#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 s THR 2 N 0.00 3.32 0.05 9.51 -4.23 -1.26 -5.15 115.64 117.89 3ag4 s THR 2 Ca 0.00 -1.82 -0.07 0.00 -1.18 0.00 0.00 61.69 58.62 3ag4 s THR 2 Cb 0.00 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 3ag4 s THR 2 CO 0.00 -0.27 0.15 0.00 -0.54 0.00 0.00 174.62 173.96 3ag4 s ALA 3 N -2.08 -0.17 0.78 3.99 0.00 -1.26 -5.16 121.76 117.87 3ag4 s ALA 3 Ca 0.29 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 3ag4 s ALA 3 Cb -0.07 0.32 0.07 0.00 0.00 0.00 0.00 23.12 23.43 3ag4 s ALA 3 CO 0.18 -0.38 1.13 0.15 0.00 0.00 0.00 175.76 176.83 3ag4 s LYS 4 N -2.98 2.02 0.70 0.00 1.02 -1.26 -4.99 119.74 114.25 3ag4 s LYS 4 Ca -0.02 1.39 -0.15 0.00 0.02 0.00 0.00 55.97 57.21 3ag4 s LYS 4 Cb 0.01 -1.85 0.02 0.00 -0.52 0.00 0.00 37.83 35.49 3ag4 s LYS 4 CO -0.06 -1.85 1.17 -2.14 -0.92 0.00 0.00 175.35 171.54 3ag4 s PRO 5 N -4.54 2.42 -0.14 -1.68 0.02 -1.26 -4.86 135.00 124.95 3ag4 s PRO 5 Ca 0.66 1.63 -0.38 0.00 0.02 0.00 0.00 61.00 62.93 3ag4 s PRO 5 Cb -0.21 -1.88 -0.15 0.00 0.02 0.00 0.00 34.50 32.28 3ag4 s PRO 5 CO 0.52 -1.59 1.71 0.00 -0.33 0.00 0.00 177.00 177.31 3ag4 n ALA 6 N -2.55 0.11 -0.31 -1.55 0.00 -1.26 -4.85 120.51 110.09 3ag4 n ALA 6 Ca 0.12 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.90 3ag4 n ALA 6 Cb 0.51 -2.29 0.09 0.00 0.00 0.00 0.00 19.45 17.76 3ag4 n ALA 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ag4 h LYS 7 N 7.30 1.22 -2.09 0.00 1.57 -2.04 -3.33 116.57 119.20 3ag4 h LYS 7 Ca -0.47 -0.16 -0.57 0.00 -1.87 0.00 0.00 60.65 57.57 3ag4 h LYS 7 Cb 1.30 -0.23 -0.40 0.00 0.08 0.00 0.00 32.23 32.98 3ag4 h LYS 7 CO 0.93 0.92 -0.90 0.25 -0.57 0.00 0.00 179.45 180.08 3ag4 n THR 8 N -4.32 0.69 -1.46 -0.16 -2.24 -1.26 -5.12 114.28 100.42 3ag4 n THR 8 Ca 0.09 -4.59 -0.40 0.00 -2.27 0.00 0.00 64.05 56.87 3ag4 n THR 8 Cb 0.12 -1.86 0.02 0.00 -2.10 0.00 0.00 70.33 66.51 3ag4 n THR 8 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3ag4 n PRO 9 N 1.03 0.56 -3.88 -0.78 -0.02 -1.25 -4.95 135.00 125.71 3ag4 n PRO 9 Ca 0.25 0.21 -0.34 0.00 -2.02 0.00 0.00 63.50 61.60 3ag4 n PRO 9 Cb 0.49 -1.58 -0.13 0.00 -0.02 0.00 0.00 33.50 32.25 3ag4 n PRO 9 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ag4 s THR 10 N -1.59 2.86 0.99 3.45 2.01 -1.26 -5.09 115.64 117.01 3ag4 s THR 10 Ca 0.65 -2.23 -0.11 0.00 0.31 0.00 0.00 61.69 60.31 3ag4 s THR 10 Cb -0.53 -3.01 0.19 0.00 0.01 0.00 0.00 72.50 69.15 3ag4 s THR 10 CO 0.57 -0.66 1.11 -0.94 -0.69 0.00 0.00 174.62 174.01 3ag4 s SER 11 N 1.36 2.35 0.41 3.53 1.04 -1.26 -4.67 113.70 116.45 3ag4 s SER 11 Ca 0.10 2.02 0.13 0.00 0.48 0.00 0.00 55.95 58.68 3ag4 s SER 11 Cb -0.21 -2.51 0.97 0.00 0.10 0.00 0.00 66.02 64.37 3ag4 s SER 11 CO -0.06 -3.44 1.92 -0.65 0.98 0.00 0.00 173.24 172.00 3ag4 h PRO 12 N -2.10 0.49 -0.01 4.02 0.11 -1.99 0.29 132.00 132.82 3ag4 h PRO 12 