37 -0.06 -3.47 -0.57 0.00 0.00 179.45 175.53 1bfy n ASP 47 N -5.45 -0.34 -0.39 0.86 2.03 -1.26 -4.65 116.55 107.36 1bfy n ASP 47 Ca -0.06 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1bfy n ASP 47 Cb 0.38 -0.09 -0.00 0.00 -0.72 0.00 0.00 41.12 40.69 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 0.31 -1.01 -3.15 -0.67 0.00 -1.26 -4.90 117.38 106.71 1bfy n GLN 48 Ca -0.00 0.78 0.05 0.00 -0.00 0.00 0.00 57.00 57.83 1bfy n GLN 48 Cb 0.03 -0.99 -0.01 0.00 0.00 0.00 0.00 30.24 29.27 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 -4.28 -0.73 0.03 3.69 -0.12 -1.26 -4.45 117.98 110.86 1bfy s PHE 49 Ca 0.00 0.76 -0.22 0.00 -0.05 0.00 0.00 56.93 57.42 1bfy s PHE 49 Cb 0.00 0.25 -0.06 0.00 -0.63 0.00 0.00 43.02 42.58 1bfy s PHE 49 CO 0.00 -0.40 0.66 -1.21 -0.05 0.00 0.00 175.22 174.22 1bfy s GLU 50 N 2.94 4.38 0.21 1.99 2.02 -1.25 -4.88 118.70 124.10 1bfy s GLU 50 Ca 0.04 0.87 -0.30 0.00 0.02 0.00 0.00 54.97 55.60 1bfy s GLU 50 Cb -0.11 -3.33 -0.08 0.00 0.10 0.00 0.00 34.13 30.71 1bfy s GLU 50 CO -0.13 0.39 1.04 -2.00 0.02 0.00 0.00 175.26 174.58 1bfy s GLU 51 N -0.33 4.68 -0.42 1.61 2.12 -1.26 -0.08 118.70 125.02 1bfy s GLU 51 Ca 0.33 1.65 -0.16 0.00 0.36 0.00 0.00 54.97 57.15 1bfy s GLU 51 Cb -0.19 -3.27 0.02 0.00 0.26 0.00 0.00 34.13 30.95 1bfy s GLU 51 CO 0.20 0.23 0.37 0.08 -0.54 0.00 0.00 175.26 175.59 1bfy s VAL 52 N -0.63 5.18 -1.15 3.70 1.01 0.62 -4.83 120.40 124.30 1bfy s VAL 52 Ca 0.46 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1bfy s VAL 52 Cb -0.28 -3.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 1bfy s VAL 52 CO 0.35 -0.37 2.46 -1.84 0.00 0.00 0.00 175.10 175.70 1bfy n GLU 53 N 5.37 2.68 0.00 2.72 0.28 -1.26 -3.41 120.64 127.01 1bfy n GLU 53 Ca -0.09 -1.71 0.13 0.00 -0.16 0.00 0.00 57.16 55.33 1bfy n GLU 53 Cb 0.47 -2.56 0.77 0.00 1.43 0.00 0.00 31.44 31.55 1bfy n GLU 53 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36