#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s TYR 3 N 0.00 3.14 0.39 1.57 2.02 -1.26 -5.09 117.35 118.12 3ag3 s TYR 3 Ca 0.00 -0.13 -0.26 0.00 -0.37 0.00 0.00 57.07 56.31 3ag3 s TYR 3 Cb 0.00 -1.52 -0.09 0.00 -0.40 0.00 0.00 41.96 39.96 3ag3 s TYR 3 CO 0.00 0.43 1.20 -1.21 -1.57 0.00 0.00 175.55 174.41 3ag3 s GLU 4 N -3.90 4.08 0.16 -0.62 0.41 -1.26 -5.05 118.70 112.51 3ag3 s GLU 4 Ca 0.35 1.93 0.10 0.00 -0.41 0.00 0.00 54.97 56.94 3ag3 s GLU 4 Cb -0.08 -2.74 -0.04 0.00 -1.78 0.00 0.00 34.13 29.49 3ag3 s GLU 4 CO 0.26 -0.33 -0.22 -1.21 -0.49 0.00 0.00 175.26 173.28 3ag3 s GLU 5 N -2.21 1.34 0.00 1.61 2.02 -1.26 -4.65 118.70 115.55 3ag3 s GLU 5 Ca 0.56 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 54.16 3ag3 s GLU 5 Cb -0.33 -1.58 0.00 0.00 0.10 0.00 0.00 34.13 32.32 3ag3 s GLU 5 CO 0.42 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.46 3ag3 n GLY 6 N 0.54 1.54 3.65 -1.39 0.00 -1.26 -4.76 105.19 103.51 3ag3 n GLY 6 Ca -0.15 -2.17 -0.51 0.00 0.00 0.00 0.00 46.02 43.19 3ag3 n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ag3 n PRO 7 N -0.34 1.61 -0.97 1.61 -0.02 -1.26 -1.74 135.00 133.89 3ag3 n PRO 7 Ca 0.00 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3ag3 n PRO 7 Cb 0.00 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3ag3 n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ag3 n GLY 8 N 3.43 0.83 0.10 -1.23 0.00 -1.26 -4.82 105.19 102.24 3ag3 n GLY 8 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 3ag3 n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ag3 n LYS 9 N -2.13 3.18 -1.37 1.61 4.76 -0.71 -4.52 118.16 118.98 3ag3 n LYS 9 Ca 0.00 -0.29 -0.24 0.00 -2.87 0.00 0.00 58.31 54.91 3ag3 n LYS 9 Cb 0.01 -0.97 0.11 0.00 -1.84 0.00 0.00 35.03 32.34 3ag3 n LYS 9 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3ag3 n ASN 10 N -0.72 5.30 -4.16 4.39 6.94 -1.22 -4.66 115.26 121.13 3ag3 n ASN 10 Ca 0.03 -3.76 -0.11 0.00 -0.02 0.00 0.00 54.58 50.72 3ag3 n ASN 10 Cb 0.16 -0.73 -0.10 0.00 -2.36 0.00 0.00 39.78 36.74 3ag3 n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3ag3 s ILE 11 N -4.20 0.66 -1.73 1.53 -4.36 -1.26 -5.04 121.20 106.80 3ag3 s ILE 11 Ca 0.56 -1.86 0.11 0.00 -0.26 0.00 0.00 60.65 59.20 3ag3 s ILE 11 Cb 0.46 -1.59 0.35 0.00 1.25 0.00 0.00 42.46 42.93 3ag3 s ILE 11 CO 0.02 -0.84 1.25 -0.81 0.24 0.00 0.00 174.94 174.80 3ag3 n PRO 12 N 0.08 2.09 -4.37 0.37 -0.04 -1.26 -4.81 135.00 127.07 3ag3 n PRO 12 Ca -0.13 -1.41 -0.19 0.00 -0.04 0.00 0.00 63.50 61.73 3ag3 n PRO 12 Cb 0.60 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 3ag3 n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3ag3 s PHE 13 N -1.57 1.77 0.10 0.54 -0.12 -1.26 -5.13 117.98 112.30 3ag3 s PHE 13 Ca 0.26 -0.61 -0.20 0.00 -0.05 0.00 0.00 56.93 56.33 3ag3 s PHE 13 Cb 0.15 -0.87 -0.07 0.00 -0.63 0.00 0.00 43.02 41.60 3ag3 s PHE 13 CO 0.15 0.33 0.60 0.45 -0.05 0.00 0.00 175.22 176.71 3ag3 s SER 14 N -3.35 7.09 -0.22 1.98 0.15 -1.26 -4.97 113.70 113.12 3ag3 s SER 14 Ca 0.24 1.31 0.11 0.00 0.70 0.00 0.00 55.95 58.31 3ag3 