#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 1.91 -1.66 2.12 5.02 -1.26 -4.61 118.16 119.68 1bfy n LYS 2 Ca 0.00 0.69 -0.29 0.00 -2.02 0.00 0.00 58.31 56.69 1bfy n LYS 2 Cb 0.00 -2.60 0.16 0.00 -0.02 0.00 0.00 35.03 32.57 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 -2.72 0.68 -0.05 1.97 1.02 -1.21 -4.54 119.74 114.90 1bfy s LYS 3 Ca 0.68 -0.06 -0.11 0.00 0.02 0.00 0.00 55.97 56.50 1bfy s LYS 3 Cb -0.43 -1.82 0.02 0.00 -0.52 0.00 0.00 37.83 35.08 1bfy s LYS 3 CO 0.52 -2.44 0.25 0.71 -0.92 0.00 0.00 175.35 173.47 1bfy s TYR 4 N -3.51 -0.18 0.31 3.18 1.51 -0.36 -0.19 117.35 118.11 1bfy s TYR 4 Ca 0.68 0.37 -0.28 0.00 -1.01 0.00 0.00 57.07 56.83 1bfy s TYR 4 Cb -0.09 0.06 -0.09 0.00 -0.11 0.00 0.00 41.96 41.73 1bfy s TYR 4 CO 0.53 -0.26 1.07 0.99 -1.11 0.00 0.00 175.55 176.78 1bfy s THR 5 N -0.70 3.59 0.00 -0.71 2.01 0.86 -0.04 115.64 120.64 1bfy s THR 5 Ca -0.08 1.49 0.00 0.00 0.31 0.00 0.00 61.69 63.41 1bfy s THR 5 Cb -0.04 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.56 1bfy s THR 5 CO 0.02 0.28 0.00 0.00 -0.69 0.00 0.00 174.62 174.23 1bfy n THR 7 N 0.00 0.00 -0.92 0.00 5.66 -1.26 -4.77 114.28 112.99 1bfy n THR 7 Ca 0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 1bfy n THR 7 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1bfy n THR 7 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1bfy n VAL 8 N 0.00 2.98 0.13 1.08 0.24 -1.26 -3.21 118.33 118.28 1bfy n VAL 8 Ca 0.00 -1.71 0.00 0.00 -2.04 0.00 0.00 64.34 60.59 1bfy n VAL 8 Cb 0.00 -2.20 0.00 0.00 -1.47 0.00 0.00 33.84 30.17 1bfy n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bfy n GLY 10 N -0.48 2.19 3.28 0.00 0.00 -1.20 -4.92 105.19 104.06 1bfy n GLY 10 Ca 0.00 -1.90 -0.16 0.00 0.00 0.00 0.00 46.02 43.97 1bfy n GLY 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bfy s TYR 11 N 2.88 1.41 -0.09 1.61 5.04 -1.26 -4.80 117.35 122.14 1bfy s TYR 11 Ca 0.00 -0.72 -0.39 0.00 -2.44 0.00 0.00 57.07 53.52 1bfy s TYR 11 Cb 0.00 -0.71 -0.16 0.00 0.35 0.00 0.00 41.96 41.44 1bfy s TYR 11 CO 0.00 0.15 1.52 -0.89 -1.34 0.00 0.00 175.55 174.99 1bfy n ILE 12 N -0.27 0.14 -2.26 3.14 5.41 -1.26 -4.09 119.36 120.18 1bfy n ILE 12 Ca -0.09 -0.03 -0.41 0.00 1.00 0.00 0.00 62.75 63.22 1bfy n ILE 12 Cb 0.61 -0.97 -0.03 0.00 -0.71 0.00 0.00 39.64 38.53 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 1.90 3.28 -0.24 1.39 6.14 0.94 -4.88 117.35 125.89 1bfy s TYR 13 Ca 0.91 1.37 0.02 0.00 0.64 0.00 0.00 57.07 60.01 1bfy s TYR 13 Cb -1.03 -3.55 0.05 0.00 0.42 0.00 0.00 41.96 37.86 1bfy s TYR 13 CO 0.56 -1.57 -0.14 1.21 0.64 0.00 0.00 175.55 176.25 1bfy s ASN 14 N -0.06 4.05 0.24 4.32 3.84 -1.26 -1.22 114.94 124.84 1bfy s ASN 14 Ca 0.52 -1.17 -0.04 0.00 0.21 0.00 0.00 52.86 52.38 1bfy s ASN 14 Cb -0.36 -1.53 0.26 0.00 -0.55 0.00 0.00 41.25 39.08 1bfy s ASN 14 CO 0.42 -0.13 1.75 1.55 -2.79 0.00 0.00 177.10 177.90 1bfy h PRO 15 N 7.82 0.93 0.00 0.43 0.13 -1.80 0.27 132.00 139.79 1bfy h PRO 15 Ca -0.27 -0.23 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1bfy h PRO 15 Cb 1.07 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 