#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 -2.75 -1.23 3.17 5.02 -1.26 -4.92 118.16 116.19 1bfy n LYS 2 Ca 0.00 1.94 -0.29 0.00 -2.02 0.00 0.00 58.31 57.94 1bfy n LYS 2 Cb 0.00 -3.34 0.17 0.00 -0.02 0.00 0.00 35.03 31.84 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 -2.69 0.51 -0.08 1.97 1.02 -1.15 -4.43 119.74 114.89 1bfy s LYS 3 Ca 0.00 0.46 -0.10 0.00 0.02 0.00 0.00 55.97 56.35 1bfy s LYS 3 Cb 0.00 -1.75 0.02 0.00 -0.52 0.00 0.00 37.83 35.58 1bfy s LYS 3 CO 0.00 -2.67 0.27 0.71 -0.92 0.00 0.00 175.35 172.74 1bfy s TYR 4 N -3.02 -0.24 0.36 3.18 1.51 -0.42 -0.36 117.35 118.35 1bfy s TYR 4 Ca 0.65 0.56 -0.24 0.00 -1.01 0.00 0.00 57.07 57.03 1bfy s TYR 4 Cb -0.18 0.09 -0.10 0.00 -0.11 0.00 0.00 41.96 41.65 1bfy s TYR 4 CO 0.57 -0.20 0.95 0.99 -1.11 0.00 0.00 175.55 176.74 1bfy s THR 5 N -0.27 4.27 1.21 -0.71 2.01 0.75 -0.24 115.64 122.66 1bfy s THR 5 Ca -0.04 1.70 -0.18 0.00 0.31 0.00 0.00 61.69 63.48 1bfy s THR 5 Cb -0.03 -3.86 0.29 0.00 0.01 0.00 0.00 72.50 68.91 1bfy s THR 5 CO 0.01 -0.03 1.06 0.00 -0.69 0.00 0.00 174.62 174.98 1bfy n THR 7 N -4.86 0.00 0.14 0.00 -1.04 -1.26 -4.61 114.28 102.65 1bfy n THR 7 Ca 0.11 0.47 0.03 0.00 -2.04 0.00 0.00 64.05 62.61 1bfy n THR 7 Cb 0.59 -1.13 0.03 0.00 -1.82 0.00 0.00 70.33 68.00 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 -1.37 0.23 -0.56 12.58 0.31 -1.26 -5.02 118.33 123.25 1bfy n VAL 8 Ca 0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1bfy n VAL 8 Cb 0.00 0.96 0.00 0.00 -0.91 0.00 0.00 33.84 33.89 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 5.00 2.44 3.20 0.00 0.00 -1.26 -4.89 105.19 109.68 1bfy n GLY 10 Ca 0.00 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.25 1.08 -0.12 1.61 1.51 -1.26 -5.06 117.35 111.87 1bfy s TYR 11 Ca 0.31 -0.79 0.03 0.00 -1.01 0.00 0.00 57.07 55.62 1bfy s TYR 11 Cb 0.44 -0.58 0.00 0.00 -0.11 0.00 0.00 41.96 41.71 1bfy s TYR 11 CO -0.01 -0.02 -0.23 0.42 -1.11 0.00 0.00 175.55 174.61 1bfy s ILE 12 N -3.21 2.08 0.26 2.71 1.01 -1.26 -0.96 121.20 121.82 1bfy s ILE 12 Ca 0.12 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.48 1bfy s ILE 12 Cb 0.02 -1.81 -0.09 0.00 0.01 0.00 0.00 42.46 40.59 1bfy s ILE 12 CO -0.01 0.55 0.99 -0.47 0.00 0.00 0.00 174.94 176.00 1bfy s TYR 13 N 0.56 3.86 -0.22 3.97 6.14 0.66 -4.92 117.35 127.41 1bfy s TYR 13 Ca -0.13 1.85 0.01 0.00 0.64 0.00 0.00 57.07 59.44 1bfy s TYR 13 Cb -0.17 -3.06 0.05 0.00 0.42 0.00 0.00 41.96 39.20 1bfy s TYR 13 CO 0.04 0.16 -0.08 1.21 0.64 0.00 0.00 175.55 177.53 1bfy s ASN 14 N -1.12 3.70 0.21 4.32 2.47 -1.26 -1.30 114.94 121.97 1bfy s ASN 14 Ca 0.42 -1.07 -0.07 0.00 0.42 0.00 0.00 52.86 52.56 1bfy s ASN 14 Cb -0.27 -1.22 0.17 0.00 -1.45 0.00 0.00 41.25 38.47 1bfy s ASN 14 CO 0.34 -0.20 1.76 1.55 -3.72 0.00 0.00 177.10 176.84 1bfy h PRO 15 N 7.95 1.16 -0.36 0.43 0.13 -1.80 0.19 132.00 139.70 1bfy h PRO 15 Ca -0.22 -0.23 0.06 0.00 -0.87 0.00 0.00 66.00 64.73 1bfy h PRO 15 Cb 1.08 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 1bfy h PRO 15 CO 0.44 0.97 0.24 0.93 -0.23 0.00 0.00 178.00 180.35 1bfy h GLU 16 N 1.11 0.23 