s SER 14 Cb 0.00 -2.37 0.43 0.00 -1.71 0.00 0.00 66.02 62.37 3ag3 s SER 14 CO 0.08 0.24 1.25 1.33 1.20 0.00 0.00 173.24 177.34 3ag3 n VAL 15 N 1.56 2.25 -0.13 4.45 0.24 -1.26 -4.64 118.33 120.79 3ag3 n VAL 15 Ca -0.09 -3.18 -0.05 0.00 -2.04 0.00 0.00 64.34 58.99 3ag3 n VAL 15 Cb 0.51 -0.25 0.15 0.00 -1.47 0.00 0.00 33.84 32.77 3ag3 n VAL 15 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3ag3 h GLU 16 N 0.98 0.84 -3.81 7.34 4.57 -1.93 -3.40 114.58 119.18 3ag3 h GLU 16 Ca 0.03 -0.22 -0.42 0.00 -1.18 0.00 0.00 59.36 57.56 3ag3 h GLU 16 Cb 1.08 -0.10 -0.37 0.00 -0.16 0.00 0.00 28.75 29.20 3ag3 h GLU 16 CO 0.05 0.82 -0.77 1.21 -1.18 0.00 0.00 179.01 179.14 3ag3 s ASN 17 N -6.61 1.34 0.47 1.04 3.84 -1.26 -5.03 114.94 108.71 3ag3 s ASN 17 Ca -0.10 -0.10 0.31 0.00 0.21 0.00 0.00 52.86 53.18 3ag3 s ASN 17 Cb 0.15 -0.44 1.32 0.00 -0.55 0.00 0.00 41.25 41.73 3ag3 s ASN 17 CO 0.82 -0.15 1.92 0.07 -2.79 0.00 0.00 177.10 176.97 3ag3 h LYS 18 N 7.92 0.00 0.05 0.43 2.10 -1.95 -0.65 116.57 124.47 3ag3 h LYS 18 Ca -0.27 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.04 3ag3 h LYS 18 Cb 1.13 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.42 3ag3 h LYS 18 CO 0.34 0.00 -2.00 0.91 -2.00 0.00 0.00 179.45 176.70 3ag3 n TRP 19 N -2.82 0.88 -0.34 0.07 7.02 -1.26 -0.74 117.44 120.25 3ag3 n TRP 19 Ca 0.01 0.24 -0.03 0.00 -1.02 0.00 0.00 57.50 56.69 3ag3 n TRP 19 Cb 0.26 -1.13 0.09 0.00 -2.42 0.00 0.00 31.31 28.11 3ag3 n TRP 19 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 3ag3 h ARG 20 N 0.03 1.23 -0.42 -0.99 2.43 -1.91 -2.00 114.38 112.75 3ag3 h ARG 20 Ca -0.41 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 58.60 3ag3 h ARG 20 Cb 2.03 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 31.30 3ag3 h ARG 20 CO 0.06 0.85 0.04 1.25 -1.51 0.00 0.00 179.97 180.65 3ag3 h LEU 21 N 1.25 0.70 -0.89 3.80 5.85 -1.09 -0.33 115.31 124.60 3ag3 h LEU 21 Ca 0.33 -0.28 0.11 0.00 0.84 0.00 0.00 57.88 58.87 3ag3 h LEU 21 Cb -0.08 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.68 3ag3 h LEU 21 CO -0.07 0.81 0.53 0.25 -0.34 0.00 0.00 178.44 179.62 3ag3 h LEU 22 N 0.56 0.76 -0.29 2.25 5.85 -0.78 0.31 115.31 123.97 3ag3 h LEU 22 Ca 0.12 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 3ag3 h LEU 22 Cb 0.43 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3ag3 h LEU 22 CO 0.01 0.42 -0.06 0.00 -0.34 0.00 0.00 178.44 178.48 3ag3 h ALA 23 N 1.49 0.40 -0.56 1.25 0.00 -0.93 -0.71 119.26 120.21 3ag3 h ALA 23 Ca 0.44 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ag3 h ALA 23 Cb 0.42 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3ag3 h ALA 23 CO -0.26 0.21 0.35 0.52 0.00 0.00 0.00 179.25 180.07 3ag3 h MET 24 N 0.32 0.69 -0.25 0.00 2.86 -0.63 -1.41 114.93 116.51 3ag3 h MET 24 Ca 0.08 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.54 3ag3 h MET 24 Cb 0.53 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3ag3 h MET 24 CO 0.03 0.46 -0.40 0.52 1.06 0.00 0.00 176.91 178.57 3ag3 h MET 25 N 0.71 0.59 -0.28 1.72 2.07 -0.25 -0.26 114.93 119.23 