1bfy h PRO 15 CO 0.51 0.87 -0.14 0.93 -0.23 0.00 0.00 178.00 179.95 1bfy h GLU 16 N 0.88 0.00 0.05 0.86 5.08 -1.87 0.53 114.58 120.12 1bfy h GLU 16 Ca 0.18 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.25 1bfy h GLU 16 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1bfy h GLU 16 CO 0.01 0.14 -1.55 -0.44 -1.00 0.00 0.00 179.01 176.16 1bfy h ASP 17 N 0.00 0.17 0.00 1.42 3.32 -1.83 -3.33 116.42 116.17 1bfy h ASP 17 Ca -0.00 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1bfy h ASP 17 Cb 0.26 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1bfy h ASP 17 CO 0.02 1.24 0.00 0.61 -1.72 0.00 0.00 179.24 179.39 1bfy n GLY 18 N 1.60 0.45 2.20 2.75 0.00 0.91 -3.86 105.19 109.23 1bfy n GLY 18 Ca -0.15 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.32 0.68 0.24 1.61 8.00 0.94 -4.64 116.55 121.06 1bfy n ASP 19 Ca 0.00 -2.97 0.08 0.00 0.71 0.00 0.00 54.79 52.61 1bfy n ASP 19 Cb 0.00 -0.59 0.58 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.00 -0.02 -0.24 0.13 -1.14 0.14 132.00 134.03 1bfy h PRO 20 Ca 0.09 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.18 1bfy h PRO 20 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1bfy h PRO 20 CO 0.49 0.17 -0.20 -0.44 -0.23 0.00 0.00 178.00 177.79 1bfy h ASP 21 N 0.00 0.03 0.33 1.44 3.32 -1.94 -2.62 116.42 116.97 1bfy h ASP 21 Ca -0.00 -0.01 -0.32 0.00 0.02 0.00 0.00 57.03 56.72 1bfy h ASP 21 Cb 0.34 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 1bfy h ASP 21 CO 0.02 0.23 -1.92 0.59 -1.72 0.00 0.00 179.24 176.44 1bfy n ASN 22 N -4.29 0.76 0.00 6.45 3.02 -0.31 -4.99 115.26 115.90 1bfy n ASN 22 Ca -0.02 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1bfy n ASN 22 Cb 0.27 0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 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 1.65 -0.79 3.42 7.41 0.00 0.26 -4.97 105.19 112.17 1bfy n GLY 23 Ca -0.23 0.00 -0.40 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 -0.18 4.73 0.72 1.61 1.01 0.06 -4.87 120.40 123.48 1bfy s VAL 24 Ca 0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 1bfy s VAL 24 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.85 1bfy s VAL 24 CO 0.00 -0.14 1.17 0.20 0.00 0.00 0.00 175.10 176.33 1bfy s ASN 25 N 1.60 4.39 0.64 3.32 0.01 -1.26 -0.04 114.94 123.60 1bfy s ASN 25 Ca 0.03 2.23 -0.18 0.00 -0.71 0.00 0.00 52.86 54.24 1bfy s ASN 25 Cb -0.18 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 38.88 1bfy s ASN 25 CO 0.07 -2.13 1.21 -0.81 -1.51 0.00 0.00 177.10 173.94 1bfy n PRO 26 N -2.74 1.05 -1.01 -0.60 -0.04 -1.25 -3.01 135.00 127.39 1bfy n PRO 26 Ca 0.12 0.41 -0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1bfy n PRO 26 Cb 0.51 -2.45 -0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 1.01 0.46 3.55 0.55 0.00 0.17 -4.86 105.19 106.07 1bfy n GLY 27 Ca 0.15 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 5.04 0.26 2.61 2.01 -1.17 -4.93 115.64 117.48 1bfy s THR 28 Ca 0.00 0.26 -0.31 0.00 0.31 0.00 0.00 61.69 61.96 1bfy s THR 28 Cb 0.00 -3.94 -0.13 0.00 0.01 0.00 0.00 72.50 68.44 1bfy s THR 28 CO 0.00 -0.21 1.46 -0.67 -0.69 0.00 0.00 174.62 174.52 1bfy n ASP 29 N 5.68 3.12 -0.45 3.53 -0.08 -1.26 -4.49 116.55 122.60 1bfy n ASP 29 Ca -0.06 1.15 0.37 0.00 -1.51 0.00 0.00 54.79 54.74 1bfy n ASP 29 Cb 0.49 -1.49 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 4.28 0.48 -0.41 -0.67 3.04 -1.96 0.29 116.94 121.99 1bfy h PHE 30 Ca -0.46 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.39 1bfy h PHE 30 Cb 1.26 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.64 1bfy h PHE 30 CO 0.57 -0.17 -0.25 1.57 -2.02 0.00 0.00 178.31 178.01 1bfy h LYS 31 N 0.10 0.86 0.00 1.11 2.10 -2.00 -3.02 116.57 115.71 1bfy h LYS 31 Ca 0.80 -0.37 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 1bfy h LYS 31 Cb 2.57 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.87 1bfy h LYS 31 CO -0.37 1.01 0.00 -0.44 -2.00 0.00 0.00 179.45 177.65 1bfy h ASP 32 N 0.73 0.00 -2.44 7.07 3.32 -0.82 -3.45 116.42 120.84 1bfy h ASP 32 Ca 0.09 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.56 1bfy h ASP 32 Cb 0.80 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.42 1bfy h ASP 32 CO 0.07 0.00 0.71 -0.38 -1.72 0.00 0.00 179.24 177.92 1bfy n ILE 33 N -2.60 0.40 -1.71 0.35 5.41 -0.75 -4.90 119.36 115.56 1bfy n ILE 33 Ca 0.04 -0.10 -0.43 0.00 1.00 0.00 0.00 62.75 63.26 1bfy n ILE 33 Cb 0.43 -1.50 -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 -2.65 0.00 0.00 0.00 176.55 173.90 1bfy n PRO 34 N 2.80 2.43 0.00 0.38 -0.02 -1.26 -4.87 135.00 134.46 1bfy n PRO 34 Ca 0.15 0.87 0.11 0.00 -2.02 0.00 0.00 63.50 62.60 1bfy n PRO 34 Cb 0.30 -2.60 0.51 0.00 -0.02 0.00 0.00 33.50 31.69 1bfy n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bfy n ASP 35 N 2.25 0.00 0.01 2.55 9.92 -1.26 -0.71 116.55 129.31 1bfy n ASP 35 Ca 0.10 0.18 0.12 0.00 -0.53 0.00 0.00 54.79 54.66 1bfy n ASP 35 Cb 0.34 -0.37 0.53 0.00 -0.64 0.00 0.00 41.12 40.99 1bfy n ASP 35 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1bfy n ASP 36 N -1.37 0.04 -4.75 -2.24 5.75 -1.26 -4.70 116.55 108.02 1bfy n ASP 36 Ca 0.08 0.50 -0.33 0.00 -0.01 0.00 0.00 54.79 55.04 1bfy n ASP 36 Cb 0.20 -0.51 0.08 0.00 -1.03 0.00 0.00 41.12 39.86 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 -3.01 2.36 0.17 2.11 -0.00 0.12 -5.06 118.94 115.62 1bfy s TRP 37 Ca 0.12 1.59 0.09 0.00 -0.00 0.00 0.00 56.10 57.90 1bfy s TRP 37 Cb 0.16 -3.24 -0.04 0.00 -0.00 0.00 0.00 33.47 30.35 1bfy s TRP 37 CO 0.47 -2.06 -0.20 0.54 -0.00 0.00 0.00 176.95 175.70 1bfy s VAL 38 N -2.40 1.93 0.33 5.86 0.11 -1.26 -4.17 120.40 120.80 1bfy s VAL 38 Ca 0.68 -1.91 -0.14 0.00 -2.93 0.00 0.00 61.98 57.67 1bfy s VAL 38 Cb -0.22 -1.88 -0.11 0.00 -1.53 0.00 0.00 36.38 32.63 1bfy s VAL 38 CO 0.47 -0.25 -0.02 0.00 -3.33 0.00 0.00 175.10 171.97 1bfy h PRO 40 N 0.11 0.54 -0.04 0.00 0.13 -1.93 -3.35 132.00 127.45 1bfy h PRO 40 Ca -0.28 -0.62 -0.13 0.00 -0.87 0.00 0.00 66.00 64.10 1bfy h PRO 40 Cb 1.06 0.18 -0.25 0.00 0.13 0.00 0.00 31.00 32.12 1bfy h PRO 40 CO 0.32 1.24 -0.84 1.28 -0.23 0.00 0.00 178.00 179.76 1bfy n LEU 41 N -3.78 1.74 0.00 1.56 4.77 -1.26 -4.95 117.00 115.09 1bfy n LEU 41 Ca -0.09 -2.80 -0.05 0.00 -0.03 0.00 0.00 56.01 53.03 1bfy n LEU 41 Cb 0.89 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.80 1bfy n LEU 41 CO 0.54 0.89 0.11 0.00 -1.33 0.00 0.00 177.39 177.61 1bfy n GLY 43 N -0.23 3.91 3.19 0.00 0.00 -1.26 -4.33 105.19 106.48 1bfy n GLY 43 Ca -0.01 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.14 0.90 0.50 1.61 1.01 -1.26 -4.95 120.40 115.06 1bfy s VAL 44 Ca 0.41 -1.