#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 2.56 -0.61 -1.08 2.02 -1.26 -5.07 118.70 115.27 3ag4 s GLU 2 Ca 0.00 -1.29 -0.24 0.00 0.02 0.00 0.00 54.97 53.46 3ag4 s GLU 2 Cb 0.00 -2.33 0.05 0.00 0.10 0.00 0.00 34.13 31.95 3ag4 s GLU 2 CO 0.00 0.33 0.97 1.21 0.02 0.00 0.00 175.26 177.79 3ag4 s ASN 3 N -3.78 6.25 -0.39 -0.19 3.84 -1.26 -4.84 114.94 114.58 3ag4 s ASN 3 Ca 0.33 -0.65 0.06 0.00 0.21 0.00 0.00 52.86 52.82 3ag4 s ASN 3 Cb -0.06 -2.43 0.63 0.00 -0.55 0.00 0.00 41.25 38.84 3ag4 s ASN 3 CO 0.22 -1.36 1.78 0.54 -2.79 0.00 0.00 177.10 175.50 3ag4 n ARG 4 N 7.67 2.32 -0.33 0.43 1.74 -1.26 -4.64 116.66 122.60 3ag4 n ARG 4 Ca -0.01 -3.07 0.04 0.00 -0.77 0.00 0.00 57.85 54.04 3ag4 n ARG 4 Cb 0.47 -2.08 0.19 0.00 -1.02 0.00 0.00 32.46 30.01 3ag4 n ARG 4 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ag4 h VAL 5 N 1.21 0.97 -0.27 1.55 2.07 -2.01 -2.98 116.25 116.78 3ag4 h VAL 5 Ca 0.48 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 3ag4 h VAL 5 Cb 2.47 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 3ag4 h VAL 5 CO 0.86 0.17 0.10 0.00 0.02 0.00 0.00 177.57 178.72 3ag4 h ALA 6 N 1.47 1.67 0.06 1.67 0.00 -1.99 0.18 119.26 122.32 3ag4 h ALA 6 Ca 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3ag4 h ALA 6 Cb 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ag4 h ALA 6 CO -0.23 0.27 -0.03 0.93 0.00 0.00 0.00 179.25 180.19 3ag4 h GLU 7 N 0.38 -0.08 -0.72 0.00 5.08 -1.89 -0.30 114.58 117.04 3ag4 h GLU 7 Ca 0.09 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 3ag4 h GLU 7 Cb 0.10 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 3ag4 h GLU 7 CO -0.01 0.34 0.36 0.87 -1.00 0.00 0.00 179.01 179.58 3ag4 h LYS 8 N -0.54 0.60 -0.41 2.33 1.79 -1.33 0.48 116.57 119.48 3ag4 h LYS 8 Ca -0.01 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3ag4 h LYS 8 Cb 0.47 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 3ag4 h LYS 8 CO 0.01 0.40 0.25 1.96 -1.08 0.00 0.00 179.45 180.99 3ag4 h GLN 9 N 0.61 0.56 -0.23 3.15 4.20 -0.46 0.18 115.11 123.12 3ag4 h GLN 9 Ca 0.36 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 59.04 3ag4 h GLN 9 Cb 0.37 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 3ag4 h GLN 9 CO -0.27 0.41 0.06 -0.22 -0.67 0.00 0.00 178.83 178.14 3ag4 h LYS 10 N 0.54 0.15 -0.53 1.46 3.64 -0.47 -1.84 116.57 119.52 3ag4 h LYS 10 Ca 0.15 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3ag4 h LYS 10 Cb -0.00 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3ag4 h LYS 10 CO -0.03 0.10 0.32 1.25 -2.27 0.00 0.00 179.45 178.82 3ag4 h LEU 11 N 0.16 0.52 0.00 5.20 5.85 -0.30 -2.76 115.31 123.97 3ag4 h LEU 11 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3ag4 h LEU 11 Cb 0.09 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3ag4 h LEU 11 CO -0.13 0.37 0.00 0.49 -0.34 0.00 0.00 178.44 178.83 3ag4 n PHE 12 N -4.78 0.00 0.76 1.25 3.01 -0.01 -2.81 117.46 114.87 3ag4 n PHE 12 Ca 0.04 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.59 3ag4 n PHE 12 Cb 0.07 -0.40 0.09 0.00 -0.01 0.00 0.00 39.48 39.22 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 -1.40 1.68 -1.65 -1.08 6.02 -0.71 -4.96 117.38 