#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 -2.92 -1.75 3.17 5.02 -1.26 -4.77 118.16 115.65 1bfy n LYS 2 Ca 0.00 2.28 -0.30 0.00 -2.02 0.00 0.00 58.31 58.27 1bfy n LYS 2 Cb 0.00 -3.44 0.05 0.00 -0.02 0.00 0.00 35.03 31.62 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 -3.64 2.80 -0.00 1.97 1.02 -1.24 -4.46 119.74 116.20 1bfy s LYS 3 Ca 0.00 0.63 0.01 0.00 0.02 0.00 0.00 55.97 56.63 1bfy s LYS 3 Cb 0.00 -2.00 -0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1bfy s LYS 3 CO 0.00 -1.11 -0.02 0.71 -0.92 0.00 0.00 175.35 174.00 1bfy s TYR 4 N -3.23 0.21 0.42 3.18 1.51 -0.32 -0.28 117.35 118.84 1bfy s TYR 4 Ca 0.58 -0.06 -0.02 0.00 -1.01 0.00 0.00 57.07 56.56 1bfy s TYR 4 Cb -0.12 -0.13 -0.03 0.00 -0.11 0.00 0.00 41.96 41.56 1bfy s TYR 4 CO 0.53 -0.01 0.68 -0.08 -1.11 0.00 0.00 175.55 175.56 1bfy s THR 5 N -0.12 4.93 0.00 -0.71 -1.32 0.11 -0.13 115.64 118.39 1bfy s THR 5 Ca 0.00 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1bfy s THR 5 Cb -0.01 -3.84 0.00 0.00 -1.51 0.00 0.00 72.50 67.14 1bfy s THR 5 CO -0.00 -0.69 0.00 0.00 -2.21 0.00 0.00 174.62 171.72 1bfy n THR 7 N 0.00 0.00 -0.02 0.00 5.66 -1.26 -4.48 114.28 114.19 1bfy n THR 7 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1bfy n THR 7 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1bfy n THR 7 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1bfy n VAL 8 N -2.09 0.47 -0.13 1.08 3.14 -1.26 -4.75 118.33 114.78 1bfy n VAL 8 Ca 0.00 0.32 -0.09 0.00 -2.96 0.00 0.00 64.34 61.61 1bfy n VAL 8 Cb 0.00 -1.64 0.05 0.00 -1.06 0.00 0.00 33.84 31.19 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 -0.23 0.63 3.57 0.00 0.00 -1.26 -4.97 105.19 102.92 1bfy n GLY 10 Ca 0.01 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 1bfy n GLY 10 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bfy s TYR 11 N -2.09 1.56 -0.23 1.61 2.02 -1.26 -4.72 117.35 114.24 1bfy s TYR 11 Ca 0.00 1.23 -0.30 0.00 -0.37 0.00 0.00 57.07 57.62 1bfy s TYR 11 Cb 0.00 -3.76 -0.07 0.00 -0.40 0.00 0.00 41.96 37.72 1bfy s TYR 11 CO 0.00 -1.47 2.19 -0.89 -1.57 0.00 0.00 175.55 173.81 1bfy n ILE 12 N 8.29 0.34 -2.41 2.71 5.41 -1.26 -4.00 119.36 128.43 1bfy n ILE 12 Ca 0.43 -0.38 -0.41 0.00 1.00 0.00 0.00 62.75 63.39 1bfy n ILE 12 Cb 0.46 -2.29 -0.03 0.00 -0.71 0.00 0.00 39.64 37.06 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 7.69 3.46 -0.23 1.39 6.14 0.81 -4.91 117.35 131.71 1bfy s TYR 13 Ca 1.02 1.41 0.02 0.00 0.64 0.00 0.00 57.07 60.16 1bfy s TYR 13 Cb -0.49 -3.40 0.05 0.00 0.42 0.00 0.00 41.96 38.54 1bfy s TYR 13 CO 0.40 -1.14 -0.12 1.21 0.64 0.00 0.00 175.55 176.54 1bfy s ASN 14 N 0.42 3.93 0.25 4.32 2.47 -1.26 -1.18 114.94 123.89 1bfy s ASN 14 Ca 0.54 -1.14 -0.05 0.00 0.42 0.00 0.00 52.86 52.64 1bfy s ASN 14 Cb -0.31 -1.43 0.28 0.00 -1.45 0.00 0.00 41.25 38.33 1bfy s ASN 14 CO 0.34 -0.15 1.82 1.55 -3.72 0.00 0.00 177.10 176.94 1bfy h PRO 15 N 7.86 1.08 -0.33 0.43 0.13 -1.80 0.33 132.00 139.70 1bfy h PRO 15 Ca -0.26 -0.18 0.04 0.00 -0.87 0.00 0.00 66.00 64.73 1bfy h PRO 15 Cb 1.07 