#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 -2.98 -1.92 3.17 5.02 -1.26 -4.82 118.16 115.37 1bfy n LYS 2 Ca 0.00 2.40 -0.30 0.00 -2.02 0.00 0.00 58.31 58.40 1bfy n LYS 2 Cb 0.00 -3.49 0.05 0.00 -0.02 0.00 0.00 35.03 31.57 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 -3.98 2.69 -0.07 1.97 1.02 -1.22 -4.47 119.74 115.67 1bfy s LYS 3 Ca 0.00 0.37 -0.05 0.00 0.02 0.00 0.00 55.97 56.30 1bfy s LYS 3 Cb 0.00 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.31 1bfy s LYS 3 CO 0.00 -1.13 0.18 0.71 -0.92 0.00 0.00 175.35 174.20 1bfy s TYR 4 N -3.38 -0.21 -0.04 3.18 1.51 -0.48 -0.37 117.35 117.56 1bfy s TYR 4 Ca 0.59 0.53 -0.17 0.00 -1.01 0.00 0.00 57.07 57.01 1bfy s TYR 4 Cb -0.11 0.03 -0.05 0.00 -0.11 0.00 0.00 41.96 41.72 1bfy s TYR 4 CO 0.51 -0.13 0.46 -0.08 -1.11 0.00 0.00 175.55 175.20 1bfy s THR 5 N 0.51 5.05 0.00 -0.71 -1.32 0.13 -0.41 115.64 118.90 1bfy s THR 5 Ca -0.03 0.94 -0.04 0.00 -1.21 0.00 0.00 61.69 61.35 1bfy s THR 5 Cb -0.05 -3.78 -0.18 0.00 -1.51 0.00 0.00 72.50 66.98 1bfy s THR 5 CO -0.03 0.47 2.87 0.00 -2.21 0.00 0.00 174.62 175.72 1bfy n THR 7 N 2.31 0.00 -1.95 0.00 -1.04 -1.24 -2.54 114.28 109.81 1bfy n THR 7 Ca 0.28 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.87 1bfy n THR 7 Cb 0.71 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.22 1bfy n THR 7 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1bfy n VAL 8 N 0.00 3.73 0.00 12.58 0.31 -1.26 -4.10 118.33 129.60 1bfy n VAL 8 Ca 0.00 -3.47 0.00 0.00 -0.01 0.00 0.00 64.34 60.86 1bfy n VAL 8 Cb 0.00 -2.53 0.00 0.00 -0.91 0.00 0.00 33.84 30.40 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 2.20 0.90 1.61 0.00 0.00 -1.26 -5.07 105.19 103.57 1bfy n GLY 10 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.21 -1.21 -0.93 1.61 4.19 -1.26 -5.11 117.16 114.24 1bfy n TYR 11 Ca 0.00 0.21 0.00 0.00 3.31 0.00 0.00 57.90 61.42 1bfy n TYR 11 Cb 0.07 0.34 0.00 0.00 0.49 0.00 0.00 39.34 40.24 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 -3.31 -4.94 -2.83 2.97 5.41 -1.26 -5.01 119.36 110.39 1bfy n ILE 12 Ca 0.00 0.87 -0.41 0.00 1.00 0.00 0.00 62.75 64.21 1bfy n ILE 12 Cb 0.05 -2.98 -0.04 0.00 -0.71 0.00 0.00 39.64 35.96 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 -0.13 3.71 -0.25 1.39 6.14 0.46 -4.95 117.35 123.72 1bfy s TYR 13 Ca 0.00 1.61 0.02 0.00 0.64 0.00 0.00 57.07 59.34 1bfy s TYR 13 Cb 0.00 -2.99 0.05 0.00 0.42 0.00 0.00 41.96 39.44 1bfy s TYR 13 CO 0.00 0.13 -0.11 1.21 0.64 0.00 0.00 175.55 177.42 1bfy s ASN 14 N 0.44 4.21 0.23 4.32 2.47 -1.26 -1.38 114.94 123.97 1bfy s ASN 14 Ca 0.45 -1.17 -0.05 0.00 0.42 0.00 0.00 52.86 52.51 1bfy s ASN 14 Cb -0.21 -1.57 0.23 0.00 -1.45 0.00 0.00 41.25 38.25 1bfy s ASN 14 CO 0.26 -0.15 1.71 1.55 -3.72 0.00 0.00 177.10 176.75 1bfy h PRO 15 N 7.86 0.92 -0.42 0.43 0.13 -1.80 0.26 132.00 139.37 1bfy h PRO 15 Ca -0.26 -0.26 0.07 0.00 -0.87 0.00 0.00 66.00 64.68 1bfy h PRO 15 Cb 1.07 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 1bfy h PRO 15 CO 0.52 0.90 0.29 0.93 -0.23 0.00 0.00 178.00 180.41 1bfy h GLU 16 N 0.85 