#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 -3.23 -1.82 3.17 5.02 -1.26 -4.86 118.16 115.19 1bfy n LYS 2 Ca 0.00 2.45 -0.30 0.00 -2.02 0.00 0.00 58.31 58.45 1bfy n LYS 2 Cb 0.00 -3.84 0.08 0.00 -0.02 0.00 0.00 35.03 31.25 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 -3.47 2.29 -0.01 1.97 1.02 -1.23 -4.44 119.74 115.86 1bfy s LYS 3 Ca 0.00 0.34 -0.12 0.00 0.02 0.00 0.00 55.97 56.22 1bfy s LYS 3 Cb 0.00 -1.97 0.02 0.00 -0.52 0.00 0.00 37.83 35.36 1bfy s LYS 3 CO 0.00 -1.41 0.24 0.71 -0.92 0.00 0.00 175.35 173.97 1bfy s TYR 4 N -3.40 -0.11 0.94 3.18 1.51 -0.59 -0.44 117.35 118.45 1bfy s TYR 4 Ca 0.60 0.15 -0.13 0.00 -1.01 0.00 0.00 57.07 56.69 1bfy s TYR 4 Cb -0.12 0.04 0.16 0.00 -0.11 0.00 0.00 41.96 41.93 1bfy s TYR 4 CO 0.51 -0.34 1.14 0.95 -1.11 0.00 0.00 175.55 176.71 1bfy s THR 5 N -1.25 1.98 -0.15 -0.71 -4.23 0.93 -0.21 115.64 112.00 1bfy s THR 5 Ca -0.13 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.19 1bfy s THR 5 Cb -0.06 -2.72 -0.17 0.00 1.34 0.00 0.00 72.50 70.89 1bfy s THR 5 CO 0.03 0.00 0.39 0.00 -0.54 0.00 0.00 174.62 174.50 1bfy n THR 7 N -4.61 -0.26 0.03 0.00 -1.04 -1.26 -4.42 114.28 102.73 1bfy n THR 7 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1bfy n THR 7 Cb 0.40 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.75 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 -2.86 0.50 -0.07 12.58 0.31 -1.26 -4.99 118.33 122.54 1bfy n VAL 8 Ca -0.21 0.17 -0.06 0.00 -0.01 0.00 0.00 64.34 64.23 1bfy n VAL 8 Cb 0.66 -1.11 -0.02 0.00 -0.91 0.00 0.00 33.84 32.45 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 1.55 0.07 3.18 0.00 0.00 -1.26 -5.07 105.19 103.66 1bfy n GLY 10 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.06 3.45 -0.05 1.61 6.14 -1.26 -4.91 117.35 122.27 1bfy s TYR 11 Ca 0.00 -2.02 -0.30 0.00 0.64 0.00 0.00 57.07 55.39 1bfy s TYR 11 Cb 0.00 -2.96 -0.04 0.00 0.42 0.00 0.00 41.96 39.38 1bfy s TYR 11 CO 0.00 -0.91 1.34 0.42 0.64 0.00 0.00 175.55 177.05 1bfy s ILE 12 N 1.26 3.96 0.21 3.14 1.01 -1.26 -2.53 121.20 126.99 1bfy s ILE 12 Ca 0.04 1.28 -0.30 0.00 0.00 0.00 0.00 60.65 61.67 1bfy s ILE 12 Cb -0.22 -3.82 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 1bfy s ILE 12 CO -0.02 -0.03 0.96 -0.47 0.00 0.00 0.00 174.94 175.39 1bfy s TYR 13 N 2.71 3.90 -0.20 3.97 6.14 0.70 -4.93 117.35 129.64 1bfy s TYR 13 Ca 0.61 1.86 0.01 0.00 0.64 0.00 0.00 57.07 60.19 1bfy s TYR 13 Cb -0.28 -3.03 0.04 0.00 0.42 0.00 0.00 41.96 39.11 1bfy s TYR 13 CO 0.23 0.28 -0.10 1.21 0.64 0.00 0.00 175.55 177.81 1bfy s ASN 14 N -0.84 3.46 0.20 4.32 2.47 -1.26 -1.54 114.94 121.75 1bfy s ASN 14 Ca 0.43 -0.92 -0.08 0.00 0.42 0.00 0.00 52.86 52.71 1bfy s ASN 14 Cb -0.26 -1.25 0.12 0.00 -1.45 0.00 0.00 41.25 38.40 1bfy s ASN 14 CO 0.32 -0.15 1.67 1.55 -3.72 0.00 0.00 177.10 176.77 1bfy h PRO 15 N 7.96 1.04 -0.26 0.43 0.13 -1.80 0.32 132.00 139.83 1bfy h PRO 15 Ca -0.27 -0.32 0.04 0.00 -0.87 0.00 0.00 66.00 64.58 1bfy h PRO 15 Cb 1.09 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1bfy h PRO 15 CO 0.48 1.01 0.18 0.93 -0.23 0.00 0.00 178.00 180.36 1bfy h GLU 16 N 0.95 