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 1bfy h PRO 15 CO 0.49 0.87 0.22 0.93 -0.23 0.00 0.00 178.00 180.28 1bfy h GLU 16 N 1.06 0.29 0.02 0.86 5.08 -1.92 0.49 114.58 120.46 1bfy h GLU 16 Ca 0.25 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.31 1bfy h GLU 16 Cb 0.18 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1bfy h GLU 16 CO -0.02 0.19 -1.57 -0.44 -1.00 0.00 0.00 179.01 176.17 1bfy h ASP 17 N 0.30 0.07 0.00 1.42 3.32 -1.64 -3.28 116.42 116.61 1bfy h ASP 17 Ca 0.14 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1bfy h ASP 17 Cb 0.18 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1bfy h ASP 17 CO -0.03 1.11 0.00 0.61 -1.72 0.00 0.00 179.24 179.21 1bfy n GLY 18 N 1.56 0.52 2.25 2.75 0.00 0.11 -3.84 105.19 108.54 1bfy n GLY 18 Ca -0.14 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 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 0.36 0.02 1.61 8.00 0.82 -4.51 116.55 120.51 1bfy n ASP 19 Ca 0.00 -3.04 0.02 0.00 0.71 0.00 0.00 54.79 52.49 1bfy n ASP 19 Cb 0.00 -0.33 0.38 0.00 -0.02 0.00 0.00 41.12 41.15 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 3.16 0.49 -0.42 -0.24 0.13 -1.17 0.50 132.00 134.44 1bfy h PRO 20 Ca 0.07 -0.06 0.11 0.00 -0.87 0.00 0.00 66.00 65.25 1bfy h PRO 20 Cb 0.97 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 1bfy h PRO 20 CO 0.46 0.42 0.30 -0.44 -0.23 0.00 0.00 178.00 178.50 1bfy h ASP 21 N 0.48 0.05 0.12 1.44 5.19 -1.95 -1.95 116.42 119.80 1bfy h ASP 21 Ca 0.12 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.17 1bfy h ASP 21 Cb 0.12 -0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.56 1bfy h ASP 21 CO -0.01 0.03 -2.23 0.59 -3.12 0.00 0.00 179.24 174.50 1bfy n ASN 22 N -4.43 0.77 0.00 6.45 3.02 -0.30 -5.00 115.26 115.77 1bfy n ASN 22 Ca 0.07 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1bfy n ASN 22 Cb 0.46 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.96 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 1.83 -0.80 3.30 7.41 0.00 -0.01 -4.99 105.19 111.92 1bfy n GLY 23 Ca -0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.06 3.82 0.71 1.61 1.01 -0.18 -4.89 120.40 122.42 1bfy s VAL 24 Ca 0.00 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 1bfy s VAL 24 Cb 0.00 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.34 1bfy s VAL 24 CO 0.00 -0.06 1.18 0.20 0.00 0.00 0.00 175.10 176.43 1bfy s ASN 25 N 1.44 4.41 0.56 3.32 0.01 -1.26 -0.13 114.94 123.28 1bfy s ASN 25 Ca 0.00 2.27 -0.21 0.00 -0.71 0.00 0.00 52.86 54.21 1bfy s ASN 25 Cb -0.18 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 38.85 1bfy s ASN 25 CO 0.02 -2.12 1.26 -0.81 -1.51 0.00 0.00 177.10 173.94 1bfy n PRO 26 N -2.65 1.46 -1.05 -0.60 -0.04 -1.25 -2.64 135.00 128.24 1bfy n PRO 26 Ca 0.13 0.54 -0.02 0.00 -0.04 0.00 0.00 63.50 64.11 1bfy n PRO 26 Cb 0.51 -2.46 -0.01 0.00 -0.04 0.00 0.00 33.50 31.50 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 0.90 0.53 3.61 0.55 0.00 0.16 -4.86 105.19 106.09 1bfy n GLY 27 Ca 0.11 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.99 4.85 0.28 2.61 2.01 -1.08 -4.94 115.64 117.38 1bfy s THR 28 Ca 0.00 1.10 -0.30 0.00 0.31 0.00 0.00 61.69 62.80 1bfy s THR 28 Cb 0.00 -4.09 -0.12 0.00 0.01 0.00 0.00 72.50 68.30 1bfy s THR 28 CO 0.00 -0.20 1.51 -0.67 -0.69 0.00 0.00 174.62 174.58 1bfy n ASP 29 N 6.08 3.44 -0.39 3.53 -0.08 -1.26 -4.56 116.55 123.31 1bfy n ASP 29 Ca 0.02 1.15 0.31 0.00 -1.51 0.00 0.00 54.79 54.77 1bfy n ASP 29 Cb 0.48 -1.54 0.59 0.00 2.34 0.00 0.00 41.12 42.99 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 4.40 0.64 -0.60 -0.67 3.57 -1.86 0.30 116.94 122.73 1bfy h PHE 30 Ca -0.46 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 60.96 1bfy h PHE 30 Cb 1.24 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 1bfy h PHE 30 CO 0.57 -0.16 -0.03 1.57 -2.23 0.00 0.00 178.31 178.02 1bfy h LYS 31 N 0.18 1.07 0.00 1.11 2.10 -1.93 -3.01 116.57 116.10 1bfy h LYS 31 Ca 0.76 -0.36 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1bfy h LYS 31 Cb 2.18 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.42 1bfy h LYS 31 CO -0.44 1.06 -0.00 -0.25 -2.00 0.00 0.00 179.45 177.82 1bfy n ASP 32 N -4.17 0.49 -4.69 7.07 8.00 0.96 -4.81 116.55 119.41 1bfy n ASP 32 Ca 0.03 0.54 -0.44 0.00 0.71 0.00 0.00 54.79 55.63 1bfy n ASP 32 Cb 0.37 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.96 0.56 -1.68 0.53 5.41 -0.57 -4.91 119.36 116.75 1bfy n ILE 33 Ca 0.06 -0.14 -0.44 0.00 1.00 0.00 0.00 62.75 63.23 1bfy n ILE 33 Cb 0.39 -1.64 -0.02 0.00 -0.71 0.00 0.00 39.64 37.67 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 2.70 2.04 0.24 0.38 -0.02 -1.26 -4.89 135.00 134.19 1bfy n PRO 34 Ca 0.13 0.72 0.16 0.00 -2.02 0.00 0.00 63.50 62.50 1bfy n PRO 34 Cb 0.32 -2.35 0.65 0.00 -0.02 0.00 0.00 33.50 32.10 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 3.72 0.00 0.95 2.55 5.19 -1.93 -0.32 116.42 126.58 1bfy h ASP 35 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1bfy h ASP 35 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1bfy h ASP 35 CO 0.72 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.94 1bfy n ASP 36 N -2.84 0.24 -4.78 6.45 5.75 -1.26 -4.62 116.55 115.48 1bfy n ASP 36 Ca 0.01 0.53 -0.35 0.00 -0.01 0.00 0.00 54.79 54.97 1bfy n ASP 36 Cb 0.27 -0.59 -0.01 0.00 -1.03 0.00 0.00 41.12 39.76 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 -3.06 2.80 0.12 2.11 -0.00 -0.13 -5.02 118.94 115.76 1bfy s TRP 37 Ca 0.11 1.56 0.06 0.00 -0.00 0.00 0.00 56.10 57.83 1bfy s TRP 37 Cb 0.14 -3.21 -0.04 0.00 -0.00 0.00 0.00 33.47 30.36 1bfy s TRP 37 CO 0.47 -1.30 -0.16 0.14 -0.00 0.00 0.00 176.95 176.10 1bfy s VAL 38 N -1.83 1.42 0.25 5.86 -7.23 -1.26 -3.09 120.40 114.52 1bfy s VAL 38 Ca 0.70 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 58.91 1bfy s VAL 38 Cb -0.21 -1.51 -0.09 0.00 0.56 0.00 0.00 36.38 35.12 1bfy s VAL 38 CO 0.25 -0.33 1.13 0.00 -0.31 0.00 0.00 175.10 175.84 1bfy n PRO 40 N 1.58 2.63 -3.13 0.00 -0.04 -1.26 -2.02 135.00 132.76 1bfy n PRO 40 Ca 0.00 0.95 -0.22 0.00 -0.04 0.00 0.00 63.50 64.20 1bfy n PRO 40 Cb 0.45 -2.80 0.01 0.00 -0.04 0.00 0.00 33.50 31.12 1bfy n PRO 40 