115.28 3ag4 n GLN 13 Ca 0.10 -1.66 -0.50 0.00 -0.01 0.00 0.00 57.00 54.92 3ag4 n GLN 13 Cb 0.28 -1.37 -0.05 0.00 1.02 0.00 0.00 30.24 30.12 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 1.08 1.70 -0.67 -1.09 2.13 -1.06 -4.81 120.64 117.92 3ag4 n GLU 14 Ca 0.11 0.62 -0.23 0.00 0.66 0.00 0.00 57.16 58.32 3ag4 n GLU 14 Cb 0.48 -2.35 -0.02 0.00 0.27 0.00 0.00 31.44 29.82 3ag4 n GLU 14 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3ag4 n ASP 15 N 4.12 3.47 -0.91 4.31 4.64 -1.26 -4.52 116.55 126.40 3ag4 n ASP 15 Ca 0.20 -2.33 0.08 0.00 -1.38 0.00 0.00 54.79 51.36 3ag4 n ASP 15 Cb 0.23 -0.97 0.22 0.00 -1.04 0.00 0.00 41.12 39.56 3ag4 n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3ag4 n ASN 16 N 5.10 3.35 0.00 1.67 0.23 -1.26 -4.98 115.26 119.37 3ag4 n ASN 16 Ca 0.37 -2.04 0.00 0.00 -0.53 0.00 0.00 54.58 52.38 3ag4 n ASN 16 Cb 0.17 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.53 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 0.87 0.54 3.76 4.83 0.00 -1.26 -4.98 105.19 108.96 3ag4 n GLY 17 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 4.62 0.66 0.99 1.43 -1.26 -5.04 118.68 120.09 3ag4 s LEU 18 Ca 0.00 1.82 -0.15 0.00 -1.03 0.00 0.00 54.13 54.76 3ag4 s LEU 18 Cb 0.00 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 42.75 3ag4 s LEU 18 CO 0.00 0.18 1.12 -2.16 0.23 0.00 0.00 176.35 175.72 3ag4 s PRO 19 N -1.14 2.77 0.41 1.29 0.04 -1.26 -4.75 135.00 132.36 3ag4 s PRO 19 Ca 0.39 1.43 0.12 0.00 0.04 0.00 0.00 61.00 62.98 3ag4 s PRO 19 Cb -0.25 -1.94 0.95 0.00 0.04 0.00 0.00 34.50 33.30 3ag4 s PRO 19 CO 0.29 -1.28 1.97 -0.24 0.04 0.00 0.00 177.00 177.78 3ag4 h VAL 20 N 0.06 0.92 0.00 -0.36 3.04 -1.98 0.12 116.25 118.05 3ag4 h VAL 20 Ca -0.47 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 3ag4 h VAL 20 Cb 1.25 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 3ag4 h VAL 20 CO 0.54 0.09 0.00 0.00 -1.01 0.00 0.00 177.57 177.19 3ag4 n HIS 21 N -4.48 0.14 -0.08 3.17 1.44 -1.26 -2.57 115.22 111.58 3ag4 n HIS 21 Ca 0.10 0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.87 3ag4 n HIS 21 Cb 0.35 -0.58 0.00 0.00 0.12 0.00 0.00 29.99 29.87 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 -1.62 1.15 0.03 2.39 4.77 0.37 -4.76 117.00 119.34 3ag4 n LEU 22 Ca 0.03 -1.15 0.12 0.00 -0.03 0.00 0.00 56.01 54.99 3ag4 n LEU 22 Cb 0.19 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.80 3ag4 n LEU 22 CO 0.15 0.29 0.90 1.17 -1.33 0.00 0.00 177.39 178.57 3ag4 n LYS 23 N -0.12 0.06 0.09 3.23 4.81 -0.86 -3.00 118.16 122.37 3ag4 n LYS 23 Ca 0.00 0.11 0.13 0.00 -0.87 0.00 0.00 58.31 57.68 3ag4 n LYS 23 Cb 0.08 -1.58 0.45 0.00 0.02 0.00 0.00 35.03 34.01 3ag4 n LYS 23 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ag4 n GLY 24 N 1.10 -1.57 0.00 3.14 0.00 -1.26 -4.82 105.19 101.78 3ag4 n GLY 24 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3ag4 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag4 n GLY 25 N 1.05 -0.03 0.29 -0.02 0.00 -1.16 -4.79 105.19 100.53 3ag4 n GLY 25 Ca 0.05 -2.26 0.07 0.00 0.00 0.00 0.00 46.02 43.89 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 1.92 -0.29 4.61 0.00 -1.96 -1.17 