0.17 0.01 0.86 5.08 -1.92 0.49 114.58 120.23 1bfy h GLU 16 Ca 0.17 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.23 1bfy h GLU 16 Cb 0.54 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1bfy h GLU 16 CO 0.03 0.12 -1.65 -0.44 -1.00 0.00 0.00 179.01 176.07 1bfy h ASP 17 N 0.18 0.04 0.00 1.42 3.32 -1.82 -3.29 116.42 116.27 1bfy h ASP 17 Ca 0.11 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1bfy h ASP 17 Cb 0.22 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1bfy h ASP 17 CO -0.02 1.07 0.00 0.61 -1.72 0.00 0.00 179.24 179.18 1bfy n GLY 18 N 1.57 0.40 2.19 2.75 0.00 0.11 -3.90 105.19 108.31 1bfy n GLY 18 Ca -0.16 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 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 0.74 0.24 1.61 8.00 0.92 -4.60 116.55 121.14 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 -0.62 0.60 0.00 -0.02 0.00 0.00 41.12 41.08 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 3.12 0.00 0.00 -0.24 0.13 -1.13 0.89 132.00 134.77 1bfy h PRO 20 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1bfy h PRO 20 Cb 0.96 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 1bfy h PRO 20 CO 0.49 0.14 -0.07 -0.44 -0.23 0.00 0.00 178.00 177.90 1bfy h ASP 21 N 0.00 0.00 0.01 1.44 3.32 -1.94 -2.59 116.42 116.66 1bfy h ASP 21 Ca -0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 1bfy h ASP 21 Cb 0.28 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 1bfy h ASP 21 CO 0.02 0.07 -2.26 0.59 -1.72 0.00 0.00 179.24 175.94 1bfy n ASN 22 N -4.24 0.01 0.00 6.45 3.02 -0.14 -4.99 115.26 115.37 1bfy n ASN 22 Ca -0.03 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1bfy n ASN 22 Cb 0.15 1.29 0.00 0.00 -0.61 0.00 0.00 39.78 40.61 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 0.44 3.16 7.41 0.00 0.11 -5.00 105.19 112.91 1bfy n GLY 23 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.68 2.88 0.76 1.61 1.01 -0.10 -4.90 120.40 120.98 1bfy s VAL 24 Ca 0.00 -1.45 -0.14 0.00 0.00 0.00 0.00 61.98 60.40 1bfy s VAL 24 Cb 0.00 -2.67 0.06 0.00 0.00 0.00 0.00 36.38 33.76 1bfy s VAL 24 CO 0.00 -0.12 1.18 0.20 0.00 0.00 0.00 175.10 176.36 1bfy s ASN 25 N 1.24 4.09 0.62 3.32 0.01 -1.26 -0.06 114.94 122.91 1bfy s ASN 25 Ca -0.05 2.25 -0.19 0.00 -0.71 0.00 0.00 52.86 54.16 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 -0.02 -2.33 1.32 -2.16 -1.51 0.00 0.00 177.10 172.40 1bfy s PRO 26 N -4.13 2.68 -0.49 -0.60 0.04 -1.25 -2.51 135.00 128.74 1bfy s PRO 26 Ca 0.71 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1bfy s PRO 26 Cb -0.26 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1bfy s PRO 26 CO 0.48 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1bfy n GLY 27 N 0.87 0.72 3.61 0.56 0.00 0.16 -4.86 105.19 106.25 1bfy n GLY 27 Ca 0.15 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.06 4.86 0.31 2.61 2.01 -1.04 -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 62.81 1bfy s THR 28 Cb 0.00 -4.08 -0.12 0.00 0.01 0.00 0.00 72.50 68.31 1bfy s THR 28 CO 0.00 -0.18 1.52 -0.67 -0.69 0.00 0.00 174.62 174.60 1bfy n ASP 29 N 6.04 3.58 -0.36 3.53 -0.08 -1.26 -4.53 116.55 123.46 1bfy n ASP 29 Ca 0.02 1.17 0.27 0.00 -1.51 0.00 0.00 54.79 54.74 1bfy n ASP 29 Cb 0.48 -1.56 0.54 0.00 2.34 0.00 0.00 41.12 42.92 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 4.12 0.70 -0.51 -0.67 3.04 -1.89 0.27 116.94 122.00 1bfy h PHE 30 Ca -0.47 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.41 1bfy h PHE 30 Cb 1.24 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.54 1bfy h PHE 30 CO 0.56 -0.08 -0.07 1.57 -2.02 0.00 0.00 178.31 178.27 1bfy h LYS 31 N 0.29 0.92 0.00 1.11 2.10 -1.96 -2.91 116.57 116.11 1bfy h LYS 31 Ca 0.70 -0.30 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1bfy h LYS 31 Cb 1.87 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 33.12 1bfy h LYS 31 CO -0.42 0.95 0.00 -0.44 -2.00 0.00 0.00 179.45 177.54 1bfy h ASP 32 N 0.83 0.00 -2.50 7.07 3.32 -0.87 -3.45 116.42 120.83 1bfy h ASP 32 Ca 0.14 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.60 1bfy h ASP 32 Cb 0.59 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.21 1bfy h ASP 32 CO 0.04 0.00 0.59 -0.38 -1.72 0.00 0.00 179.24 177.77 1bfy n ILE 33 N -2.92 0.78 -2.03 0.35 5.41 -0.62 -4.91 119.36 115.42 1bfy n ILE 33 Ca 0.03 -0.20 -0.41 0.00 1.00 0.00 0.00 62.75 63.18 1bfy n ILE 33 Cb 0.42 -1.38 -0.02 0.00 -0.71 0.00 0.00 39.64 37.95 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 -0.20 4.29 0.08 0.38 0.04 -1.26 -4.88 135.00 133.44 1bfy s PRO 34 Ca 0.71 2.31 0.13 0.00 0.04 0.00 0.00 61.00 64.19 1bfy s PRO 34 Cb -0.69 -3.05 0.58 0.00 0.04 0.00 0.00 34.50 31.38 1bfy s PRO 34 CO 0.48 -0.29 1.41 -0.25 0.04 0.00 0.00 177.00 178.39 1bfy n ASP 35 N 0.82 0.18 0.25 6.66 9.92 -1.26 -0.79 116.55 132.32 1bfy n ASP 35 Ca 0.01 0.56 0.13 0.00 -0.53 0.00 0.00 54.79 54.95 1bfy n ASP 35 Cb 0.41 -0.59 0.54 0.00 -0.64 0.00 0.00 41.12 40.84 1bfy n ASP 35 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1bfy h ASP 36 N 0.00 0.00 -4.22 -2.24 3.32 -1.97 -3.46 116.42 107.85 1bfy h ASP 36 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1bfy h ASP 36 Cb 0.18 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.81 1bfy h ASP 36 CO 0.00 0.12 0.37 0.86 -1.72 0.00 0.00 179.24 178.87 1bfy s TRP 37 N -3.64 2.93 0.10 4.55 -0.00 0.03 -5.08 118.94 117.83 1bfy s TRP 37 Ca 0.01 1.51 0.02 0.00 -0.00 0.00 0.00 56.10 57.64 1bfy s TRP 37 Cb 0.09 -3.02 -0.04 0.00 -0.00 0.00 0.00 33.47 30.50 1bfy s TRP 37 CO 0.60 -1.26 -0.07 0.14 -0.00 0.00 0.00 176.95 176.37 1bfy s VAL 38 N -2.53 0.70 0.22 5.86 -7.23 -1.26 -4.59 120.40 111.56 1bfy s VAL 38 Ca 0.63 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.59 1bfy s VAL 38 Cb -0.17 -1.65 -0.09 0.00 0.56 0.00 0.00 36.38 35.03 1bfy s VAL 38 CO 0.41 -0.86 1.35 0.00 -0.31 0.00 0.00 175.10 175.69 1bfy s PRO 40 N -0.29 4.16 -1.20 0.00 0.04 -1.26 -2.85 135.00 133.61 1bfy s PRO 40 Ca 0.57 2.49 -0.03 0.00 0.04 0.00 0.00 61.00 64.07 1bfy s PRO 40 Cb -0.38 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1bfy s PRO 40 CO 0.40 -0.77 0.43 1.28 0.04 0.00 0.00 177.00 178.39 1bfy n LEU 41 N 5.25 -2.37 -3.73 -3.56 4.77 -1.26 -4.99 117.00 111.11 1bfy n LEU 41 Ca 0.16 -0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 55.84 1bfy n LEU 41 Cb 0.38 -2.38 -0.05 0.00 -2.33 0.00 0.00 43.42 39.04 1bfy n LEU 41 CO 0.64 0.16 0.09 0.00 -1.33 0.00 0.00 177.39 176.95 1bfy s GLY 43 N -2.84 1.73 0.02 0.00 0.00 -1.26 -4.60 107.32 100.36 1bfy s GLY 43 Ca 0.05 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.02 1bfy s GLY 43 CO -0.10 0.67 0.00 -0.62 0.00 0.00 0.00 173.10 173.05 1bfy n VAL 44 N 4.58 -2.23 -3.91 1.40 0.31 -1.26 -5.05 118.33 112.17 1bfy n VAL 44 Ca -0.13 0.19 -0.09 0.00 -0.01 0.00 0.00 64.34 64.30 1bfy n VAL 44 Cb 0.43 -1.86 -0.02 0.00 -0.91 0.00 0.00 33.84 31.48 1bfy n VAL 44 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1bfy s GLY 45 N -0.38 0.36 -0.63 2.92 0.00 -1.26 -4.59 107.32 103.73 1bfy s GLY 45 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 44.72 43.93 1bfy s GLY 45 CO 0.00 -0.38 0.65 1.17 0.00 0.00 0.00 173.10 174.54 1bfy n LYS 46 N -0.47 -1.74 0.01 2.90 4.81 -1.26 -4.63 118.16 117.78 1bfy n LYS 46 Ca -0.04 1.53 0.00 0.00 -0.87 0.00 0.00 58.31 58.93 1bfy n LYS 46 Cb 0.60 -4.63 0.00 0.00 0.02 0.00 0.00 35.03 31.02 1bfy n LYS 46 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1bfy n ASP 47 N -1.32 -0.10 -4.12 3.14 2.03 -1.26 -5.01 116.55 109.91 1bfy n ASP 47 Ca -0.04 0.03 -0.36 0.00 0.52 0.00 0.00 54.79 54.94 1bfy n ASP 47 Cb 0.55 0.40 -0.12 0.00 -0.72 0.00 0.00 41.12 41.22 1bfy n ASP 47 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1bfy s GLN 48 N -1.03 2.02 -0.02 -0.67 0.74 -1.26 -5.07 119.66 114.37 1bfy s GLN 48 Ca 0.00 -1.75 -0.00 0.00 0.05 0.00 0.00 55.36 53.66 1bfy s GLN 48 Cb 0.00 -3.51 0.02 0.00 1.10 0.00 0.00 33.01 30.62 1bfy s GLN 48 CO 0.00 -1.01 0.03 -0.59 -0.55 0.00 0.00 175.29 173.18 1bfy s PHE 49 N 1.14 0.01 0.11 1.67 -0.71 -1.26 -4.45 117.98 114.49 1bfy s PHE 49 Ca 0.07 0.13 -0.04 0.00 -1.04 0.00 0.00 56.93 56.05 1bfy s PHE 49 Cb -0.22 -0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.35 1bfy s PHE 49 CO -0.04 -0.08 0.33 -1.21 -1.34 0.00 0.00 175.22 172.88 1bfy s GLU 50 N 0.88 3.58 0.29 1.99 2.02 -1.26 -4.86 118.70 121.34 1bfy s GLU 50 Ca -0.07 -0.16 -0.29 0.00 0.02 0.00 0.00 54.97 54.47 1bfy s GLU 50 Cb -0.10 -2.92 -0.09 0.00 0.10 0.00 0.00 34.13 31.12 1bfy s GLU 50 CO -0.03 0.52 1.06 -2.00 0.02 0.00 0.00 175.26 174.83 1bfy s GLU 51 N -2.52 4.63 -0.39 1.61 2.12 -1.26 -0.05 118.70 122.84 1bfy s GLU 51 Ca 0.38 1.69 -0.09 0.00 0.36 0.00 0.00 54.97 57.31 1bfy s GLU 51 Cb -0.12 -3.12 0.05 0.00 0.26 0.00 0.00 34.13 31.20 1bfy s GLU 51 CO 0.24 0.23 0.21 0.08 -0.54 0.00 0.00 175.26 175.49 1bfy s VAL 52 N -1.24 4.24 -0.97 3.70 1.01 0.42 -4.80 120.40 122.77 1bfy s VAL 52 Ca 0.46 -1.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1bfy s VAL 52 Cb -0.29 -3.48 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 1bfy s VAL 52 CO 0.37 -0.35 2.80 -1.84 0.00 0.00 0.00 175.10 176.08 1bfy n GLU 53 N 4.92 2.70 0.00 2.72 0.28 -1.26 -3.53 120.64 126.46 1bfy n GLU 53 Ca -0.11 -1.61 0.14 0.00 -0.16 0.00 0.00 57.16 55.42 1bfy n GLU 53 Cb 0.44 -2.45 0.85 0.00 1.43 0.00 0.00 31.44 31.71 1bfy n GLU 53 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36