3ag3 h MET 25 Ca 0.22 -0.30 -0.02 0.00 -2.07 0.00 0.00 59.70 57.52 3ag3 h MET 25 Cb -0.03 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.69 3ag3 h MET 25 CO -0.07 0.89 0.09 1.15 1.07 0.00 0.00 176.91 180.04 3ag3 h THR 26 N 0.48 1.20 -0.30 2.22 2.02 -1.14 0.50 112.91 117.89 3ag3 h THR 26 Ca 0.04 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 3ag3 h THR 26 Cb 0.91 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 3ag3 h THR 26 CO 0.08 0.21 -0.06 -0.07 0.37 0.00 0.00 175.52 176.05 3ag3 h LEU 27 N 0.29 0.46 0.43 2.58 3.38 -1.08 0.71 115.31 122.07 3ag3 h LEU 27 Ca 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3ag3 h LEU 27 Cb 0.24 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ag3 h LEU 27 CO -0.00 0.58 -0.21 0.15 0.09 0.00 0.00 178.44 179.05 3ag3 h PHE 28 N 0.46 -0.53 -0.28 1.13 3.57 -0.70 -1.68 116.94 118.90 3ag3 h PHE 28 Ca 0.09 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.44 3ag3 h PHE 28 Cb 0.40 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3ag3 h PHE 28 CO 0.01 -0.33 -0.41 0.74 -2.23 0.00 0.00 178.31 176.09 3ag3 h PHE 29 N -1.07 0.83 0.00 0.41 -1.00 -1.00 -2.91 116.94 112.20 3ag3 h PHE 29 Ca -0.06 -0.25 -0.03 0.00 2.81 0.00 0.00 57.97 60.44 3ag3 h PHE 29 Cb 0.44 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 39.82 3ag3 h PHE 29 CO 0.01 0.99 -0.14 0.78 -1.61 0.00 0.00 178.31 178.34 3ag3 h GLY 30 N 0.96 0.00 1.00 -1.45 0.00 -0.94 -1.65 103.07 101.00 3ag3 h GLY 30 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.25 3ag3 h GLY 30 CO 0.09 0.00 -0.27 1.48 0.00 0.00 0.00 176.54 177.83 3ag3 h SER 31 N 0.00 0.80 -0.44 0.19 4.64 -1.10 0.85 113.55 118.49 3ag3 h SER 31 Ca -0.00 -0.45 -0.14 0.00 -0.47 0.00 0.00 61.79 60.72 3ag3 h SER 31 Cb 0.30 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3ag3 h SER 31 CO 0.02 1.09 -0.29 1.23 -0.87 0.00 0.00 176.83 178.01 3ag3 h GLY 32 N 0.52 1.06 1.07 -0.77 0.00 -1.38 -1.75 103.07 101.82 3ag3 h GLY 32 Ca 0.06 -1.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.26 3ag3 h GLY 32 CO 0.07 0.91 -0.19 -2.75 0.00 0.00 0.00 176.54 174.58 3ag3 h PHE 33 N 0.82 1.07 -0.15 5.60 3.57 -1.20 -2.89 116.94 123.76 3ag3 h PHE 33 Ca 0.09 -0.26 -0.11 0.00 3.53 0.00 0.00 57.97 61.23 3ag3 h PHE 33 Cb 0.88 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3ag3 h PHE 33 CO 0.06 1.06 -0.38 0.00 -2.23 0.00 0.00 178.31 176.82 3ag3 h ALA 34 N 0.85 1.08 -0.15 2.41 0.00 -0.70 -3.37 119.26 119.39 3ag3 h ALA 34 Ca 0.11 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.66 3ag3 h ALA 34 Cb 0.76 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3ag3 h ALA 34 CO 0.06 0.58 -0.12 0.00 0.00 0.00 0.00 179.25 179.77 3ag3 h ALA 35 N 1.33 -0.01 -0.75 0.00 0.00 -1.09 -1.57 119.26 117.17 3ag3 h ALA 35 Ca 0.03 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3ag3 h ALA 35 Cb 0.79 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3ag3 h ALA 35 CO 0.06 -0.57 0.49 -1.35 0.00 0.00 0.00 179.25 177.89 3ag3 h PRO 36 N -0.14 0.82 -0.74 0.00 0.11 -1.74 -0.99 132.00 129.32 3ag3 h PRO 36 Ca 0.10 