0.08 0.86 5.08 -1.92 0.47 114.58 120.49 1bfy h GLU 16 Ca 0.25 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.29 1bfy h GLU 16 Cb 0.28 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1bfy h GLU 16 CO -0.01 0.15 -1.64 -0.44 -1.00 0.00 0.00 179.01 176.07 1bfy h ASP 17 N 0.24 0.25 -0.18 1.42 3.32 -1.74 -3.31 116.42 116.42 1bfy h ASP 17 Ca 0.16 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1bfy h ASP 17 Cb 0.33 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1bfy h ASP 17 CO -0.03 1.37 0.00 0.61 -1.72 0.00 0.00 179.24 179.47 1bfy n GLY 18 N 1.68 0.57 2.20 2.75 0.00 0.59 -3.85 105.19 109.13 1bfy n GLY 18 Ca -0.18 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 1bfy n GLY 18 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bfy n ASP 19 N -3.08 0.45 0.19 1.61 5.75 0.10 -4.73 116.55 116.85 1bfy n ASP 19 Ca 0.00 -2.79 0.11 0.00 -0.01 0.00 0.00 54.79 52.10 1bfy n ASP 19 Cb 0.00 -0.64 0.65 0.00 -1.03 0.00 0.00 41.12 40.11 1bfy n ASP 19 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1bfy h PRO 20 N 3.76 0.00 -0.20 0.11 0.13 -1.04 0.13 132.00 134.89 1bfy h PRO 20 Ca 0.08 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1bfy h PRO 20 Cb 0.89 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1bfy h PRO 20 CO 0.48 0.00 0.12 -0.44 -0.23 0.00 0.00 178.00 177.93 1bfy h ASP 21 N 0.00 0.23 0.09 1.44 3.32 -1.94 -2.63 116.42 116.93 1bfy h ASP 21 Ca 0.07 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 1bfy h ASP 21 Cb 0.26 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1bfy h ASP 21 CO -0.00 0.17 -2.06 0.59 -1.72 0.00 0.00 179.24 176.23 1bfy n ASN 22 N -4.50 0.10 0.00 6.45 3.02 0.23 -4.98 115.26 115.59 1bfy n ASN 22 Ca -0.00 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1bfy n ASN 22 Cb 0.08 1.42 0.00 0.00 -0.61 0.00 0.00 39.78 40.67 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 1.45 -0.09 3.26 7.41 0.00 0.12 -4.92 105.19 112.43 1bfy n GLY 23 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.69 3.72 0.71 1.61 1.01 0.13 -4.88 120.40 122.00 1bfy s VAL 24 Ca 0.00 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 60.67 1bfy s VAL 24 Cb 0.00 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.30 1bfy s VAL 24 CO 0.00 -0.18 1.19 0.20 0.00 0.00 0.00 175.10 176.31 1bfy s ASN 25 N 1.40 4.43 0.56 3.32 0.01 -1.26 0.02 114.94 123.42 1bfy s ASN 25 Ca -0.02 2.29 -0.21 0.00 -0.71 0.00 0.00 52.86 54.21 1bfy s ASN 25 Cb -0.20 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 38.84 1bfy s ASN 25 CO 0.02 -2.10 1.31 -0.81 -1.51 0.00 0.00 177.10 174.01 1bfy n PRO 26 N -2.60 1.55 -1.12 -0.60 -0.04 -1.25 -2.77 135.00 128.17 1bfy n PRO 26 Ca 0.13 0.57 -0.04 0.00 -0.04 0.00 0.00 63.50 64.12 1bfy n PRO 26 Cb 0.51 -2.52 -0.02 0.00 -0.04 0.00 0.00 33.50 31.43 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 0.84 0.65 3.63 0.55 0.00 0.15 -4.86 105.19 106.15 1bfy n GLY 27 Ca 0.11 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.14 5.07 0.30 2.61 2.01 -1.12 -4.95 115.64 117.43 1bfy s THR 28 Ca 0.00 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 62.64 1bfy