0.26 0.00 0.86 5.08 -1.92 0.49 114.58 120.19 1bfy h GLU 16 Ca 0.16 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.22 1bfy h GLU 16 Cb 0.49 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1bfy h GLU 16 CO 0.02 0.17 -1.69 -0.25 -1.00 0.00 0.00 179.01 176.27 1bfy n ASP 17 N -4.47 0.88 0.00 1.42 8.00 -0.89 -3.74 116.55 117.75 1bfy n ASP 17 Ca 0.06 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1bfy n ASP 17 Cb 0.30 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1bfy n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bfy n GLY 18 N 1.55 0.49 2.24 0.44 0.00 0.88 -3.92 105.19 106.87 1bfy n GLY 18 Ca -0.16 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.36 0.48 0.03 1.61 8.00 0.84 -4.62 116.55 120.54 1bfy n ASP 19 Ca 0.00 -3.05 0.02 0.00 0.71 0.00 0.00 54.79 52.48 1bfy n ASP 19 Cb 0.00 -0.38 0.38 0.00 -0.02 0.00 0.00 41.12 41.10 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 3.08 0.45 -0.50 -0.24 0.13 -1.15 0.93 132.00 134.72 1bfy h PRO 20 Ca 0.08 -0.06 0.12 0.00 -0.87 0.00 0.00 66.00 65.26 1bfy h PRO 20 Cb 0.97 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 1bfy h PRO 20 CO 0.46 0.41 0.35 -0.44 -0.23 0.00 0.00 178.00 178.55 1bfy h ASP 21 N 0.45 0.13 0.13 1.44 5.19 -1.95 -1.84 116.42 119.98 1bfy h ASP 21 Ca 0.11 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.25 1bfy h ASP 21 Cb 0.16 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.59 1bfy h ASP 21 CO -0.01 0.08 -2.14 0.59 -3.12 0.00 0.00 179.24 174.64 1bfy n ASN 22 N -4.43 0.19 0.00 6.45 3.02 -0.20 -4.99 115.26 115.30 1bfy n ASN 22 Ca 0.08 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1bfy n ASN 22 Cb 0.47 0.97 0.00 0.00 -0.61 0.00 0.00 39.78 40.60 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 1.60 -0.53 3.28 7.41 0.00 0.12 -4.96 105.19 112.12 1bfy n GLY 23 Ca -0.24 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 -0.38 3.70 0.73 1.61 1.01 -0.06 -4.88 120.40 122.13 1bfy s VAL 24 Ca 0.00 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 1bfy s VAL 24 Cb 0.00 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.39 1bfy s VAL 24 CO 0.00 -0.08 1.18 0.20 0.00 0.00 0.00 175.10 176.41 1bfy s ASN 25 N 1.41 4.26 0.65 3.32 0.01 -1.26 -0.11 114.94 123.22 1bfy s ASN 25 Ca -0.01 2.28 -0.18 0.00 -0.71 0.00 0.00 52.86 54.24 1bfy s ASN 25 Cb -0.19 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 38.89 1bfy s ASN 25 CO 0.02 -2.22 1.29 -0.81 -1.51 0.00 0.00 177.10 173.88 1bfy n PRO 26 N -2.80 1.09 -1.16 -0.60 -0.04 -1.25 -2.58 135.00 127.67 1bfy n PRO 26 Ca 0.13 0.43 -0.05 0.00 -0.04 0.00 0.00 63.50 63.96 1bfy n PRO 26 Cb 0.51 -2.