#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 s GLU 2 N 0.00 1.75 -0.66 -1.08 2.02 -1.26 -5.08 118.70 114.40 3ag4 s GLU 2 Ca 0.00 -1.40 -0.27 0.00 0.02 0.00 0.00 54.97 53.32 3ag4 s GLU 2 Cb 0.00 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 32.26 3ag4 s GLU 2 CO 0.00 0.42 1.36 1.21 0.02 0.00 0.00 175.26 178.26 3ag4 s ASN 3 N -2.70 6.11 -0.25 -0.19 3.84 -1.26 -4.85 114.94 115.64 3ag4 s ASN 3 Ca 0.22 -0.10 0.13 0.00 0.21 0.00 0.00 52.86 53.33 3ag4 s ASN 3 Cb -0.08 -2.55 0.76 0.00 -0.55 0.00 0.00 41.25 38.82 3ag4 s ASN 3 CO 0.12 -1.80 1.72 0.54 -2.79 0.00 0.00 177.10 174.88 3ag4 n ARG 4 N 9.03 4.28 -0.29 0.43 5.12 -1.26 -4.68 116.66 129.28 3ag4 n ARG 4 Ca 0.08 -3.11 -0.04 0.00 -1.93 0.00 0.00 57.85 52.86 3ag4 n ARG 4 Cb 0.49 -2.19 0.08 0.00 -1.16 0.00 0.00 32.46 29.68 3ag4 n ARG 4 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3ag4 h VAL 5 N 3.29 1.18 -1.00 1.55 2.07 -2.00 -2.52 116.25 118.82 3ag4 h VAL 5 Ca 0.07 -0.36 0.21 0.00 0.82 0.00 0.00 66.70 67.43 3ag4 h VAL 5 Cb 1.99 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 31.68 3ag4 h VAL 5 CO 0.52 0.19 0.61 0.00 0.02 0.00 0.00 177.57 178.91 3ag4 h ALA 6 N 1.31 1.75 -0.39 1.67 0.00 -1.99 0.24 119.26 121.85 3ag4 h ALA 6 Ca 0.30 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.15 3ag4 h ALA 6 Cb -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ag4 h ALA 6 CO -0.08 -0.15 -0.34 0.93 0.00 0.00 0.00 179.25 179.62 3ag4 h GLU 7 N 0.69 0.91 -0.12 0.00 5.08 -1.81 -2.14 114.58 117.18 3ag4 h GLU 7 Ca 0.59 -0.47 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 3ag4 h GLU 7 Cb 1.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3ag4 h GLU 7 CO -0.39 1.12 -0.46 0.87 -1.00 0.00 0.00 179.01 179.15 3ag4 h LYS 8 N 0.73 0.30 -0.34 2.33 1.79 -1.05 -1.42 116.57 118.91 3ag4 h LYS 8 Ca 0.07 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 3ag4 h LYS 8 Cb 0.93 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.57 3ag4 h LYS 8 CO 0.09 0.70 0.19 1.96 -1.08 0.00 0.00 179.45 181.30 3ag4 h GLN 9 N 0.24 0.47 -0.03 3.15 4.20 -0.39 0.13 115.11 122.88 3ag4 h GLN 9 Ca 0.02 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.68 3ag4 h GLN 9 Cb 0.90 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 3ag4 h GLN 9 CO 0.07 0.39 -0.04 -0.22 -0.67 0.00 0.00 178.83 178.37 3ag4 h LYS 10 N 0.43 -0.05 -0.16 1.46 3.64 -1.29 -1.33 116.57 119.27 3ag4 h LYS 10 Ca 0.12 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3ag4 h LYS 10 Cb 0.06 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3ag4 h LYS 10 CO -0.02 -0.03 0.06 1.25 -2.27 0.00 0.00 179.45 178.44 3ag4 h LEU 11 N -0.05 0.08 0.00 5.20 5.85 -0.98 -2.15 115.31 123.25 3ag4 h LEU 11 Ca 0.03 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ag4 h LEU 11 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3ag4 h LEU 11 CO -0.06 0.07 0.00 0.49 -0.34 0.00 0.00 178.44 178.60 3ag4 n PHE 12 N -5.04 0.00 0.99 1.25 3.01 0.43 -2.47 117.46 115.63 3ag4 n PHE 12 Ca -0.04 