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bfy n LEU 41 N 4.68 -2.06 0.00 1.53 4.77 -1.26 -4.92 117.00 119.74 1bfy n LEU 41 Ca 0.17 -0.30 -0.16 0.00 -0.03 0.00 0.00 56.01 55.70 1bfy n LEU 41 Cb 0.34 -2.54 -0.05 0.00 -2.33 0.00 0.00 43.42 38.84 1bfy n LEU 41 CO 0.65 0.17 -0.10 0.00 -1.33 0.00 0.00 177.39 176.78 1bfy n GLY 43 N 0.19 1.80 3.36 0.00 0.00 -1.26 -4.79 105.19 104.49 1bfy n GLY 43 Ca -0.03 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.39 0.04 1.01 1.61 0.11 -1.26 -5.08 120.40 113.45 1bfy s VAL 44 Ca 0.28 -0.33 -0.17 0.00 -2.93 0.00 0.00 61.98 58.82 1bfy s VAL 44 Cb 0.42 -1.03 0.24 0.00 -1.53 0.00 0.00 36.38 34.48 1bfy s VAL 44 CO 0.01 -0.18 1.25 0.61 -3.33 0.00 0.00 175.10 173.46 1bfy n GLY 45 N 0.13 -1.78 0.31 6.54 0.00 -1.26 -2.05 105.19 107.08 1bfy n GLY 45 Ca -0.17 -1.66 0.21 0.00 0.00 0.00 0.00 46.02 44.39 1bfy n GLY 45 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1bfy h LYS 46 N 0.00 0.00 0.00 1.61 2.10 -1.80 -3.43 116.57 115.05 1bfy h LYS 46 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1bfy h LYS 46 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1bfy h LYS 46 CO 0.29 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.49 1bfy n ASP 47 N -3.01 0.00 -3.06 7.07 9.92 -1.26 -0.71 116.55 125.49 1bfy n ASP 47 Ca -0.02 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.05 1bfy n ASP 47 Cb 0.13 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.57 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 0.00 0.73 -1.08 -1.24 1.13 -1.26 -5.14 117.38 110.51 1bfy n GLN 48 Ca 0.00 -2.78 -0.36 0.00 -1.94 0.00 0.00 57.00 51.92 1bfy n GLN 48 Cb 0.00 -1.29 0.07 0.00 0.11 0.00 0.00 30.24 29.13 1bfy n GLN 48 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1bfy n PHE 49 N 1.47 -2.19 -3.62 1.08 3.01 0.11 -4.99 117.46 112.33 1bfy n PHE 49 Ca 0.17 0.25 -0.33 0.00 1.01 0.00 0.00 57.45 58.55 1bfy n PHE 49 Cb 0.56 -1.75 -0.05 0.00 -0.01 0.00 0.00 39.48 38.23 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 -2.61 3.69 0.36 -1.08 2.02 -1.09 -4.89 118.70 115.09 1bfy s GLU 50 Ca 0.57 0.05 -0.26 0.00 0.02 0.00 0.00 54.97 55.34 1bfy s GLU 50 Cb -0.29 -2.92 -0.09 0.00 0.10 0.00 0.00 34.13 30.93 1bfy s GLU 50 CO 0.67 0.51 1.06 -2.00 0.02 0.00 0.00 175.26 175.52 1bfy s GLU 51 N -2.27 4.33 -0.34 1.61 2.12 -1.26 0.03 118.70 122.92 1bfy s GLU 51 Ca 0.37 1.61 -0.08 0.00 0.36 0.00 0.00 54.97 57.23 1bfy s GLU 51 Cb -0.13 -2.77 0.03 0.00 0.26 0.00 0.00 34.13 31.52 1bfy s GLU 51 CO 0.21 -0.01 0.13 0.08 -0.54 0.00 0.00 175.26 175.13 1bfy s VAL 52 N -1.48 4.03 -0.69 3.70 1.01 0.62 -4.69 120.40 122.90 1bfy s VAL 52 Ca 0.53 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 1bfy s VAL 52 Cb -0.25 -3.24 -0.14 0.00 0.00 0.00 0.00 36.38 32.75 1bfy s VAL 52 CO 0.32 -0.15 2.78 -1.84 0.00 0.00 0.00 175.10 176.21 1bfy n GLU 53 N 4.87 2.33 0.00 2.72 0.28 -1.26 -3.70 120.64 125.88 1bfy n GLU 53 Ca -0.13 -1.36 0.15 0.00 -0.16 0.00 0.00 57.16 55.66 1bfy n GLU 53 Cb 0.46 -2.29 0.70 0.00 1.43 0.00 0.00 31.44 31.73 1bfy n GLU 53 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36