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.41 1bfy s VAL 44 Cb 0.35 -1.64 0.12 0.00 0.00 0.00 0.00 36.38 35.21 1bfy s VAL 44 CO -0.08 -0.75 0.56 0.61 0.00 0.00 0.00 175.10 175.44 1bfy n GLY 45 N 0.07 -1.88 0.25 4.51 0.00 -1.26 -0.44 105.19 106.45 1bfy n GLY 45 Ca -0.13 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 1bfy n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bfy h LYS 46 N 0.00 -0.56 0.00 1.61 1.57 -1.84 -3.42 116.57 113.93 1bfy h LYS 46 Ca -0.19 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1bfy h LYS 46 Cb 0.56 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1bfy h LYS 46 CO 0.13 -0.37 0.00 -0.25 -0.57 0.00 0.00 179.45 178.39 1bfy n ASP 47 N -4.99 0.00 -3.91 0.86 8.00 -1.26 -4.43 116.55 110.82 1bfy n ASP 47 Ca -0.07 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.30 1bfy n ASP 47 Cb 0.23 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.19 1bfy n ASP 47 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1bfy s GLN 48 N 0.00 0.17 -0.28 -1.24 -0.21 -1.26 -5.14 119.66 111.70 1bfy s GLN 48 Ca 0.00 -0.10 -0.02 0.00 0.02 0.00 0.00 55.36 55.26 1bfy s GLN 48 Cb 0.00 -0.15 0.17 0.00 1.00 0.00 0.00 33.01 34.02 1bfy s GLN 48 CO 0.00 0.04 0.51 -0.59 -2.12 0.00 0.00 175.29 173.13 1bfy s PHE 49 N -0.11 -1.27 0.00 0.91 -0.71 -1.26 -4.91 117.98 110.62 1bfy s PHE 49 Ca 0.00 1.35 -0.23 0.00 -1.04 0.00 0.00 56.93 57.01 1bfy s PHE 49 Cb -0.01 0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 42.09 1bfy s PHE 49 CO -0.00 -0.81 0.70 -1.21 -1.34 0.00 0.00 175.22 172.57 1bfy s GLU 50 N 2.73 4.43 0.21 1.99 2.02 -1.25 -4.88 118.70 123.95 1bfy s GLU 50 Ca 0.17 0.93 -0.30 0.00 0.02 0.00 0.00 54.97 55.80 1bfy s GLU 50 Cb -0.15 -3.38 -0.09 0.00 0.10 0.00 0.00 34.13 30.61 1bfy s GLU 50 CO -0.19 0.25 1.23 -2.00 0.02 0.00 0.00 175.26 174.57 1bfy s GLU 51 N 0.14 4.46 -0.42 1.61 2.12 -1.26 -0.10 118.70 125.26 1bfy s GLU 51 Ca 0.36 1.95 -0.17 0.00 0.36 0.00 0.00 54.97 57.47 1bfy s GLU 51 Cb -0.19 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.01 1bfy s GLU 51 CO 0.20 -0.12 0.40 0.08 -0.54 0.00 0.00 175.26 175.28 1bfy s VAL 52 N -0.19 5.14 -1.03 3.70 1.01 0.73 -4.84 120.40 124.92 1bfy s VAL 52 Ca 0.53 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 1bfy s VAL 52 Cb -0.34 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 1bfy s VAL 52 CO 0.39 -0.39 2.25 -1.84 0.00 0.00 0.00 175.10 175.50 1bfy n GLU 53 N 5.47 2.35 0.00 2.72 0.28 -1.26 -3.29 120.64 126.91 1bfy n GLU 53 Ca -0.08 -1.59 0.15 0.00 -0.16 0.00 0.00 57.16 55.48 1bfy n GLU 53 Cb 0.47 -2.52 0.89 0.00 1.43 0.00 0.00 31.44 31.72 1bfy n GLU 53 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36