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ag4 h PRO 12 Cb 1.29 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ag4 h PRO 12 CO 0.44 0.33 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.32 3ag4 h LYS 13 N 0.51 -0.01 -0.88 1.05 3.11 -2.00 -0.09 116.57 118.27 3ag4 h LYS 13 Ca 0.37 0.00 0.09 0.00 -2.81 0.00 0.00 60.65 58.29 3ag4 h LYS 13 Cb 0.72 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.88 3ag4 h LYS 13 CO -0.13 -0.01 0.53 0.93 -2.81 0.00 0.00 179.45 177.96 3ag4 h GLU 14 N -0.01 0.88 -0.24 1.90 5.08 -1.48 -2.18 114.58 118.53 3ag4 h GLU 14 Ca 0.01 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 3ag4 h GLU 14 Cb 0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3ag4 h GLU 14 CO -0.02 0.58 -0.46 1.96 -1.00 0.00 0.00 179.01 180.08 3ag4 h GLN 15 N 0.91 0.61 -0.51 2.33 4.20 0.04 -1.54 115.11 121.15 3ag4 h GLN 15 Ca 0.41 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.81 3ag4 h GLN 15 Cb 0.31 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 3ag4 h GLN 15 CO -0.22 0.94 0.28 0.00 -0.67 0.00 0.00 178.83 179.16 3ag4 h ALA 16 N 1.00 0.65 0.47 3.87 0.00 -0.73 -1.09 119.26 123.44 3ag4 h ALA 16 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ag4 h ALA 16 Cb 0.99 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ag4 h ALA 16 CO 0.09 -0.05 -0.23 0.82 0.00 0.00 0.00 179.25 179.89 3ag4 h ILE 17 N 0.55 0.00 -0.90 0.00 2.04 -1.04 -0.01 117.51 118.16 3ag4 h ILE 17 Ca 0.21 -0.05 0.10 0.00 1.00 0.00 0.00 64.86 66.12 3ag4 h ILE 17 Cb 0.08 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.04 3ag4 h ILE 17 CO -0.13 0.00 -0.48 0.61 0.00 0.00 0.00 178.15 178.15 3ag4 n GLY 18 N -1.05 -2.21 0.47 5.37 0.00 -0.61 0.42 105.19 107.57 3ag4 n GLY 18 Ca -0.08 1.05 -0.17 0.00 0.00 0.00 0.00 46.02 46.82 3ag4 n GLY 18 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ag4 h LEU 19 N 0.00 -1.35 -0.55 0.99 5.85 -1.23 0.31 115.31 119.33 3ag4 h LEU 19 Ca 0.19 0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.13 3ag4 h LEU 19 Cb 0.41 0.46 -0.11 0.00 0.37 0.00 0.00 40.66 41.79 3ag4 h LEU 19 CO -0.86 -0.62 -0.15 0.28 -0.34 0.00 0.00 178.44 176.76 3ag4 h SER 20 N -0.92 -0.54 -0.88 1.25 0.02 -0.40 0.47 113.55 112.55 3ag4 h SER 20 Ca -0.05 0.17 0.07 0.00 -0.84 0.00 0.00 61.79 61.13 3ag4 h SER 20 Cb 0.81 0.35 -0.06 0.00 0.14 0.00 0.00 62.40 63.65 3ag4 h SER 20 CO -0.10 -0.19 0.57 0.58 -1.14 0.00 0.00 176.83 176.56 3ag4 h VAL 21 N -0.01 1.05 -0.12 2.27 2.07 0.14 -1.99 116.25 119.67 3ag4 h VAL 21 Ca 0.26 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 3ag4 h VAL 21 Cb 0.41 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3ag4 h VAL 21 CO -0.57 0.18 -0.32 0.74 0.02 0.00 0.00 177.57 177.61 3ag4 h THR 22 N 0.98 1.38 -0.45 2.57 2.02 0.19 -1.01 112.91 118.59 3ag4 h THR 22 Ca 0.38 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.94 3ag4 h THR 22 Cb 