#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 s THR 2 N 0.00 4.59 0.11 9.51 -4.23 -1.26 -5.13 115.64 119.23 3ag1 s THR 2 Ca 0.00 -0.61 0.08 0.00 -1.18 0.00 0.00 61.69 59.98 3ag1 s THR 2 Cb 0.00 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 3ag1 s THR 2 CO 0.00 0.23 -0.21 0.00 -0.54 0.00 0.00 174.62 174.10 3ag1 s ALA 3 N -1.29 1.85 0.73 3.99 0.00 -1.26 -5.15 121.76 120.64 3ag1 s ALA 3 Ca 0.26 -1.28 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 3ag1 s ALA 3 Cb -0.12 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.79 3ag1 s ALA 3 CO 0.18 0.36 1.15 0.15 0.00 0.00 0.00 175.76 177.60 3ag1 s LYS 4 N -2.00 2.26 0.64 0.00 1.02 -1.26 -5.00 119.74 115.39 3ag1 s LYS 4 Ca 0.08 1.52 -0.18 0.00 0.02 0.00 0.00 55.97 57.41 3ag1 s LYS 4 Cb -0.10 -1.87 -0.02 0.00 -0.52 0.00 0.00 37.83 35.32 3ag1 s LYS 4 CO 0.05 -1.70 1.23 -2.30 -0.92 0.00 0.00 175.35 171.71 3ag1 n PRO 5 N -2.90 1.09 -1.60 -1.68 -0.02 -1.26 -4.85 135.00 123.79 3ag1 n PRO 5 Ca 0.12 0.43 -0.54 0.00 -2.02 0.00 0.00 63.50 61.48 3ag1 n PRO 5 Cb 0.51 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 3ag1 n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ag1 n ALA 6 N -1.84 -1.25 0.21 3.55 0.00 -1.26 -4.85 120.51 115.06 3ag1 n ALA 6 Ca 0.15 0.51 0.05 0.00 0.00 0.00 0.00 53.44 54.16 3ag1 n ALA 6 Cb 0.48 -2.05 0.46 0.00 0.00 0.00 0.00 19.45 18.34 3ag1 n ALA 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ag1 h LYS 7 N 4.75 0.00 -1.81 0.00 1.57 -2.05 -3.36 116.57 115.67 3ag1 h LYS 7 Ca -0.48 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.80 3ag1 h LYS 7 Cb 1.35 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.32 3ag1 h LYS 7 CO 0.79 0.28 -0.96 0.25 -0.57 0.00 0.00 179.45 179.24 3ag1 n THR 8 N -4.00 -0.74 -1.53 -0.16 -2.24 -1.26 -5.12 114.28 99.23 3ag1 n THR 8 Ca -0.02 -3.33 -0.43 0.00 -2.27 0.00 0.00 64.05 58.01 3ag1 n THR 8 Cb 0.34 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 3ag1 n THR 8 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3ag1 n PRO 9 N 1.99 0.96 -3.71 -0.78 -0.02 -1.26 -4.92 135.00 127.26 3ag1 n PRO 9 Ca 0.22 0.35 -0.38 0.00 -2.02 0.00 0.00 63.50 61.67 3ag1 n PRO 9 Cb 0.53 -1.73 -0.11 0.00 -0.02 0.00 0.00 33.50 32.16 3ag1 n PRO 9 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ag1 s THR 10 N -1.29 3.80 0.90 3.45 2.01 -1.26 -5.07 115.64 118.19 3ag1 s THR 10 Ca 0.62 -1.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 3ag1 s THR 10 Cb -0.63 -3.30 0.14 0.00 0.01 0.00 0.00 72.50 68.71 3ag1 s THR 10 CO 0.58 -0.39 1.10 -0.94 -0.69 0.00 0.00 174.62 174.28 3ag1 s SER 11 N 1.75 3.24 0.45 3.53 1.04 -1.26 -4.70 113.70 117.75 3ag1 s SER 11 Ca 0.02 1.81 0.24 0.00 0.48 0.00 0.00 55.95 58.49 3ag1 s SER 11 Cb -0.21 -2.41 1.24 0.00 0.10 0.00 0.00 66.02 64.74 3ag1 s SER 11 CO 0.01 -2.84 1.81 -0.65 0.98 0.00 0.00 173.24 172.55 3ag1 h PRO 12 N -1.68 0.25 0.15 4.02 0.11 -1.99 -0.84 132.00 