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.54 3ag4 n PHE 12 Cb 0.06 -0.44 0.04 0.00 -0.01 0.00 0.00 39.48 39.13 3ag4 n PHE 12 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3ag4 n GLN 13 N -1.44 1.70 -1.64 -1.08 6.02 -0.51 -5.00 117.38 115.44 3ag4 n GLN 13 Ca 0.08 -1.40 -0.50 0.00 -0.01 0.00 0.00 57.00 55.17 3ag4 n GLN 13 Cb 0.27 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.01 3ag4 n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3ag4 n GLU 14 N 0.58 1.60 -2.68 -1.09 2.13 -0.83 -4.82 120.64 115.52 3ag4 n GLU 14 Ca 0.11 0.58 -0.42 0.00 0.66 0.00 0.00 57.16 58.09 3ag4 n GLU 14 Cb 0.52 -2.29 -0.03 0.00 0.27 0.00 0.00 31.44 29.92 3ag4 n GLU 14 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3ag4 s ASP 15 N 1.16 6.56 0.00 4.31 3.68 -1.26 -4.54 116.67 126.58 3ag4 s ASP 15 Ca 0.84 -1.68 0.00 0.00 2.13 0.00 0.00 52.55 53.84 3ag4 s ASP 15 Cb -0.84 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.11 3ag4 s ASP 15 CO 0.45 -1.35 0.73 -0.46 0.13 0.00 0.00 175.17 174.67 3ag4 n ASN 16 N 8.12 1.08 0.00 -0.34 0.23 -1.26 -5.01 115.26 118.07 3ag4 n ASN 16 Ca 0.31 -1.50 0.00 0.00 -0.53 0.00 0.00 54.58 52.85 3ag4 n ASN 16 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 3ag4 n ASN 16 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ag4 n GLY 17 N -0.25 1.22 3.74 4.83 0.00 -1.26 -4.99 105.19 108.47 3ag4 n GLY 17 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3ag4 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag4 s LEU 18 N 0.00 4.53 0.63 0.99 1.43 -1.26 -5.03 118.68 119.98 3ag4 s LEU 18 Ca 0.00 2.02 -0.16 0.00 -1.03 0.00 0.00 54.13 54.96 3ag4 s LEU 18 Cb 0.00 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 3ag4 s LEU 18 CO 0.00 -0.10 1.10 -2.16 0.23 0.00 0.00 176.35 175.42 3ag4 s PRO 19 N -0.56 2.97 0.49 1.29 0.04 -1.26 -4.79 135.00 133.17 3ag4 s PRO 19 Ca 0.47 1.37 0.15 0.00 0.04 0.00 0.00 61.00 63.02 3ag4 s PRO 19 Cb -0.28 -1.97 1.19 0.00 0.04 0.00 0.00 34.50 33.48 3ag4 s PRO 19 CO 0.34 -1.12 2.10 -0.24 0.04 0.00 0.00 177.00 178.12 3ag4 h VAL 20 N 0.22 0.98 0.00 -0.36 3.04 -1.98 -0.71 116.25 117.45 3ag4 h VAL 20 Ca -0.47 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 3ag4 h VAL 20 Cb 1.24 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 3ag4 h VAL 20 CO 0.55 0.03 0.00 0.00 -1.01 0.00 0.00 177.57 177.14 3ag4 n HIS 21 N -4.50 0.00 -0.11 3.17 1.44 -1.26 -2.62 115.22 111.34 3ag4 n HIS 21 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 3ag4 n HIS 21 Cb 0.16 -0.44 0.00 0.00 0.12 0.00 0.00 29.99 29.84 3ag4 n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3ag4 n LEU 22 N -1.44 0.65 0.00 2.39 4.77 -0.31 -4.81 117.00 118.25 3ag4 n LEU 22 Ca 0.04 -0.75 0.12 0.00 -0.03 0.00 0.00 56.01 55.39 3ag4 n LEU 22 Cb 0.14 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 41.88 3ag4 n LEU 22 CO 0.12 0.16 0.92 1.17 -1.33 0.00 0.00 177.39 178.44 3ag4 n LYS 23 N -0.21 0.41 0.11 3.23 4.81 -0.97 -2.76 118.16 122.78 3ag4 n LYS 23 Ca 0.00 0.04 0.12 