s THR 28 Cb 0.00 -3.84 -0.11 0.00 0.01 0.00 0.00 72.50 68.56 1bfy s THR 28 CO 0.00 0.11 1.48 -0.62 -0.69 0.00 0.00 174.62 174.90 1bfy s ASP 29 N 1.41 6.51 0.43 3.53 -1.08 -1.26 -4.55 116.67 121.66 1bfy s ASP 29 Ca 0.23 2.84 0.27 0.00 -0.52 0.00 0.00 52.55 55.37 1bfy s ASP 29 Cb -0.16 -2.64 1.33 0.00 -1.46 0.00 0.00 42.92 39.99 1bfy s ASP 29 CO 0.09 -0.78 1.68 0.15 0.52 0.00 0.00 175.17 176.83 1bfy h PHE 30 N 4.31 0.53 -0.34 -5.34 3.04 -1.92 0.32 116.94 117.55 1bfy h PHE 30 Ca -0.48 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.38 1bfy h PHE 30 Cb 1.22 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.58 1bfy h PHE 30 CO 0.58 -0.10 -0.25 1.57 -2.02 0.00 0.00 178.31 178.08 1bfy h LYS 31 N 0.18 0.68 0.00 1.11 2.10 -1.98 -2.98 116.57 115.68 1bfy h LYS 31 Ca 0.73 -0.28 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1bfy h LYS 31 Cb 2.22 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.52 1bfy h LYS 31 CO -0.35 0.87 -0.06 -0.44 -2.00 0.00 0.00 179.45 177.47 1bfy h ASP 32 N 0.59 0.00 -2.70 7.07 3.32 -0.76 -3.45 116.42 120.50 1bfy h ASP 32 Ca 0.08 -0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.54 1bfy h ASP 32 Cb 0.74 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.37 1bfy h ASP 32 CO 0.06 0.01 0.67 -0.38 -1.72 0.00 0.00 179.24 177.87 1bfy n ILE 33 N -2.56 0.84 -1.98 0.35 5.41 -0.60 -4.92 119.36 115.90 1bfy n ILE 33 Ca 0.05 -0.21 -0.41 0.00 1.00 0.00 0.00 62.75 63.18 1bfy n ILE 33 Cb 0.47 -1.54 -0.02 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 -0.26 4.25 0.16 0.38 0.04 -1.26 -4.89 135.00 133.42 1bfy s PRO 34 Ca 0.69 2.36 0.17 0.00 0.04 0.00 0.00 61.00 64.25 1bfy s PRO 34 Cb -0.63 -3.05 0.75 0.00 0.04 0.00 0.00 34.50 31.61 1bfy s PRO 34 CO 0.48 -0.37 1.51 -0.25 0.04 0.00 0.00 177.00 178.41 1bfy n ASP 35 N 1.23 0.35 0.27 6.66 9.92 -1.26 -0.86 116.55 132.87 1bfy n ASP 35 Ca 0.03 0.61 0.18 0.00 -0.53 0.00 0.00 54.79 55.08 1bfy n ASP 35 Cb 0.40 -0.68 0.73 0.00 -0.64 0.00 0.00 41.12 40.93 1bfy n ASP 35 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1bfy h ASP 36 N 0.00 0.00 -4.23 -2.24 3.58 -2.02 -3.43 116.42 108.07 1bfy h ASP 36 Ca 0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 1bfy h ASP 36 Cb 0.19 0.00 0.14 0.00 1.72 0.00 0.00 39.33 41.38 1bfy h ASP 36 CO 0.00 0.00 0.34 0.86 -2.88 0.00 0.00 179.24 177.56 1bfy s TRP 37 N -3.69 2.30 0.07 0.28 -0.00 -0.04 -5.07 118.94 112.80 1bfy s TRP 37 Ca 0.01 1.60 0.06 0.00 -0.00 0.00 0.00 56.10 57.77 1bfy s TRP 37 Cb 0.09 -3.25 -0.03 0.00 -0.00 0.00 0.00 33.47 30.28 1bfy s TRP 37 CO 0.52 -2.14 -0.15 0.14 -0.00 0.00 0.00 176.95 175.32 1bfy s VAL 38 N -2.41 1.20 0.25 5.86 -7.23 -1.26 -4.16 120.40 112.63 1bfy s VAL 38 Ca 0.68 -1.33 -0.30 0.00 -1.81 0.00 0.00 61.98 59.23 1bfy s VAL 38 Cb -0.22 -1.14 -0.09 0.00 0.56 0.00 0.00 36.38 35.49 1bfy s VAL 38 CO 0.48 -0.19 1.13 0.00 -0.31 0.00 0.00 175.10 176.21 1bfy n PRO 40 N 1.60 1.77 -1.02 0.00 -0.04 -1.26 -0.66 135.00 135.39 1bfy n PRO 40 Ca 0.01 0.51 -0.01 0.00 -0.04 0.00 0.00 63.50 63.97 1bfy n PRO 40 Cb 0.45 -2.94 -0.00 0.00 -0.04 0.00 0.00 33.50 30.96 