#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s GLU 2 N 0.00 1.97 -0.65 -1.08 2.02 -1.26 -5.08 118.70 114.62 3ag3 s GLU 2 Ca 0.00 -1.30 -0.28 0.00 0.02 0.00 0.00 54.97 53.42 3ag3 s GLU 2 Cb 0.00 -2.12 0.03 0.00 0.10 0.00 0.00 34.13 32.14 3ag3 s GLU 2 CO 0.00 0.43 1.27 1.21 0.02 0.00 0.00 175.26 178.20 3ag3 s ASN 3 N -2.76 6.25 -0.24 -0.19 3.84 -1.26 -4.86 114.94 115.73 3ag3 s ASN 3 Ca 0.24 -0.13 0.14 0.00 0.21 0.00 0.00 52.86 53.32 3ag3 s ASN 3 Cb -0.09 -2.56 0.60 0.00 -0.55 0.00 0.00 41.25 38.66 3ag3 s ASN 3 CO 0.14 -1.69 1.55 0.54 -2.79 0.00 0.00 177.10 174.85 3ag3 n ARG 4 N 8.92 3.11 -0.16 0.43 5.12 -1.26 -4.67 116.66 128.15 3ag3 n ARG 4 Ca 0.07 -2.99 -0.03 0.00 -1.93 0.00 0.00 57.85 52.97 3ag3 n ARG 4 Cb 0.49 -1.97 0.06 0.00 -1.16 0.00 0.00 32.46 29.89 3ag3 n ARG 4 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3ag3 h VAL 5 N 2.07 0.84 -0.96 1.55 2.07 -2.00 -2.11 116.25 117.70 3ag3 h VAL 5 Ca 0.10 -0.13 0.24 0.00 0.82 0.00 0.00 66.70 67.73 3ag3 h VAL 5 Cb 1.74 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.88 3ag3 h VAL 5 CO 0.39 0.07 0.64 0.00 0.02 0.00 0.00 177.57 178.70 3ag3 h ALA 6 N 1.33 2.37 -0.31 1.67 0.00 -2.00 0.19 119.26 122.51 3ag3 h ALA 6 Ca 0.24 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 3ag3 h ALA 6 Cb 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ag3 h ALA 6 CO -0.23 -0.69 -0.50 0.93 0.00 0.00 0.00 179.25 178.76 3ag3 h GLU 7 N 0.32 0.88 -0.09 0.00 5.08 -1.75 -1.18 114.58 117.84 3ag3 h GLU 7 Ca 0.51 -0.54 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3ag3 h GLU 7 Cb 1.43 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 3ag3 h GLU 7 CO -0.18 1.18 -0.37 0.87 -1.00 0.00 0.00 179.01 179.51 3ag3 h LYS 8 N 0.67 0.19 -0.43 2.33 1.79 -0.88 -2.17 116.57 118.07 3ag3 h LYS 8 Ca 0.02 -0.08 -0.13 0.00 -2.18 0.00 0.00 60.65 58.29 3ag3 h LYS 8 Cb 1.11 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 3ag3 h LYS 8 CO 0.11 0.54 -0.22 1.96 -1.08 0.00 0.00 179.45 180.77 3ag3 h GLN 9 N 0.16 0.91 0.05 3.15 4.20 -0.35 -0.09 115.11 123.14 3ag3 h GLN 9 Ca 0.02 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.32 3ag3 h GLN 9 Cb 0.74 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3ag3 h GLN 9 CO 0.06 1.06 -0.02 -0.22 -0.67 0.00 0.00 178.83 179.03 3ag3 h LYS 10 N 0.74 -0.06 -0.33 1.46 3.64 -1.14 -0.69 116.57 120.20 3ag3 h LYS 10 Ca 0.10 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3ag3 h LYS 10 Cb 0.79 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 3ag3 h LYS 10 CO 0.07 -0.04 0.12 1.25 -2.27 0.00 0.00 179.45 178.58 3ag3 h LEU 11 N -0.07 0.15 -0.00 5.20 5.85 -1.16 -2.21 115.31 123.07 3ag3 h LEU 11 Ca -0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3ag3 h LEU 11 Cb 0.05 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3ag3 h LEU 11 CO 0.01 0.12 -0.00 0.49 -0.34 0.00 0.00 178.44 178.72 3ag3 n PHE 12 N -5.01 0.00 0.84 1.25 3.01 -0.06 -2.42 117.46 115.07 3ag3 n PHE 12 