#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 4.14 1.02 2.12 1.02 -1.26 -4.64 119.74 122.14 1bfy s LYS 2 Ca 0.00 2.39 -0.14 0.00 0.02 0.00 0.00 55.97 58.25 1bfy s LYS 2 Cb 0.00 -2.95 0.20 0.00 -0.52 0.00 0.00 37.83 34.56 1bfy s LYS 2 CO 0.00 -0.44 1.11 0.15 -0.92 0.00 0.00 175.35 175.25 1bfy s LYS 3 N -2.04 0.25 -0.03 1.68 1.02 -1.26 -4.58 119.74 114.77 1bfy s LYS 3 Ca 0.53 0.34 -0.02 0.00 0.02 0.00 0.00 55.97 56.84 1bfy s LYS 3 Cb -0.43 -1.73 0.02 0.00 -0.52 0.00 0.00 37.83 35.17 1bfy s LYS 3 CO 0.58 -2.82 0.07 0.71 -0.92 0.00 0.00 175.35 172.98 1bfy s TYR 4 N -3.05 -0.06 0.41 3.18 1.51 -0.44 -0.31 117.35 118.57 1bfy s TYR 4 Ca 0.66 0.24 -0.11 0.00 -1.01 0.00 0.00 57.07 56.85 1bfy s TYR 4 Cb -0.16 -0.08 -0.07 0.00 -0.11 0.00 0.00 41.96 41.54 1bfy s TYR 4 CO 0.56 -0.09 0.78 -0.08 -1.11 0.00 0.00 175.55 175.62 1bfy s THR 5 N 0.65 4.77 0.91 -0.71 -1.32 0.17 -0.27 115.64 119.84 1bfy s THR 5 Ca -0.05 0.67 -0.12 0.00 -1.21 0.00 0.00 61.69 60.97 1bfy s THR 5 Cb -0.07 -3.73 0.14 0.00 -1.51 0.00 0.00 72.50 67.33 1bfy s THR 5 CO -0.02 -0.52 1.14 0.00 -2.21 0.00 0.00 174.62 173.01 1bfy n THR 7 N -3.77 1.14 0.11 0.00 5.66 -1.26 -4.75 114.28 111.40 1bfy n THR 7 Ca 0.07 -1.32 0.00 0.00 -3.05 0.00 0.00 64.05 59.75 1bfy n THR 7 Cb 0.59 0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.57 1bfy n THR 7 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1bfy n VAL 8 N -0.81 0.44 0.00 1.08 0.31 -1.26 -5.05 118.33 113.04 1bfy n VAL 8 Ca 0.08 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1bfy n VAL 8 Cb 0.55 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 1bfy n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bfy n GLY 10 N 2.97 0.00 3.04 0.00 0.00 -1.26 -4.97 105.19 104.97 1bfy n GLY 10 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.93 -1.44 1.61 4.19 -1.26 -4.69 117.16 119.50 1bfy n TYR 11 Ca 0.00 -2.93 -0.57 0.00 3.31 0.00 0.00 57.90 57.71 1bfy n TYR 11 Cb 0.00 -2.55 -0.09 0.00 0.49 0.00 0.00 39.34 37.19 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 5.44 0.12 -2.41 2.97 5.41 -1.26 -4.46 119.36 125.17 1bfy n ILE 12 Ca 0.50 -0.10 -0.41 0.00 1.00 0.00 0.00 62.75 63.73 1bfy n ILE 12 Cb 0.41 -1.04 -0.03 0.00 -0.71 0.00 0.00 39.64 38.27 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 5.82 3.46 -0.21 1.39 6.14 0.62 -4.92 117.35 129.67 1bfy s TYR 13 Ca 1.11 1.44 0.01 0.00 0.64 0.00 0.00 57.07 60.28 1bfy s TYR 13 Cb -1.19 -3.40 0.04 0.00 0.42 0.00 0.00 41.96 37.83 1bfy s TYR 13 CO 0.61 -1.09 -0.12 1.21 0.64 0.00 0.00 175.55 176.80 1bfy s ASN 14 N 0.22 3.52 0.13 4.32 3.84 -1.26 -1.33 114.94 124.38 1bfy s ASN 14 Ca 0.53 -0.94 -0.15 0.00 0.21 0.00 0.00 52.86 52.52 1bfy s ASN 14 Cb -0.31 -1.31 -0.01 0.00 -0.55 0.00 0.00 41.25 39.06 1bfy s ASN 14 CO 0.35 -0.13 1.61 1.55 -2.79 0.00 0.00 177.10 177.68 1bfy h PRO 15 N 7.94 0.70 -0.30 0.43 0.13 -1.81 0.47 132.00 139.56 1bfy h PRO 15 Ca -0.29 -0.19 0.09 0.00 -0.87 0.00 0.00 66.00 64.74 1bfy h PRO 15 Cb 1.09 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1bfy h PRO 15 CO 0.49 0.74 0.22 0.93 -0.23 0.00 0.00 178.00 180.16 