132.01 3ag1 h PRO 12 Ca -0.47 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.32 3ag1 h PRO 12 Cb 1.27 -0.06 0.03 0.00 0.11 0.00 0.00 31.00 32.35 3ag1 h PRO 12 CO 0.49 0.17 -1.29 -0.22 -0.21 0.00 0.00 178.00 176.94 3ag1 h LYS 13 N 0.26 0.56 -0.86 1.05 3.11 -2.00 -2.66 116.57 116.03 3ag1 h LYS 13 Ca 0.54 -0.80 -0.01 0.00 -2.81 0.00 0.00 60.65 57.57 3ag1 h LYS 13 Cb 1.63 0.27 -0.04 0.00 -1.00 0.00 0.00 32.23 33.09 3ag1 h LYS 13 CO -0.18 1.36 0.48 0.93 -2.81 0.00 0.00 179.45 179.24 3ag1 h GLU 14 N 0.22 1.19 -0.27 1.90 5.08 -1.70 -2.16 114.58 118.85 3ag1 h GLU 14 Ca -0.19 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 3ag1 h GLU 14 Cb 1.97 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.97 3ag1 h GLU 14 CO 0.24 0.87 -0.11 1.96 -1.00 0.00 0.00 179.01 180.96 3ag1 h GLN 15 N 1.19 0.45 -0.38 2.33 4.20 -1.10 -1.96 115.11 119.84 3ag1 h GLN 15 Ca 0.30 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 3ag1 h GLN 15 Cb 0.01 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3ag1 h GLN 15 CO -0.05 0.56 -0.02 0.00 -0.67 0.00 0.00 178.83 178.66 3ag1 h ALA 16 N 1.47 1.27 -0.17 3.87 0.00 -1.03 -0.89 119.26 123.77 3ag1 h ALA 16 Ca 0.08 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3ag1 h ALA 16 Cb 0.46 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ag1 h ALA 16 CO 0.03 0.49 -0.27 0.82 0.00 0.00 0.00 179.25 180.31 3ag1 h ILE 17 N 0.57 1.35 -0.79 0.00 2.04 -1.24 -2.17 117.51 117.28 3ag1 h ILE 17 Ca 0.12 -1.50 0.06 0.00 1.00 0.00 0.00 64.86 64.54 3ag1 h ILE 17 Cb 0.39 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 38.32 3ag1 h ILE 17 CO 0.02 0.45 0.47 1.23 0.00 0.00 0.00 178.15 180.32 3ag1 h GLY 18 N 0.12 1.17 0.50 5.37 0.00 -1.07 0.15 103.07 109.31 3ag1 h GLY 18 Ca 0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3ag1 h GLY 18 CO 0.06 0.23 -0.00 -2.00 0.00 0.00 0.00 176.54 174.83 3ag1 h LEU 19 N 0.87 -0.00 -0.50 3.11 5.85 -1.15 -1.65 115.31 121.83 3ag1 h LEU 19 Ca 0.34 -0.50 0.10 0.00 0.84 0.00 0.00 57.88 58.66 3ag1 h LEU 19 Cb 0.17 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 3ag1 h LEU 19 CO -0.17 0.50 -0.02 0.28 -0.34 0.00 0.00 178.44 178.69 3ag1 h SER 20 N -0.51 -0.25 -0.55 1.25 0.02 -1.07 0.50 113.55 112.93 3ag1 h SER 20 Ca -0.00 0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 3ag1 h SER 20 Cb 0.50 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 3ag1 h SER 20 CO 0.00 -0.09 -0.05 0.58 -1.14 0.00 0.00 176.83 176.14 3ag1 h VAL 21 N 0.10 1.27 -0.22 2.27 2.07 -0.61 -1.64 116.25 119.48 3ag1 h VAL 21 Ca 0.25 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 3ag1 h VAL 21 Cb 0.38 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3ag1 h VAL 21 CO -0.43 0.42 0.13 0.74 0.02 0.00 0.00 177.57 178.45 3ag1 h THR 22 N 0.89 1.10 -0.22 2.57 2.02 -0.52 -1.37 112.91 117.38 3ag1 h THR 22 Ca 0.15 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.97 