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.56 3ag3 n PHE 12 Cb 0.11 -0.35 -0.00 0.00 -0.01 0.00 0.00 39.48 39.23 3ag3 n PHE 12 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3ag3 n GLN 13 N -1.35 1.48 -1.59 -1.08 6.02 -0.28 -5.00 117.38 115.58 3ag3 n GLN 13 Ca 0.12 -0.90 -0.49 0.00 -0.01 0.00 0.00 57.00 55.72 3ag3 n GLN 13 Cb 0.27 -1.36 -0.04 0.00 1.02 0.00 0.00 30.24 30.13 3ag3 n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3ag3 n GLU 14 N -0.06 1.30 -2.56 -1.09 2.13 -0.85 -4.86 120.64 114.64 3ag3 n GLU 14 Ca 0.08 0.46 -0.43 0.00 0.66 0.00 0.00 57.16 57.93 3ag3 n GLU 14 Cb 0.40 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.10 3ag3 n GLU 14 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3ag3 n ASP 15 N 2.15 4.91 -0.02 4.31 4.64 -1.26 -4.55 116.55 126.73 3ag3 n ASP 15 Ca 0.15 -2.95 0.00 0.00 -1.38 0.00 0.00 54.79 50.61 3ag3 n ASP 15 Cb 0.25 -1.64 0.00 0.00 -1.04 0.00 0.00 41.12 38.69 3ag3 n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3ag3 n ASN 16 N 6.54 1.85 0.00 1.67 0.23 -1.26 -5.00 115.26 119.29 3ag3 n ASN 16 Ca 0.44 -1.83 0.00 0.00 -0.53 0.00 0.00 54.58 52.66 3ag3 n ASN 16 Cb 0.43 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 3ag3 n ASN 16 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ag3 n GLY 17 N -0.39 0.25 3.79 4.83 0.00 -1.26 -5.00 105.19 107.41 3ag3 n GLY 17 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3ag3 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag3 s LEU 18 N 0.00 4.26 0.67 0.99 1.43 -1.26 -5.03 118.68 119.74 3ag3 s LEU 18 Ca 0.00 1.85 -0.10 0.00 -1.03 0.00 0.00 54.13 54.85 3ag3 s LEU 18 Cb 0.00 -4.10 0.01 0.00 0.03 0.00 0.00 46.19 42.13 3ag3 s LEU 18 CO 0.00 -0.17 1.04 -2.16 0.23 0.00 0.00 176.35 175.29 3ag3 s PRO 19 N -2.26 2.86 0.57 1.29 0.04 -1.26 -4.80 135.00 131.44 3ag3 s PRO 19 Ca 0.53 0.32 0.27 0.00 0.04 0.00 0.00 61.00 62.16 3ag3 s PRO 19 Cb -0.18 -2.09 1.69 0.00 0.04 0.00 0.00 34.50 33.96 3ag3 s PRO 19 CO 0.23 -0.95 2.21 -0.24 0.04 0.00 0.00 177.00 178.30 3ag3 h VAL 20 N -0.52 0.61 0.00 -0.36 3.04 -1.98 0.10 116.25 117.14 3ag3 h VAL 20 Ca -0.45 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 3ag3 h VAL 20 Cb 1.26 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 3ag3 h VAL 20 CO 0.63 0.02 0.00 0.00 -1.01 0.00 0.00 177.57 177.21 3ag3 n HIS 21 N -3.92 0.00 0.01 3.17 1.44 -1.26 -2.84 115.22 111.82 3ag3 n HIS 21 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 3ag3 n HIS 21 Cb 0.11 -0.31 0.00 0.00 0.12 0.00 0.00 29.99 29.91 3ag3 n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3ag3 n LEU 22 N -1.31 1.32 0.03 2.39 4.77 0.31 -4.77 117.00 119.74 3ag3 n LEU 22 Ca 0.13 -1.30 0.12 0.00 -0.03 0.00 0.00 56.01 54.93 3ag3 n LEU 22 Cb 0.23 -0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.82 3ag3 n LEU 22 CO 0.22 0.33 0.89 1.17 -1.33 0.00 0.00 177.39 178.66 3ag3 n LYS 23 N -0.13 0.07 0.07 3.23 4.81 -0.95 -2.45 118.16 122.81 3ag3 n LYS 23 Ca 0.00 0.13 0.13 0.00 -0.87 0.00 0.00 58.31 57.70 