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 10.48 -0.03 -3.38 1.53 4.77 -1.26 -5.01 117.00 124.10 1bfy n LEU 41 Ca 0.32 0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 56.16 1bfy n LEU 41 Cb 0.37 -0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 40.77 1bfy n LEU 41 CO 0.70 -0.05 -0.16 0.00 -1.33 0.00 0.00 177.39 176.55 1bfy n GLY 43 N 5.28 3.18 0.00 0.00 0.00 -1.26 -2.06 105.19 110.33 1bfy n GLY 43 Ca -0.01 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 2.88 0.00 0.00 1.61 0.31 -1.26 -5.02 118.33 116.85 1bfy n VAL 44 Ca 0.49 0.44 0.00 0.00 -0.01 0.00 0.00 64.34 65.26 1bfy n VAL 44 Cb 0.66 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 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 1.63 0.65 3.93 2.92 0.00 -1.26 -4.94 105.19 108.12 1bfy n GLY 45 Ca 0.00 -2.14 -0.25 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.77 2.41 0.00 1.61 1.02 -1.26 -4.58 119.74 118.17 1bfy s LYS 46 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.73 1bfy s LYS 46 Cb 0.00 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1bfy s LYS 46 CO 0.00 -1.04 0.00 -0.25 -0.92 0.00 0.00 175.35 173.14 1bfy n ASP 47 N -2.77 0.00 -0.14 2.83 8.00 -1.26 -5.03 116.55 118.18 1bfy n ASP 47 Ca 0.07 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.28 1bfy n ASP 47 Cb 0.60 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.60 1bfy n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bfy n GLN 48 N -0.64 0.59 -2.94 -1.24 1.13 -1.26 -5.09 117.38 107.93 1bfy n GLN 48 Ca 0.00 0.27 -0.01 0.00 -1.94 0.00 0.00 57.00 55.32 1bfy n GLN 48 Cb 0.00 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.84 1bfy n GLN 48 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 1bfy n PHE 49 N -4.23 -1.94 -2.48 1.08 -1.74 -1.26 -4.93 117.46 101.96 1bfy n PHE 49 Ca -0.54 0.93 -0.41 0.00 -0.56 0.00 0.00 57.45 56.88 1bfy n PHE 49 Cb 0.88 -2.41 -0.04 0.00 1.52 0.00 0.00 39.48 39.43 1bfy n PHE 49 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1bfy s GLU 50 N -1.06 4.59 0.15 3.97 2.02 -1.24 -4.80 118.70 122.33 1bfy s GLU 50 Ca -0.03 1.78 -0.30 0.00 0.02 0.00 0.00 54.97 56.43 1bfy s GLU 50 Cb 0.00 -3.24 -0.07 0.00 0.10 0.00 0.00 34.13 30.92 1bfy s GLU 50 CO 0.37 0.10 1.10 -2.00 0.02 0.00 0.00 175.26 174.84 1bfy s GLU 51 N -0.75 4.58 -0.32 1.61 2.12 -1.26 -0.18 118.70 124.50 1bfy s GLU 51 Ca 0.48 1.69 -0.12 0.00 0.36 0.00 0.00 54.97 57.38 1bfy s GLU 51 Cb -0.31 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 1bfy s GLU 51 CO 0.37 0.04 0.20 0.08 -0.54 0.00 0.00 175.26 175.42 1bfy s VAL 52 N -0.01 5.06 -0.48 3.70 1.01 0.51 -4.84 120.40 125.34 1bfy s VAL 52 Ca 0.50 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 1bfy s VAL 52 Cb -0.29 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 1bfy s VAL 52 CO 0.33 0.05 2.12 -1.84 0.00 0.00 0.00 175.10 175.76 1bfy n GLU 53 N 5.06 1.59 0.00 2.72 0.28 -1.26 -2.92 120.64 126.10 1bfy n GLU 53 Ca -0.13 -1.02 0.04 0.00 -0.16 0.00 0.00 57.16 55.89 1bfy n GLU 53 Cb 0.50 -2.13 0.03 0.00 1.43 0.00 0.00 31.44 31.27 1bfy n GLU 53 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36