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 3ag3 h PRO 36 Cb 0.28 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 3ag3 h PRO 36 CO -0.23 0.54 0.30 0.74 -0.21 0.00 0.00 178.00 179.15 3ag3 h PHE 37 N 0.85 1.12 -0.19 0.65 -1.00 -1.52 -0.41 116.94 116.43 3ag3 h PHE 37 Ca 0.31 -0.08 -0.12 0.00 2.81 0.00 0.00 57.97 60.89 3ag3 h PHE 37 Cb 0.16 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.37 3ag3 h PHE 37 CO -0.00 0.85 -0.40 0.74 -1.61 0.00 0.00 178.31 177.89 3ag3 h PHE 38 N 1.06 0.52 -0.22 -0.55 -1.00 -0.96 -1.66 116.94 114.12 3ag3 h PHE 38 Ca 0.25 -0.15 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 3ag3 h PHE 38 Cb 0.20 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 3ag3 h PHE 38 CO 0.02 0.78 0.13 0.82 -1.61 0.00 0.00 178.31 178.44 3ag3 h ILE 39 N 0.37 1.10 -0.70 -0.55 2.04 -1.09 0.01 117.51 118.69 3ag3 h ILE 39 Ca 0.03 -0.26 0.11 0.00 1.00 0.00 0.00 64.86 65.75 3ag3 h ILE 39 Cb 0.86 0.87 -0.08 0.00 -0.74 0.00 0.00 36.82 37.73 3ag3 h ILE 39 CO 0.07 0.10 0.30 0.58 0.00 0.00 0.00 178.15 179.20 3ag3 h VAL 40 N 0.26 0.75 -0.50 1.67 2.07 -0.94 -0.89 116.25 118.68 3ag3 h VAL 40 Ca 0.08 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3ag3 h VAL 40 Cb 0.05 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3ag3 h VAL 40 CO -0.01 0.09 0.17 -0.09 0.02 0.00 0.00 177.57 177.75 3ag3 h ARG 41 N 0.49 0.76 -0.45 1.57 2.43 -1.18 0.75 114.38 118.75 3ag3 h ARG 41 Ca 0.37 -0.16 0.07 0.00 -0.81 0.00 0.00 59.98 59.45 3ag3 h ARG 41 Cb 0.48 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 3ag3 h ARG 41 CO -0.33 0.70 0.09 1.25 -1.51 0.00 0.00 179.97 180.17 3ag3 h HIS 42 N 0.67 0.14 -0.35 2.20 2.76 -0.50 -0.81 115.15 119.25 3ag3 h HIS 42 Ca 0.16 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.22 3ag3 h HIS 42 Cb 0.25 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 3ag3 h HIS 42 CO 0.01 -0.00 -0.34 1.96 -1.30 0.00 0.00 177.93 178.26 3ag3 h GLN 43 N 0.22 0.78 -0.39 5.26 1.08 -0.69 -2.64 115.11 118.73 3ag3 h GLN 43 Ca 0.22 -0.38 -0.09 0.00 -1.45 0.00 0.00 58.65 56.96 3ag3 h GLN 43 Cb 0.29 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 3ag3 h GLN 43 CO -0.30 1.00 -0.12 -0.07 -0.95 0.00 0.00 178.83 178.40 3ag3 h LEU 44 N 0.65 0.69 -0.00 1.46 3.38 -0.42 -3.02 115.31 118.06 3ag3 h LEU 44 Ca 0.07 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3ag3 h LEU 44 Cb 0.88 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3ag3 h LEU 44 CO 0.08 0.83 0.00 0.18 0.09 0.00 0.00 178.44 179.62 3ag3 n LEU 45 N -4.17 0.65 0.12 1.67 4.77 -0.35 -3.46 117.00 116.23 3ag3 n LEU 45 Ca 0.01 0.56 -0.01 0.00 -0.03 0.00 0.00 56.01 56.54 3ag3 n LEU 45 Cb 0.36 -0.36 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 3ag3 n LEU 45 CO 0.42 -0.15 0.42 0.11 -1.33 0.00 0.00 177.39 176.86 3ag3 h LYS 46 N 0.00 0.00 0.00 3.23 1.57 -1.33 -3.51 116.57 116.53 3ag3 h LYS 46 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ag3 h LYS 46 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3ag3 h LYS 46 CO 0.00 0.68 0.00 1.17 -0.57 0.00 0.00 179.45 180.73