3ag3 n LYS 23 Cb 0.08 -1.59 0.32 0.00 0.02 0.00 0.00 35.03 33.86 3ag3 n LYS 23 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ag3 n GLY 24 N 1.00 -1.53 0.00 3.14 0.00 -1.26 -4.83 105.19 101.71 3ag3 n GLY 24 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3ag3 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 25 N 1.36 0.53 0.26 -0.02 0.00 -1.02 -4.84 105.19 101.45 3ag3 n GLY 25 Ca 0.05 -2.17 0.05 0.00 0.00 0.00 0.00 46.02 43.95 3ag3 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag3 h ALA 26 N 0.00 1.71 -0.28 4.61 0.00 -1.96 -0.18 119.26 123.16 3ag3 h ALA 26 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ag3 h ALA 26 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ag3 h ALA 26 CO 0.00 0.22 0.18 1.15 0.00 0.00 0.00 179.25 180.81 3ag3 h THR 27 N 0.23 1.04 -0.59 0.00 2.02 -1.96 -1.99 112.91 111.68 3ag3 h THR 27 Ca 0.06 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 3ag3 h THR 27 Cb 0.15 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3ag3 h THR 27 CO 0.00 0.06 0.06 0.44 0.37 0.00 0.00 175.52 176.45 3ag3 h ASP 28 N 0.33 0.97 -0.54 4.18 5.19 -1.34 -0.96 116.42 124.25 3ag3 h ASP 28 Ca 0.11 -0.28 -0.08 0.00 -0.62 0.00 0.00 57.03 56.16 3ag3 h ASP 28 Cb 0.02 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 3ag3 h ASP 28 CO -0.02 1.00 0.02 0.78 -3.12 0.00 0.00 179.24 177.91 3ag3 h ASN 29 N 0.90 0.91 0.12 6.45 2.35 -1.35 0.78 115.58 125.72 3ag3 h ASN 29 Ca 0.17 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3ag3 h ASN 29 Cb 0.47 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3ag3 h ASN 29 CO 0.02 0.98 -0.11 0.40 -1.65 0.00 0.00 177.43 177.06 3ag3 h ILE 30 N 0.81 0.74 -0.78 2.81 2.04 -1.02 -0.28 117.51 121.83 3ag3 h ILE 30 Ca 0.15 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 3ag3 h ILE 30 Cb 0.50 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3ag3 h ILE 30 CO 0.02 0.00 0.39 0.25 0.00 0.00 0.00 178.15 178.81 3ag3 h LEU 31 N -0.25 1.00 -0.35 1.44 5.85 -0.99 0.07 115.31 122.08 3ag3 h LEU 31 Ca 0.00 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3ag3 h LEU 31 Cb 0.24 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3ag3 h LEU 31 CO -0.03 0.83 0.15 0.22 -0.34 0.00 0.00 178.44 179.27 3ag3 h TYR 32 N 1.10 0.52 -0.21 1.25 3.20 -0.62 -0.19 116.97 122.03 3ag3 h TYR 32 Ca 0.27 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.99 3ag3 h TYR 32 Cb 0.09 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3ag3 h TYR 32 CO 0.01 0.47 -0.36 0.00 -1.64 0.00 0.00 178.16 176.64 3ag3 h ARG 33 N 0.42 0.45 -0.40 1.82 3.08 -0.37 0.28 114.38 119.66 3ag3 h ARG 33 Ca 0.12 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 3ag3 h ARG 33 Cb 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3ag3 h ARG 33 CO -0.01 0.75 -0.02 0.28 -1.07 0.00 0.00 179.97 179.89 3ag3 h VAL 34 N 0.38 1.27 0.24 2.04 2.07 -0.71 -0.59 116.25 120.94 3ag3 h VAL 34 Ca 0.04 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3ag3 h VAL 34 Cb 0.81 