0.00 -0.87 0.00 0.00 58.31 57.60 3ag4 n LYS 23 Cb 0.03 -1.50 0.19 0.00 0.02 0.00 0.00 35.03 33.76 3ag4 n LYS 23 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3ag4 h GLY 24 N 4.17 0.00 0.00 3.14 0.00 -1.87 -3.44 103.07 105.06 3ag4 h GLY 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ag4 h GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3ag4 n GLY 25 N 1.26 0.74 0.24 4.60 0.00 -1.11 -4.85 105.19 106.07 3ag4 n GLY 25 Ca 0.03 -2.02 -0.01 0.00 0.00 0.00 0.00 46.02 44.02 3ag4 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag4 h ALA 26 N 0.00 1.24 -0.89 4.61 0.00 -1.97 -2.47 119.26 119.77 3ag4 h ALA 26 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ag4 h ALA 26 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3ag4 h ALA 26 CO 0.00 0.50 0.56 1.15 0.00 0.00 0.00 179.25 181.45 3ag4 h THR 27 N 0.40 1.24 -0.54 0.00 2.02 -1.96 -1.56 112.91 112.50 3ag4 h THR 27 Ca 0.07 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 3ag4 h THR 27 Cb 0.54 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3ag4 h THR 27 CO 0.04 0.24 0.31 0.44 0.37 0.00 0.00 175.52 176.92 3ag4 h ASP 28 N 1.22 0.65 -0.40 4.18 3.32 -1.77 -0.45 116.42 123.17 3ag4 h ASP 28 Ca 0.32 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.20 3ag4 h ASP 28 Cb -0.09 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3ag4 h ASP 28 CO -0.06 0.51 -0.26 0.78 -1.72 0.00 0.00 179.24 178.49 3ag4 h ASN 29 N 0.74 0.92 0.25 6.45 2.35 -1.31 -0.38 115.58 124.61 3ag4 h ASN 29 Ca 0.19 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 3ag4 h ASN 29 Cb -0.00 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.12 3ag4 h ASN 29 CO -0.03 1.15 -0.12 0.40 -1.65 0.00 0.00 177.43 177.17 3ag4 h ILE 30 N 0.69 0.80 -0.59 2.81 2.04 -1.18 0.14 117.51 122.23 3ag4 h ILE 30 Ca 0.08 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.47 3ag4 h ILE 30 Cb 0.83 1.12 -0.08 0.00 -0.74 0.00 0.00 36.82 37.95 3ag4 h ILE 30 CO 0.07 0.12 0.17 0.25 0.00 0.00 0.00 178.15 178.76 3ag4 h LEU 31 N -0.64 0.10 -0.33 1.44 5.85 -1.09 0.62 115.31 121.26 3ag4 h LEU 31 Ca -0.03 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3ag4 h LEU 31 Cb 0.45 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3ag4 h LEU 31 CO 0.06 0.06 0.20 0.22 -0.34 0.00 0.00 178.44 178.64 3ag4 h TYR 32 N 0.32 0.38 -0.16 1.25 3.20 -0.78 -0.97 116.97 120.22 3ag4 h TYR 32 Ca 0.30 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 62.05 3ag4 h TYR 32 Cb 0.42 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3ag4 h TYR 32 CO -0.21 0.23 -0.49 0.00 -1.64 0.00 0.00 178.16 176.05 3ag4 h ARG 33 N 0.41 0.43 -0.25 1.82 3.08 -0.11 0.05 114.38 119.82 3ag4 h ARG 33 Ca 0.13 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.96 3ag4 h ARG 33 Cb -0.02 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3ag4 h ARG 33 CO -0.05 0.83 0.07 0.28 -1.07 0.00 0.00 179.97 180.03 3ag4 h VAL 34 N 0.34 0.92 0.06 2.04 2.07 -0.70 -0.60 116.25 120.38 3ag4 h VAL 34 Ca 0.02 