3ag1 h THR 22 Cb 0.60 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3ag1 h THR 22 CO 0.04 0.10 -0.30 -0.26 0.37 0.00 0.00 175.52 175.47 3ag1 h PHE 23 N 0.26 0.49 -0.10 3.16 0.05 -0.62 -2.68 116.94 117.51 3ag1 h PHE 23 Ca 0.08 -0.11 -0.14 0.00 3.82 0.00 0.00 57.97 61.62 3ag1 h PHE 23 Cb 0.05 -0.12 -0.01 0.00 2.00 0.00 0.00 35.95 37.87 3ag1 h PHE 23 CO -0.04 0.69 -0.55 -0.07 -0.18 0.00 0.00 178.31 178.15 3ag1 h LEU 24 N 0.38 0.32 -1.06 1.54 3.38 -0.90 -0.53 115.31 118.43 3ag1 h LEU 24 Ca 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3ag1 h LEU 24 Cb 0.71 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3ag1 h LEU 24 CO 0.05 0.81 -0.06 0.77 0.09 0.00 0.00 178.44 180.11 3ag1 h SER 25 N 0.22 0.00 0.04 -0.43 4.64 -0.91 -0.72 113.55 116.38 3ag1 h SER 25 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 3ag1 h SER 25 Cb 1.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3ag1 h SER 25 CO 0.09 0.06 -0.53 -0.26 -0.87 0.00 0.00 176.83 175.31 3ag1 h PHE 26 N 0.00 0.14 0.12 4.77 -1.00 -1.41 -3.42 116.94 116.14 3ag1 h PHE 26 Ca -0.00 -0.11 -0.27 0.00 2.81 0.00 0.00 57.97 60.40 3ag1 h PHE 26 Cb 0.68 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 40.24 3ag1 h PHE 26 CO 0.00 1.21 -1.20 -0.07 -1.61 0.00 0.00 178.31 176.63 3ag1 h LEU 27 N -0.81 0.51 0.33 1.54 3.38 -0.78 -3.35 115.31 116.12 3ag1 h LEU 27 Ca -0.12 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 3ag1 h LEU 27 Cb 1.25 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3ag1 h LEU 27 CO -0.01 1.37 -0.16 -0.07 0.09 0.00 0.00 178.44 179.67 3ag1 h LEU 28 N 0.12 -0.37 -0.42 1.67 3.38 -1.38 0.24 115.31 118.55 3ag1 h LEU 28 Ca -0.14 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3ag1 h LEU 28 Cb 1.91 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.73 3ag1 h LEU 28 CO 0.20 -0.07 0.09 -0.65 0.09 0.00 0.00 178.44 178.10 3ag1 h PRO 29 N -0.68 0.68 -0.60 1.13 0.11 -1.79 0.10 132.00 130.95 3ag1 h PRO 29 Ca -0.04 -0.17 -0.06 0.00 0.11 0.00 0.00 66.00 65.84 3ag1 h PRO 29 Cb 0.48 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 3ag1 h PRO 29 CO 0.07 0.70 0.13 0.00 -0.21 0.00 0.00 178.00 178.70 3ag1 h ALA 30 N 0.95 1.11 -0.95 -0.75 0.00 -1.69 -2.29 119.26 115.63 3ag1 h ALA 30 Ca 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ag1 h ALA 30 Cb 0.33 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3ag1 h ALA 30 CO 0.00 0.59 0.59 0.78 0.00 0.00 0.00 179.25 181.22 3ag1 h GLY 31 N 1.02 1.38 0.45 0.00 0.00 -0.52 -1.30 103.07 104.10 3ag1 h GLY 31 Ca 0.19 -0.56 0.05 0.00 0.00 0.00 0.00 47.33 47.01 3ag1 h GLY 31 CO 0.00 0.54 -0.12 -0.25 0.00 0.00 0.00 176.54 176.72 3ag1 h TRP 32 N 1.31 -0.29 -0.37 5.60 7.01 -0.28 0.92 115.95 129.85 3ag1 h TRP 32 Ca 0.34 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.28 3ag1 h TRP 32 Cb -0.08 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.13 3ag1 h TRP 32 CO 0.00 -0.18 -0.09 0.28 -2.79 0.00 0.00 178.44 175.66 3ag1 h VAL 33 N -0.11 1.28 -0.03 2.65 2.07 -1.13 -2.44 116.25 118.54 3ag1 h VAL 33 Ca 0.11 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 3ag1 h VAL 33 Cb 0.28 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3ag1 h VAL 33 CO -0.26 0.39 -0.03 -0.07 0.02 0.00 0.00 177.57 177.62 3ag1 h LEU 34 N 0.52 0.08 -0.85 2.57 4.07 -1.05 -2.74 115.31 117.90 3ag1 h LEU 34 Ca 0.09 -0.48 0.17 0.00 0.08 0.00 0.00 57.88 57.75 3ag1 h LEU 34 Cb 0.61 -0.02 -0.16 0.00 1.08 0.00 0.00 40.66 42.16 3ag1 h LEU 34 CO 0.04 0.54 -0.19 0.22 -1.08 0.00 0.00 178.44 177.97 3ag1 h TYR 35 N -0.38 -0.41 -0.26 1.13 3.20 -0.81 -2.37 116.97 117.06 3ag1 h TYR 35 Ca 0.01 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3ag1 h TYR 35 Cb 0.52 0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.11 3ag1 h TYR 35 CO 0.09 -0.36 0.00 0.72 -1.64 0.00 0.00 178.16 176.97 3ag1 n HIS 36 N -5.54 0.45 0.22 -3.82 8.25 -0.92 -4.45 115.22 109.41 3ag1 n HIS 36 Ca 0.13 -0.20 0.05 0.00 -0.26 0.00 0.00 57.72 57.45 3ag1 n HIS 36 Cb 0.45 -0.05 0.51 0.00 1.12 0.00 0.00 29.99 32.02 3ag1 n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ag1 h LEU 37 N 1.55 0.01 -0.29 2.41 3.38 -1.13 -2.54 115.31 118.69 3ag1 h LEU 37 Ca 0.00 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3ag1 h LEU 37 Cb 0.51 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ag1 h LEU 37 CO 0.04 0.17 -0.38 -0.78 0.09 0.00 0.00 178.44 177.58 3ag1 h ASP 38 N 0.01 0.84 0.00 -0.43 3.58 -1.83 -2.78 116.42 115.81 3ag1 h ASP 38 Ca -0.00 -0.50 -0.00 0.00 0.42 0.00 0.00 57.03 56.95 3ag1 h ASP 38 Cb 0.29 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 3ag1 h ASP 38 CO 0.02 1.17 -0.00 0.78 -2.88 0.00 0.00 179.24 178.33 3ag1 h ASN 39 N 0.53 0.00 0.56 2.28 2.35 -1.79 -2.53 115.58 116.98 3ag1 h ASN 39 Ca 0.04 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.52 3ag1 h ASN 39 Cb 0.97 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.29 3ag1 h ASN 39 CO 0.09 0.00 -1.61 1.88 -1.65 0.00 0.00 177.43 176.14 3ag1 h TYR 40 N 0.00 0.00 0.00 1.19 0.99 -1.39 -3.39 116.97 114.37 3ag1 h TYR 40 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3ag1 h TYR 40 Cb 0.00 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.73 3ag1 h TYR 40 CO 0.00 0.94 0.00 1.63 -0.00 0.00 0.00 178.16 180.73 3ag1 n LYS 41 N -3.05 0.00 -0.94 4.88 5.02 -0.95 -3.98 118.16 119.14 3ag1 n LYS 41 Ca -0.15 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.86 3ag1 n LYS 41 Cb 1.01 -0.32 -0.02 0.00 -0.02 0.00 0.00 35.03 35.68 3ag1 n LYS 41 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ag1 n LYS 42 N -0.19 2.46 0.00 1.97 3.00 -1.24 -5.13 118.16 119.03 3ag1 n LYS 42 Ca 0.00 -1.70 0.00 0.00 -0.00 0.00 0.00 58.31 56.61 3ag1 n LYS 42 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 35.03 32.43 3ag1 n LYS 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83