1bfy h GLU 16 N 0.55 0.00 0.00 0.86 5.08 -1.87 0.49 114.58 119.69 1bfy h GLU 16 Ca 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1bfy h GLU 16 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1bfy h GLU 16 CO 0.01 0.00 -2.11 -0.25 -1.00 0.00 0.00 179.01 175.66 1bfy n ASP 17 N -4.35 0.11 -0.05 1.42 9.92 -1.07 -3.86 116.55 118.66 1bfy n ASP 17 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1bfy n ASP 17 Cb 0.39 1.64 0.00 0.00 -0.64 0.00 0.00 41.12 42.51 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 1.45 0.59 2.20 0.44 0.00 0.16 -4.05 105.19 105.99 1bfy n GLY 18 Ca -0.14 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.68 0.68 0.19 1.61 8.00 0.91 -4.56 116.55 120.70 1bfy n ASP 19 Ca 0.00 -2.98 0.05 0.00 0.71 0.00 0.00 54.79 52.58 1bfy n ASP 19 Cb 0.00 -0.58 0.51 0.00 -0.02 0.00 0.00 41.12 41.03 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 0.11 -0.09 -0.24 0.13 -1.17 0.10 132.00 133.98 1bfy h PRO 20 Ca 0.09 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 65.23 1bfy h PRO 20 Cb 0.96 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1bfy h PRO 20 CO 0.49 0.19 0.07 -0.44 -0.23 0.00 0.00 178.00 178.08 1bfy h ASP 21 N 0.11 0.00 0.06 1.44 5.19 -1.94 -2.39 116.42 118.89 1bfy h ASP 21 Ca 0.02 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.10 1bfy h ASP 21 Cb 0.20 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.65 1bfy h ASP 21 CO 0.01 0.00 -2.28 0.59 -3.12 0.00 0.00 179.24 174.44 1bfy n ASN 22 N -4.46 0.11 0.00 6.45 3.02 -0.20 -5.00 115.26 115.18 1bfy n ASN 22 Ca -0.01 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1bfy n ASN 22 Cb 0.18 0.94 0.00 0.00 -0.61 0.00 0.00 39.78 40.29 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 1.69 0.41 3.12 7.41 0.00 0.17 -4.99 105.19 113.01 1bfy n GLY 23 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.56 2.59 0.76 1.61 1.01 -0.09 -4.90 120.40 120.82 1bfy s VAL 24 Ca 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 61.98 60.34 1bfy s VAL 24 Cb 0.00 -2.51 0.06 0.00 0.00 0.00 0.00 36.38 33.93 1bfy s VAL 24 CO 0.00 -0.07 1.18 0.20 0.00 0.00 0.00 175.10 176.41 1bfy s ASN 25 N 1.18 4.07 0.63 3.32 0.01 -1.26 -0.06 114.94 122.83 1bfy s ASN 25 Ca -0.07 2.25 -0.19 0.00 -0.71 0.00 0.00 52.86 54.14 1bfy s ASN 25 Cb -0.20 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 38.87 1bfy s ASN 25 CO -0.03 -2.34 1.30 -2.16 -1.51 0.00 0.00 177.10 172.36 1bfy s PRO 26 N -4.14 2.67 -0.22 -0.60 0.04 -1.26 -2.78 135.00 128.71 1bfy s PRO 26 Ca 0.71 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.84 1bfy s PRO 26 Cb -0.26 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1bfy s PRO 26 CO 0.48 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1bfy n GLY 27 N 0.85 0.55 3.58 0.56 0.00 0.16 -4.86 105.19 106.03 1bfy n GLY 27 Ca 0.15 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.98 4.83 0.25 2.61 2.01 -1.12 -4.93 115.64 117.32 1bfy s THR 28 Ca 0.00 0.74 -0.31 0.00 0.31 0.00 0.00 61.69 62.43 1bfy s THR 28 Cb 0.00 -4.12 -0.13 0.00 0.01 0.00 0.00 72.50 68.26 1bfy s THR 28 CO 0.00 -0.34 1.47 -0.67 -0.69 0.00 0.00 174.62 174.38 1bfy n ASP 29 N 6.17 3.08 -0.45 3.53 -0.08 -1.26 -4.48 116.55 123.07 1bfy n ASP 29 Ca 0.01 1.14 0.37 0.00 -1.51 0.00 0.00 54.79 54.80 1bfy n ASP 29 Cb 0.48 -1.48 0.65 0.00 2.34 0.00 0.00 41.12 43.12 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 4.43 0.49 -0.30 -0.67 3.04 -1.95 0.16 116.94 122.14 1bfy h PHE 30 Ca -0.46 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.40 1bfy h PHE 30 Cb 1.26 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.64 1bfy h PHE 30 CO 0.57 -0.18 -0.28 1.57 -2.02 0.00 0.00 178.31 177.96 1bfy h LYS 31 N 0.09 0.72 0.00 1.11 2.10 -2.00 -3.03 116.57 115.56 1bfy h LYS 31 Ca 0.81 -0.37 -0.01 0.00 -2.00 0.00 0.00 60.65 59.08 1bfy h LYS 31 Cb 2.58 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 33.92 1bfy h LYS 31 CO -0.39 0.99 -0.06 -0.44 -2.00 0.00 0.00 179.45 177.55 1bfy h ASP 32 N 0.47 0.00 -2.18 7.07 5.19 -1.08 -3.44 116.42 122.44 1bfy h ASP 32 Ca 0.05 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.85 1bfy h ASP 32 Cb 0.85 0.00 0.06 0.00 0.18 0.00 0.00 39.33 40.42 1bfy h ASP 32 CO 0.07 0.06 0.69 -0.38 -3.12 0.00 0.00 179.24 176.56 1bfy n ILE 33 N -3.23 0.12 -1.97 0.35 5.41 -0.71 -4.90 119.36 114.43 1bfy n ILE 33 Ca -0.00 -0.03 -0.41 0.00 1.00 0.00 0.00 62.75 63.31 1bfy n ILE 33 Cb 0.28 -1.36 -0.01 0.00 -0.71 0.00 0.00 39.64 37.84 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 0.65 4.17 0.62 0.38 0.04 -1.26 -4.88 135.00 134.72 1bfy s PRO 34 Ca 0.79 2.36 0.34 0.00 0.04 0.00 0.00 61.00 64.52 1bfy s PRO 34 Cb -0.74 -2.97 1.91 0.00 0.04 0.00 0.00 34.50 32.74 1bfy s PRO 34 CO 0.41 -0.40 2.18 -0.44 0.04 0.00 0.00 177.00 178.80 1bfy h ASP 35 N 3.08 0.00 0.90 6.66 3.32 -1.92 -0.05 116.42 128.40 1bfy h ASP 35 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1bfy h ASP 35 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1bfy h ASP 35 CO 0.64 0.00 0.00 0.44 -1.72 0.00 0.00 179.24 178.60 1bfy h ASP 36 N 0.00 0.00 -4.19 6.45 3.32 -2.02 -3.45 116.42 116.53 1bfy h ASP 36 Ca 0.03 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.60 1bfy h ASP 36 Cb 0.28 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.88 1bfy h ASP 36 CO -0.00 0.00 0.38 0.86 -1.72 0.00 0.00 179.24 178.76 1bfy s TRP 37 N -3.61 3.09 0.02 4.55 -0.00 -0.03 -5.07 118.94 117.89 1bfy s TRP 37 Ca 0.01 1.50 0.00 0.00 -0.00 0.00 0.00 56.10 57.62 1bfy s TRP 37 Cb 0.09 -2.96 -0.02 0.00 -0.00 0.00 0.00 33.47 30.58 1bfy s TRP 37 CO 0.50 -0.94 -0.03 0.08 -0.00 0.00 0.00 176.95 176.56 1bfy s VAL 38 N -2.48 0.13 0.01 5.86 1.01 -1.26 -4.24 120.40 119.43 1bfy s VAL 38 Ca 0.63 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1bfy s VAL 38 Cb -0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1bfy s VAL 38 CO 0.35 -0.47 1.26 0.00 0.00 0.00 0.00 175.10 176.24 1bfy s PRO 40 N 1.73 4.37 -1.62 0.00 0.04 -1.26 -0.97 135.00 137.30 1bfy s PRO 40 Ca 0.59 2.19 -0.02 0.00 0.04 0.00 0.00 61.00 63.80 1bfy s PRO 40 Cb -0.29 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1bfy s PRO 40 CO 0.26 -0.17 0.22 1.28 0.04 0.00 0.00 177.00 178.64 1bfy n LEU 41 N 0.90 -2.09 0.14 -3.56 4.77 -1.26 -4.71 117.00 111.19 1bfy n LEU 41 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1bfy n LEU 41 Cb 0.42 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.67 1bfy n LEU 41 CO 0.59 -0.04 0.00 0.00 -1.33 0.00 0.00 177.39 176.60 1bfy n GLY 43 N 0.34 0.36 3.66 0.00 0.00 -0.14 -5.01 105.19 104.39 1bfy n GLY 43 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.20 3.65 0.70 1.61 1.01 -1.26 -4.91 120.40 119.01 1bfy s VAL 44 Ca 0.00 -1.54 -0.14 0.00 0.00 0.00 0.00 61.98 60.29 1bfy s VAL 44 Cb 0.00 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1bfy s VAL 44 CO 0.00 -0.18 1.13 -0.83 0.00 0.00 0.00 175.10 175.22 1bfy s GLY 45 N -3.13 2.11 0.12 4.51 0.00 -1.26 -2.14 107.32 107.52 1bfy s GLY 45 Ca 0.28 0.58 -0.14 0.00 0.00 0.00 0.00 44.72 45.44 1bfy s GLY 45 CO 0.19 0.94 1.50 0.07 0.00 0.00 0.00 173.10 175.81 1bfy h LYS 46 N -0.27 0.73 -5.37 2.90 2.10 -1.86 -3.39 116.57 111.41 1bfy h LYS 46 Ca -0.46 -0.30 -0.60 0.00 -2.00 0.00 0.00 60.65 57.29 1bfy h LYS 46 Cb 1.25 -0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 32.50 1bfy h LYS 46 CO 0.52 0.90 2.10 -0.25 -2.00 0.00 0.00 179.45 180.72 1bfy n ASP 47 N -4.35 4.15 0.00 7.07 9.92 -1.26 -1.15 116.55 130.94 1bfy n ASP 47 Ca -0.02 -2.84 0.00 0.00 -0.53 0.00 0.00 54.79 51.40 1bfy n ASP 47 Cb 0.37 -1.69 0.00 0.00 -0.64 0.00 0.00 41.12 39.17 1bfy n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bfy n GLN 48 N 7.90 0.00 -1.71 -1.24 6.02 -1.26 -5.13 117.38 121.95 1bfy n GLN 48 Ca 0.49 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 57.06 1bfy n GLN 48 Cb 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 1bfy n GLN 48 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1bfy n PHE 49 N -0.02 2.34 -4.45 1.08 3.01 -0.30 -4.57 117.46 114.56 1bfy n PHE 49 Ca 0.00 0.50 -0.32 0.00 1.01 0.00 0.00 57.45 58.65 1bfy n PHE 49 Cb 0.00 -2.42 -0.10 0.00 -0.01 0.00 0.00 39.48 36.95 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 -2.11 2.45 0.27 -1.08 2.02 -0.11 -4.91 118.70 115.24 1bfy s GLU 50 Ca 0.58 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 54.49 1bfy s GLU 50 Cb -0.52 -2.45 -0.10 0.00 0.10 0.00 0.00 34.13 31.17 1bfy s GLU 50 CO 0.60 0.58 1.41 -2.00 0.02 0.00 0.00 175.26 175.87 1bfy s GLU 51 N -1.54 4.28 -0.44 1.61 2.12 -1.26 0.45 118.70 123.92 1bfy s GLU 51 Ca 0.18 2.29 -0.19 0.00 0.36 0.00 0.00 54.97 57.60 1bfy s GLU 51 Cb -0.11 -3.10 0.03 0.00 0.26 0.00 0.00 34.13 31.21 1bfy s GLU 51 CO 0.08 -0.37 0.53 0.08 -0.54 0.00 0.00 175.26 175.05 1bfy s VAL 52 N -0.31 4.97 -1.12 3.70 1.01 0.57 -4.70 120.40 124.53 1bfy s VAL 52 Ca 0.57 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 62.11 1bfy s VAL 52 Cb -0.41 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 1bfy s VAL 52 CO 0.46 -0.53 1.96 -1.83 0.00 0.00 0.00 175.10 175.16 1bfy s GLU 53 N 2.43 2.40 0.00 2.72 -1.05 -1.26 -4.00 118.70 119.93 1bfy s GLU 53 Ca 0.16 -0.94 0.01 0.00 -0.15 0.00 0.00 54.97 54.05 1bfy s GLU 53 Cb -0.16 -5.19 0.05 0.00 -0.44 0.00 0.00 34.13 28.39 1bfy s GLU 53 CO 0.15 -3.99 0.55 0.39 0.95 0.00 0.00 175.26 173.31