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3ag4 h VAL 34 Cb 0.99 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3ag4 h VAL 34 CO 0.09 0.03 -0.03 0.74 0.02 0.00 0.00 177.57 178.42 3ag4 h THR 35 N 0.18 1.02 -0.64 2.57 2.02 -0.65 0.17 112.91 117.57 3ag4 h THR 35 Ca 0.11 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 3ag4 h THR 35 Cb 0.09 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3ag4 h THR 35 CO -0.13 0.06 0.15 -0.03 0.37 0.00 0.00 175.52 175.95 3ag4 h MET 36 N -0.20 1.01 -0.18 6.66 -1.53 -1.01 -0.60 114.93 119.09 3ag4 h MET 36 Ca -0.01 -0.23 -0.08 0.00 -3.44 0.00 0.00 59.70 55.94 3ag4 h MET 36 Cb 0.17 -0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 31.08 3ag4 h MET 36 CO 0.01 0.90 -0.20 1.15 0.14 0.00 0.00 176.91 178.91 3ag4 h THR 37 N 0.96 1.34 -0.59 -0.77 2.02 -0.79 0.26 112.91 115.34 3ag4 h THR 37 Ca 0.20 -1.37 0.08 0.00 0.77 0.00 0.00 66.41 66.09 3ag4 h THR 37 Cb 0.35 1.81 -0.07 0.00 -1.74 0.00 0.00 68.15 68.51 3ag4 h THR 37 CO 0.00 0.41 0.24 -0.07 0.37 0.00 0.00 175.52 176.47 3ag4 h LEU 38 N 0.11 0.27 -0.28 2.58 3.38 -0.48 0.12 115.31 121.00 3ag4 h LEU 38 Ca 0.03 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3ag4 h LEU 38 Cb 0.74 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3ag4 h LEU 38 CO 0.05 0.17 -0.19 0.00 0.09 0.00 0.00 178.44 178.55 3ag4 h LEU 40 N 0.37 0.87 0.34 0.00 3.38 -0.73 -0.37 115.31 119.18 3ag4 h LEU 40 Ca 0.06 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 3ag4 h LEU 40 Cb 0.73 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ag4 h LEU 40 CO 0.05 1.27 -0.16 1.23 0.09 0.00 0.00 178.44 180.91 3ag4 h GLY 41 N 0.50 -0.48 -0.52 0.83 0.00 -0.84 -1.57 103.07 101.00 3ag4 h GLY 41 Ca -0.00 0.18 0.17 0.00 0.00 0.00 0.00 47.33 47.68 3ag4 h GLY 41 CO 0.12 -0.17 -0.10 -1.33 0.00 0.00 0.00 176.54 175.06 3ag4 h GLY 42 N -0.67 0.74 1.49 4.60 0.00 -1.11 0.39 103.07 108.51 3ag4 h GLY 42 Ca -0.05 0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 3ag4 h GLY 42 CO 0.08 -0.31 -0.18 -0.84 0.00 0.00 0.00 176.54 175.29 3ag4 h THR 43 N 0.04 1.26 -0.22 4.70 2.02 -0.92 0.23 112.91 120.02 3ag4 h THR 43 Ca 0.41 -1.19 -0.20 0.00 0.77 0.00 0.00 66.41 66.20 3ag4 h THR 43 Cb 0.69 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3ag4 h THR 43 CO -0.76 0.39 -0.65 -0.07 0.37 0.00 0.00 175.52 174.80 3ag4 h LEU 44 N 0.54 0.91 -0.76 2.58 3.38 -0.13 -2.12 115.31 119.70 3ag4 h LEU 44 Ca 0.09 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 57.58 3ag4 h LEU 44 Cb 0.61 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3ag4 h LEU 44 CO 0.04 1.32 0.46 0.22 0.09 0.00 0.00 178.44 180.57 3ag4 h TYR 45 N 0.58 0.84 -0.95 1.13 3.20 0.09 -0.09 116.97 121.77 3ag4 h TYR 45 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 3ag4 h TYR 45 Cb 1.26 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 39.21 3ag4 h TYR 45 CO 0.07 0.42 0.58 0.66 -1.64 0.00 0.00 178.16 178.26 3ag4 h SER 46 N 0.84 1.12 -0.64 -2.11 4.64 -0.35 0.96 113.55 118.02 3ag4 h SER 46 Ca 0.33 