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3ag3 h VAL 34 CO 0.07 0.36 -0.12 0.74 0.02 0.00 0.00 177.57 178.64 3ag3 h THR 35 N 0.54 0.77 -0.83 2.57 2.02 -0.61 -1.38 112.91 115.98 3ag3 h THR 35 Ca 0.11 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.29 3ag3 h THR 35 Cb 0.51 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 3ag3 h THR 35 CO 0.03 0.01 0.53 -0.03 0.37 0.00 0.00 175.52 176.42 3ag3 h MET 36 N -0.35 0.98 -0.43 6.66 -1.53 -0.96 -0.14 114.93 119.16 3ag3 h MET 36 Ca -0.03 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.15 3ag3 h MET 36 Cb 0.27 -0.22 -0.02 0.00 -0.55 0.00 0.00 31.60 31.07 3ag3 h MET 36 CO 0.05 0.65 0.21 1.15 0.14 0.00 0.00 176.91 179.12 3ag3 h THR 37 N 1.01 1.18 -0.68 -0.77 2.02 -0.89 -0.76 112.91 114.01 3ag3 h THR 37 Ca 0.34 -0.49 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 3ag3 h THR 37 Cb 0.05 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3ag3 h THR 37 CO -0.13 0.19 0.16 -0.07 0.37 0.00 0.00 175.52 176.04 3ag3 h LEU 38 N 0.56 1.04 -0.05 2.58 3.38 -1.04 0.36 115.31 122.15 3ag3 h LEU 38 Ca 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ag3 h LEU 38 Cb 0.11 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3ag3 h LEU 38 CO -0.02 1.01 0.01 0.00 0.09 0.00 0.00 178.44 179.53 3ag3 h LEU 40 N -0.17 0.56 -0.28 0.00 3.38 -1.14 0.08 115.31 117.74 3ag3 h LEU 40 Ca 0.01 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3ag3 h LEU 40 Cb 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3ag3 h LEU 40 CO 0.00 0.76 0.05 1.23 0.09 0.00 0.00 178.44 180.57 3ag3 h GLY 41 N 0.35 0.50 0.78 0.83 0.00 -0.99 -1.17 103.07 103.37 3ag3 h GLY 41 Ca 0.08 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.13 3ag3 h GLY 41 CO 0.02 0.30 0.36 -1.33 0.00 0.00 0.00 176.54 175.90 3ag3 h GLY 42 N 0.28 0.90 1.08 4.60 0.00 -0.71 -0.40 103.07 108.83 3ag3 h GLY 42 Ca 0.09 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 3ag3 h GLY 42 CO 0.00 0.19 0.01 -0.84 0.00 0.00 0.00 176.54 175.90 3ag3 h THR 43 N 0.69 1.27 -0.35 4.70 2.02 -0.61 0.41 112.91 121.04 3ag3 h THR 43 Ca 0.27 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.30 3ag3 h THR 43 Cb 0.10 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3ag3 h THR 43 CO -0.14 0.42 0.23 -0.07 0.37 0.00 0.00 175.52 176.33 3ag3 h LEU 44 N 0.98 0.39 -0.90 2.58 3.38 -1.10 0.18 115.31 120.81 3ag3 h LEU 44 Ca 0.17 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.24 3ag3 h LEU 44 Cb 0.55 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 3ag3 h LEU 44 CO 0.03 0.28 0.54 0.22 0.09 0.00 0.00 178.44 179.60 3ag3 h TYR 45 N 0.47 0.98 -0.81 1.13 3.20 -0.72 -0.31 116.97 120.90 3ag3 h TYR 45 Ca 0.13 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 3ag3 h TYR 45 Cb -0.05 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 37.88 3ag3 h TYR 45 CO -0.05 0.39 0.36 0.66 -1.64 0.00 0.00 178.16 177.88 3ag3 h SER 46 N 0.87 1.09 -0.99 -2.11 4.64 -0.28 0.66 113.55 117.43 3ag3 h SER 46 