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.41 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 0.91 0.78 3.61 0.55 0.00 0.16 -4.86 105.19 106.34 1bfy n GLY 27 Ca 0.16 -0.45 -0.42 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 -2.07 4.85 0.23 2.61 2.01 -1.06 -4.95 115.64 117.25 1bfy s THR 28 Ca 0.00 1.11 -0.32 0.00 0.31 0.00 0.00 61.69 62.80 1bfy s THR 28 Cb 0.00 -4.09 -0.13 0.00 0.01 0.00 0.00 72.50 68.29 1bfy s THR 28 CO 0.00 -0.19 1.52 -0.67 -0.69 0.00 0.00 174.62 174.59 1bfy n ASP 29 N 6.07 3.22 -0.37 3.53 -0.08 -1.26 -4.56 116.55 123.10 1bfy n ASP 29 Ca 0.02 1.12 0.31 0.00 -1.51 0.00 0.00 54.79 54.73 1bfy n ASP 29 Cb 0.48 -1.48 0.57 0.00 2.34 0.00 0.00 41.12 43.03 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 4.99 0.74 -0.55 -0.67 3.04 -1.87 0.27 116.94 122.89 1bfy h PHE 30 Ca -0.45 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.43 1bfy h PHE 30 Cb 1.25 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.56 1bfy h PHE 30 CO 0.59 -0.26 -0.04 1.57 -2.02 0.00 0.00 178.31 178.15 1bfy h LYS 31 N 0.15 0.98 0.00 1.11 2.10 -1.95 -2.93 116.57 116.03 1bfy h LYS 31 Ca 0.79 -0.32 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 1bfy h LYS 31 Cb 2.16 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.41 1bfy h LYS 31 CO -0.56 0.99 -0.09 -0.25 -2.00 0.00 0.00 179.45 177.53 1bfy n ASP 32 N -4.17 0.29 -4.69 7.07 8.00 0.85 -4.80 116.55 119.10 1bfy n ASP 32 Ca 0.02 0.41 -0.44 0.00 0.71 0.00 0.00 54.79 55.49 1bfy n ASP 32 Cb 0.36 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.71 0.86 -1.74 0.53 5.41 -0.58 -4.93 119.36 117.20 1bfy n ILE 33 Ca 0.06 -0.21 -0.42 0.00 1.00 0.00 0.00 62.75 63.18 1bfy n ILE 33 Cb 0.37 -1.64 -0.01 0.00 -0.71 0.00 0.00 39.64 37.65 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 2.25 2.46 0.14 0.38 -0.02 -1.26 -4.90 135.00 134.06 1bfy n PRO 34 Ca 0.11 0.87 0.12 0.00 -2.02 0.00 0.00 63.50 62.58 1bfy n PRO 34 Cb 0.33 -2.56 0.51 0.00 -0.02 0.00 0.00 33.50 31.75 1bfy n PRO 34 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bfy h ASP 35 N 3.38 0.00 0.92 2.55 3.32 -1.93 -0.48 116.42 124.19 1bfy h ASP 35 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1bfy h ASP 35 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1bfy h ASP 35 CO 0.68 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.30 1bfy n ASP 36 N -2.30 0.00 -4.79 6.45 5.75 -1.26 -4.72 116.55 115.68 1bfy n ASP 36 Ca 0.02 0.46 -0.32 0.00 -0.01 0.00 0.00 54.79 54.94 1bfy n ASP 36 Cb 0.23 -0.49 0.04 0.00 -1.03 0.00 0.00 41.12 39.87 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 -2.98 2.83 0.02 2.11 -0.00 -0.19 -5.05 118.94 115.68 1bfy s TRP 37 Ca 0.14 1.52 0.04 0.00 -0.00 0.00 0.00 56.10 57.80 1bfy s TRP 37 Cb 0.18 -3.05 -0.02 0.00 -0.00 0.00 0.00 33.47 30.58 1bfy s TRP 37 CO 0.50 -1.41 -0.13 0.08 -0.00 0.00 0.00 176.95 175.99 1bfy s VAL 38 N -2.54 1.00 0.27 5.86 1.01 -1.26 -3.70 120.40 121.04 1bfy s VAL 38 Ca 0.64 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 1bfy s VAL 38 Cb -0.17 -0.89 -0.10 0.00 0.00 0.00 0.00 36.38 35.22 1bfy s VAL 38 CO 0.43 0.09 1.31 0.00 0.00 0.00 0.00 175.10 176.93 1bfy s PRO 40 N -0.98 4.28 -1.20 0.00 0.04 -1.26 -3.63 135.00 132.24 1bfy s PRO 40 Ca 0.53 2.13 -0.04 0.00 0.04 0.00 0.00 61.00 63.65 1bfy s PRO 40 Cb -0.38 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1bfy s PRO 40 CO 0.45 -0.55 1.03 1.28 0.04 0.00 0.00 177.00 179.26 1bfy n LEU 41 N 4.62 -3.60 -4.07 -3.56 4.77 -1.26 -5.00 117.00 108.90 1bfy n LEU 41 Ca 0.13 -0.54 -0.14 0.00 -0.03 0.00 0.00 56.01 55.43 1bfy n LEU 41 Cb 0.42 -2.92 -0.03 0.00 -2.33 0.00 0.00 43.42 38.55 1bfy n LEU 41 CO 0.60 0.49 0.17 0.00 -1.33 0.00 0.00 177.39 177.33 1bfy s GLY 43 N -3.23 2.09 0.00 0.00 0.00 -1.26 -4.90 107.32 100.02 1bfy s GLY 43 Ca 0.29 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 43.20 1bfy s GLY 43 CO 0.20 -1.68 0.00 1.55 0.00 0.00 0.00 173.10 173.17 1bfy n VAL 44 N -1.68 0.00 -0.56 1.40 3.14 -1.26 -4.81 118.33 114.56 1bfy n VAL 44 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 1bfy n VAL 44 Cb 0.61 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.39 1bfy n VAL 44 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bfy n GLY 45 N 0.00 5.01 3.63 7.55 0.00 -1.26 -4.25 105.19 115.87 1bfy n GLY 45 Ca 0.00 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 1bfy n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bfy s LYS 46 N 4.01 3.99 0.31 1.61 -2.85 -1.24 -4.59 119.74 120.98 1bfy s LYS 46 Ca 0.00 1.13 0.00 0.00 -1.00 0.00 0.00 55.97 56.10 1bfy s LYS 46 Cb 0.00 -3.81 0.00 0.00 -2.06 0.00 0.00 37.83 31.96 1bfy s LYS 46 CO 0.00 -1.02 0.00 -0.40 0.10 0.00 0.00 175.35 174.03 1bfy n ASP 47 N 7.24 -2.66 -4.24 0.03 5.68 -1.26 -5.01 116.55 116.33 1bfy n ASP 47 Ca 0.13 0.59 -0.42 0.00 -0.50 0.00 0.00 54.79 54.59 1bfy n ASP 47 Cb 0.47 2.63 -0.07 0.00 -1.14 0.00 0.00 41.12 43.01 1bfy n ASP 47 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1bfy s GLN 48 N -1.64 2.76 -0.02 0.11 2.00 -1.26 -5.04 119.66 116.56 1bfy s GLN 48 Ca 0.00 -1.94 -0.01 0.00 -2.00 0.00 0.00 55.36 51.41 1bfy s GLN 48 Cb 0.00 -4.06 0.02 0.00 0.80 0.00 0.00 33.01 29.77 1bfy s GLN 48 CO 0.00 -1.24 0.05 -0.59 -0.50 0.00 0.00 175.29 173.02 1bfy s PHE 49 N 1.08 -0.04 0.17 1.67 -0.71 -1.26 -3.73 117.98 115.17 1bfy s PHE 49 Ca 0.08 0.17 0.06 0.00 -1.04 0.00 0.00 56.93 56.21 1bfy s PHE 49 Cb -0.24 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 1bfy s PHE 49 CO -0.01 -0.07 0.07 -1.21 -1.34 0.00 0.00 175.22 172.65 1bfy s GLU 50 N 0.55 2.64 0.31 1.99 2.02 -0.22 -4.93 118.70 121.06 1bfy s GLU 50 Ca -0.04 -1.01 -0.27 0.00 0.02 0.00 0.00 54.97 53.67 1bfy s GLU 50 Cb -0.06 -2.49 -0.10 0.00 0.10 0.00 0.00 34.13 31.59 1bfy s GLU 50 CO -0.02 0.46 0.97 -2.00 0.02 0.00 0.00 175.26 174.69 1bfy s GLU 51 N -3.06 4.60 -0.34 1.61 2.12 -1.26 0.21 118.70 122.59 1bfy s GLU 51 Ca 0.29 1.43 -0.04 0.00 0.36 0.00 0.00 54.97 57.01 1bfy s GLU 51 Cb -0.09 -2.91 0.06 0.00 0.26 0.00 0.00 34.13 31.44 1bfy s GLU 51 CO 0.21 0.28 0.08 0.08 -0.54 0.00 0.00 175.26 175.37 1bfy s VAL 52 N -1.49 3.40 -0.85 3.70 1.01 0.50 -4.72 120.40 121.95 1bfy s VAL 52 Ca 0.49 -1.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 1bfy s VAL 52 Cb -0.22 -3.00 -0.15 0.00 0.00 0.00 0.00 36.38 33.02 1bfy s VAL 52 CO 0.27 -0.23 3.21 -1.84 0.00 0.00 0.00 175.10 176.51 1bfy n GLU 53 N 4.71 2.97 0.00 2.72 0.28 -1.26 -3.38 120.64 126.67 1bfy n GLU 53 Ca -0.11 -1.77 0.00 0.00 -0.16 0.00 0.00 57.16 55.12 1bfy n GLU 53 Cb 0.44 -2.41 0.00 0.00 1.43 0.00 0.00 31.44 30.89 1bfy n GLU 53 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12