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.57 3ag4 h SER 46 Cb 0.16 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 3ag4 h SER 46 CO -0.17 0.85 0.29 -0.07 -0.87 0.00 0.00 176.83 176.86 3ag4 h LEU 47 N 1.30 0.86 -0.20 5.97 3.38 -0.67 0.15 115.31 126.09 3ag4 h LEU 47 Ca 0.34 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.19 3ag4 h LEU 47 Cb -0.08 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3ag4 h LEU 47 CO -0.07 0.77 0.03 0.22 0.09 0.00 0.00 178.44 179.48 3ag4 h TYR 48 N 0.89 0.04 -0.75 1.13 3.20 -0.40 -0.33 116.97 120.75 3ag4 h TYR 48 Ca 0.22 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.18 3ag4 h TYR 48 Cb 0.15 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.37 3ag4 h TYR 48 CO 0.01 0.00 0.42 0.00 -1.64 0.00 0.00 178.16 176.95 3ag4 h LEU 50 N 0.73 -0.24 -1.59 0.00 6.46 -0.34 0.51 115.31 120.84 3ag4 h LEU 50 Ca 0.35 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.18 3ag4 h LEU 50 Cb 0.29 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 3ag4 h LEU 50 CO -0.22 -0.09 0.20 1.23 -0.62 0.00 0.00 178.44 178.93 3ag4 h GLY 51 N -0.02 0.50 0.56 3.75 0.00 -0.28 0.12 103.07 107.69 3ag4 h GLY 51 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3ag4 h GLY 51 CO -0.24 0.20 -0.00 -0.25 0.00 0.00 0.00 176.54 176.25 3ag4 h TRP 52 N 0.48 0.01 0.00 5.60 7.01 -0.51 -3.20 115.95 125.33 3ag4 h TRP 52 Ca 0.12 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.12 3ag4 h TRP 52 Cb 0.00 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.06 3ag4 h TRP 52 CO 0.00 0.45 0.00 0.00 -2.79 0.00 0.00 178.44 176.10 3ag4 h ALA 53 N 0.56 1.00 0.00 2.65 0.00 -0.25 -3.08 119.26 120.14 3ag4 h ALA 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ag4 h ALA 53 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ag4 h ALA 53 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.02 3ag4 h SER 54 N 0.00 0.00 -3.86 0.00 0.02 -0.78 -3.44 113.55 105.49 3ag4 h SER 54 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 3ag4 h SER 54 Cb 0.53 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.87 3ag4 h SER 54 CO 0.00 0.00 -0.80 -0.36 -1.14 0.00 0.00 176.83 174.53 3ag4 s PHE 55 N -3.53 2.56 0.36 3.45 0.08 -1.16 -5.11 117.98 114.63 3ag4 s PHE 55 Ca 0.03 -0.25 -0.27 0.00 0.12 0.00 0.00 56.93 56.56 3ag4 s PHE 55 Cb 0.08 -1.42 -0.09 0.00 -0.57 0.00 0.00 43.02 41.02 3ag4 s PHE 55 CO 0.57 0.31 1.21 -1.25 -0.10 0.00 0.00 175.22 175.96 3ag4 s PRO 56 N -1.74 4.23 -0.82 0.24 0.04 -1.26 -4.98 135.00 130.72 3ag4 s PRO 56 Ca 0.16 1.97 0.02 0.00 0.04 0.00 0.00 61.00 63.19 3ag4 s PRO 56 Cb -0.11 -2.88 0.27 0.00 0.04 0.00 0.00 34.50 31.82 3ag4 s PRO 56 CO 0.07 -0.20 1.00 0.72 0.04 0.00 0.00 177.00 178.64 3ag4 n HIS 57 N 0.48 3.22 0.00 0.56 8.25 -1.26 -5.16 115.22 121.31 3ag4 n HIS 57 Ca 0.02 -3.61 0.00 0.00 -0.26 0.00 0.00 57.72 53.87 3ag4 n HIS 57 Cb 0.45 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.70 3ag4 n HIS 57 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61