Ca 0.44 -0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.62 3ag3 h SER 46 Cb 0.43 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.19 3ag3 h SER 46 CO -0.26 0.94 0.64 -0.07 -0.87 0.00 0.00 176.83 177.21 3ag3 h LEU 47 N 1.17 1.14 -0.68 5.97 3.38 0.07 -0.58 115.31 125.78 3ag3 h LEU 47 Ca 0.28 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3ag3 h LEU 47 Cb 0.16 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3ag3 h LEU 47 CO -0.03 0.84 0.35 0.22 0.09 0.00 0.00 178.44 179.91 3ag3 h TYR 48 N 1.34 0.95 -0.42 1.13 3.20 -0.48 -0.97 116.97 121.72 3ag3 h TYR 48 Ca 0.36 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 3ag3 h TYR 48 Cb -0.14 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.81 3ag3 h TYR 48 CO 0.00 0.69 0.03 0.00 -1.64 0.00 0.00 178.16 177.24 3ag3 h LEU 50 N 0.63 -0.14 -0.60 0.00 6.46 -0.71 0.18 115.31 121.14 3ag3 h LEU 50 Ca 0.13 -0.09 0.07 0.00 -0.12 0.00 0.00 57.88 57.88 3ag3 h LEU 50 Cb 0.36 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 3ag3 h LEU 50 CO 0.01 -0.00 0.27 1.23 -0.62 0.00 0.00 178.44 179.33 3ag3 h GLY 51 N -0.27 0.85 0.83 3.75 0.00 -0.90 -0.44 103.07 106.89 3ag3 h GLY 51 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3ag3 h GLY 51 CO 0.03 0.05 0.03 -0.25 0.00 0.00 0.00 176.54 176.40 3ag3 h TRP 52 N 0.50 0.15 0.00 5.60 7.01 -0.90 -2.89 115.95 125.41 3ag3 h TRP 52 Ca 0.29 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.27 3ag3 h TRP 52 Cb 0.28 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.29 3ag3 h TRP 52 CO -0.13 0.29 0.00 0.00 -2.79 0.00 0.00 178.44 175.81 3ag3 n ALA 53 N -2.22 1.63 0.68 2.65 0.00 0.62 -3.31 120.51 120.56 3ag3 n ALA 53 Ca -0.06 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.53 3ag3 n ALA 53 Cb 0.13 -1.32 0.46 0.00 0.00 0.00 0.00 19.45 18.73 3ag3 n ALA 53 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ag3 n SER 54 N -1.93 0.24 -4.33 0.00 7.64 -0.21 -4.81 113.62 110.22 3ag3 n SER 54 Ca 0.03 0.54 -0.24 0.00 1.01 0.00 0.00 58.87 60.20 3ag3 n SER 54 Cb 0.20 -0.60 -0.12 0.00 -1.01 0.00 0.00 64.21 62.68 3ag3 n SER 54 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3ag3 s PHE 55 N -3.07 1.91 0.47 1.43 0.08 -1.21 -5.11 117.98 112.48 3ag3 s PHE 55 Ca 0.10 -0.42 -0.23 0.00 0.12 0.00 0.00 56.93 56.50 3ag3 s PHE 55 Cb 0.13 -1.00 -0.07 0.00 -0.57 0.00 0.00 43.02 41.51 3ag3 s PHE 55 CO 0.43 0.29 1.16 -2.14 -0.10 0.00 0.00 175.22 174.86 3ag3 s PRO 56 N -2.29 3.73 -0.01 0.24 0.02 -1.26 -4.98 135.00 130.45 3ag3 s PRO 56 Ca 0.12 1.75 0.18 0.00 0.02 0.00 0.00 61.00 63.06 3ag3 s PRO 56 Cb -0.08 -2.37 -0.22 0.00 0.02 0.00 0.00 34.50 31.85 3ag3 s PRO 56 CO 0.06 -0.57 0.63 0.72 -0.33 0.00 0.00 177.00 177.50 3ag3 n HIS 57 N -0.55 0.00 -0.56 6.54 8.25 -1.26 -5.15 115.22 122.48 3ag3 n HIS 57 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3ag3 n HIS 57 Cb 0.48 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3ag3 n HIS 57 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61