0.22 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 3ag4 h THR 22 CO -0.14 0.48 0.30 -0.26 0.37 0.00 0.00 175.52 176.26 3ag4 h PHE 23 N 0.02 0.56 -0.15 3.16 0.05 -0.21 -2.58 116.94 117.79 3ag4 h PHE 23 Ca -0.01 0.01 -0.08 0.00 3.82 0.00 0.00 57.97 61.72 3ag4 h PHE 23 Cb 0.94 -0.19 -0.01 0.00 2.00 0.00 0.00 35.95 38.68 3ag4 h PHE 23 CO 0.11 0.35 -0.24 -0.07 -0.18 0.00 0.00 178.31 178.28 3ag4 h LEU 24 N 0.61 0.27 -1.71 1.54 3.38 -1.14 -0.44 115.31 117.81 3ag4 h LEU 24 Ca 0.16 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3ag4 h LEU 24 Cb -0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3ag4 h LEU 24 CO -0.04 0.53 -0.18 0.77 0.09 0.00 0.00 178.44 179.61 3ag4 h SER 25 N 0.25 0.00 0.27 -0.43 4.64 -0.77 -1.37 113.55 116.14 3ag4 h SER 25 Ca 0.04 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.02 3ag4 h SER 25 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 3ag4 h SER 25 CO 0.04 0.18 -1.82 -0.26 -0.87 0.00 0.00 176.83 174.10 3ag4 h PHE 26 N 0.00 0.42 0.04 4.77 -1.00 -1.36 -3.40 116.94 116.41 3ag4 h PHE 26 Ca -0.00 -0.31 -0.24 0.00 2.81 0.00 0.00 57.97 60.23 3ag4 h PHE 26 Cb 0.35 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.90 3ag4 h PHE 26 CO 0.00 1.55 -1.04 -0.07 -1.61 0.00 0.00 178.31 177.14 3ag4 h LEU 27 N 0.06 0.52 0.03 1.54 3.38 -0.87 -3.35 115.31 116.63 3ag4 h LEU 27 Ca -0.35 -0.45 -0.13 0.00 0.09 0.00 0.00 57.88 57.04 3ag4 h LEU 27 Cb 2.04 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 42.64 3ag4 h LEU 27 CO 0.11 1.28 -0.53 -0.07 0.09 0.00 0.00 178.44 179.32 3ag4 h LEU 28 N 0.19 0.40 -0.31 1.67 3.38 -1.47 -0.07 115.31 119.10 3ag4 h LEU 28 Ca -0.10 -0.83 -0.01 0.00 0.09 0.00 0.00 57.88 57.03 3ag4 h LEU 28 Cb 1.70 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 3ag4 h LEU 28 CO 0.18 1.19 0.16 -0.65 0.09 0.00 0.00 178.44 179.40 3ag4 h PRO 29 N -0.33 0.45 -0.40 1.13 0.11 -1.78 0.25 132.00 131.42 3ag4 h PRO 29 Ca -0.08 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.91 3ag4 h PRO 29 Cb 1.30 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3ag4 h PRO 29 CO 0.10 0.41 0.00 0.00 -0.21 0.00 0.00 178.00 178.30 3ag4 h ALA 30 N 1.02 0.54 -0.43 -0.75 0.00 -1.68 -1.91 119.26 116.05 3ag4 h ALA 30 Ca 0.11 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ag4 h ALA 30 Cb 0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 3ag4 h ALA 30 CO -0.01 0.32 -0.05 0.78 0.00 0.00 0.00 179.25 180.29 3ag4 h GLY 31 N 0.54 0.38 0.64 0.00 0.00 -0.54 0.11 103.07 104.21 3ag4 h GLY 31 Ca 0.11 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 3ag4 h GLY 31 CO 0.02 -0.14 -0.34 -0.25 0.00 0.00 0.00 176.54 175.84 3ag4 h TRP 32 N 0.06 -0.91 -0.47 5.60 7.01 -0.26 0.62 115.95 127.59 3ag4 h TRP 32 Ca 0.21 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.30 3ag4 h TRP 32 Cb 0.31 0.36 -0.07 0.00 -2.10 0.00 0.00 29.16 27.66 3ag4 h TRP 32 CO -0.32 -0.48 0.07 0.28 -2.79 0.00 0.00 178.44 175.20 3ag4 h VAL 33 N -0.71 0.71 -0.23 2.65 2.07 -1.08 -2.20 116.25 117.47 3ag4 h VAL 33 Ca -0.02 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 3ag4 h VAL 33 Cb 0.64 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3ag4 h VAL 33 CO -0.06 0.04 -0.30 -0.07 0.02 0.00 0.00 177.57 177.19 3ag4 h LEU 34 N 0.20 0.49 -0.83 2.57 4.07 -0.39 -1.54 115.31 119.88 3ag4 h LEU 34 Ca 0.23 -0.18 -0.09 0.00 0.08 0.00 0.00 57.88 57.92 3ag4 h LEU 34 Cb 0.32 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 3ag4 h LEU 34 CO -0.33 0.77 -0.11 0.22 -1.08 0.00 0.00 178.44 177.92 3ag4 h TYR 35 N 0.41 0.84 -0.07 1.13 3.20 0.51 -2.89 116.97 120.09 3ag4 h TYR 35 Ca 0.05 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.77 3ag4 h TYR 35 Cb 0.74 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3ag4 h TYR 35 CO 0.02 0.83 0.00 0.72 -1.64 0.00 0.00 178.16 178.10 3ag4 n HIS 36 N -4.17 0.07 -0.33 -3.82 8.25 -0.85 -4.51 115.22 109.87 3ag4 n HIS 36 Ca 0.01 -0.04 0.24 0.00 -0.26 0.00 0.00 57.72 57.68 3ag4 n HIS 36 Cb 0.36 0.00 0.46 0.00 1.12 0.00 0.00 29.99 31.93 3ag4 n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ag4 h LEU 37 N 3.03 0.12 -1.03 2.41 3.38 -1.07 0.03 115.31 122.18 3ag4 h LEU 37 Ca 0.00 0.25 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 3ag4 h LEU 37 Cb 0.65 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3ag4 h LEU 37 CO 0.00 -0.33 -0.45 -0.78 0.09 0.00 0.00 178.44 176.97 3ag4 h ASP 38 N 0.08 0.00 -0.05 -0.43 3.58 -1.85 -2.77 116.42 114.99 3ag4 h ASP 38 Ca 0.73 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 58.11 3ag4 h ASP 38 Cb 1.77 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.81 3ag4 h ASP 38 CO -0.77 0.45 -0.19 0.78 -2.88 0.00 0.00 179.24 176.64 3ag4 h ASN 39 N 0.00 0.41 0.03 2.28 2.35 -1.33 -3.23 115.58 116.08 3ag4 h ASN 39 Ca -0.00 -0.11 -0.19 0.00 -0.55 0.00 0.00 56.30 55.44 3ag4 h ASN 39 Cb 0.86 -0.11 0.02 0.00 0.05 0.00 0.00 38.32 39.14 3ag4 h ASN 39 CO 0.06 0.61 -0.75 1.88 -1.65 0.00 0.00 177.43 177.57 3ag4 h TYR 40 N 0.38 0.71 0.00 1.19 0.99 -1.34 -3.37 116.97 115.53 3ag4 h TYR 40 Ca 0.07 -0.40 0.00 0.00 2.00 0.00 0.00 58.73 60.39 3ag4 h TYR 40 Cb 0.55 -0.07 0.00 0.00 1.00 0.00 0.00 36.73 38.20 3ag4 h TYR 40 CO 0.02 1.24 0.00 1.63 -0.00 0.00 0.00 178.16 181.04 3ag4 n LYS 41 N -4.11 0.00 -3.17 4.88 5.02 -1.09 -2.78 118.16 116.91 3ag4 n LYS 41 Ca -0.11 0.58 -0.46 0.00 -2.02 0.00 0.00 58.31 56.31 3ag4 n LYS 41 Cb 0.75 -1.40 -0.02 0.00 -0.02 0.00 0.00 35.03 34.33 3ag4 n LYS 41 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3ag4 s LYS 42 N -2.62 3.57 0.00 1.97 2.47 -1.26 -5.15 119.74 118.72 3ag4 s LYS 42 Ca 0.00 -2.13 0.00 0.00 -1.56 0.00 0.00 55.97 52.28 3ag4 s LYS 42 Cb 0.00 -4.60 0.00 0.00 -1.46 0.00 0.00 37.83 31.77 3ag4 s LYS 42 CO 0.00 -1.49 0.00 0.43 0.16 0.00 0.00 175.35 174.45