119.26 122.38 3ag4 h ALA 26 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3ag4 h ALA 26 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ag4 h ALA 26 CO 0.00 0.06 0.07 1.15 0.00 0.00 0.00 179.25 180.53 3ag4 h THR 27 N 0.21 1.14 -0.90 0.00 2.02 -1.97 -2.20 112.91 111.22 3ag4 h THR 27 Ca 0.08 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 3ag4 h THR 27 Cb 0.04 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 3ag4 h THR 27 CO -0.01 0.18 0.52 0.44 0.37 0.00 0.00 175.52 177.01 3ag4 h ASP 28 N 0.41 1.10 -0.33 4.18 3.32 -1.53 -1.20 116.42 122.37 3ag4 h ASP 28 Ca 0.10 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.90 3ag4 h ASP 28 Cb 0.17 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3ag4 h ASP 28 CO -0.00 0.86 -0.44 0.78 -1.72 0.00 0.00 179.24 178.71 3ag4 h ASN 29 N 1.24 0.97 0.11 6.45 2.35 -1.47 -0.32 115.58 124.92 3ag4 h ASN 29 Ca 0.32 -0.47 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 3ag4 h ASN 29 Cb -0.02 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.08 3ag4 h ASN 29 CO -0.06 1.27 -0.05 0.40 -1.65 0.00 0.00 177.43 177.34 3ag4 h ILE 30 N 0.72 0.93 -0.46 2.81 2.04 -1.22 -1.29 117.51 121.03 3ag4 h ILE 30 Ca 0.04 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3ag4 h ILE 30 Cb 1.04 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3ag4 h ILE 30 CO 0.10 0.03 0.21 0.25 0.00 0.00 0.00 178.15 178.74 3ag4 h LEU 31 N -0.21 0.62 -0.39 1.44 5.85 -1.09 0.21 115.31 121.75 3ag4 h LEU 31 Ca -0.01 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.64 3ag4 h LEU 31 Cb 0.16 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 3ag4 h LEU 31 CO 0.02 0.60 -0.16 0.22 -0.34 0.00 0.00 178.44 178.78 3ag4 h TYR 32 N 0.61 -0.39 -0.06 1.25 3.20 -1.07 -0.23 116.97 120.28 3ag4 h TYR 32 Ca 0.16 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 3ag4 h TYR 32 Cb 0.15 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3ag4 h TYR 32 CO -0.00 -0.24 -0.44 0.00 -1.64 0.00 0.00 178.16 175.84 3ag4 h ARG 33 N -0.09 0.13 -0.47 1.82 3.08 -0.56 -0.43 114.38 117.86 3ag4 h ARG 33 Ca 0.19 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3ag4 h ARG 33 Cb 0.38 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3ag4 h ARG 33 CO -0.45 0.55 0.05 0.28 -1.07 0.00 0.00 179.97 179.33 3ag4 h VAL 34 N 0.11 1.25 -0.13 2.04 2.07 -0.64 -1.39 116.25 119.56 3ag4 h VAL 34 Ca 0.01 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 3ag4 h VAL 34 Cb 0.82 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3ag4 h VAL 34 CO 0.06 0.34 0.01 0.74 0.02 0.00 0.00 177.57 178.74 3ag4 h THR 35 N 0.65 1.24 -0.11 2.57 2.02 -0.08 -1.42 112.91 117.78 3ag4 h THR 35 Ca 0.14 -0.76 -0.14 0.00 0.77 0.00 0.00 66.41 66.41 3ag4 h THR 35 Cb 0.43 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3ag4 h THR 35 CO 0.01 0.22 -0.56 -0.03 0.37 0.00 0.00 175.52 175.53 3ag4 h MET 36 N -0.02 0.33 -0.23 6.66 -1.53 -1.15 -0.69 114.93 118.29 3ag4 h MET 36 Ca 0.04 -0.21 -0.03 0.00 -3.44 0.00 0.00 59.70 56.06 3ag4 h MET 36 Cb 0.33 0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.40 3ag4 h MET 36 CO 0.00 0.80 0.03 1.15 0.14 0.00 0.00 176.91 179.04 3ag4 h THR 37 N 0.25 1.23 -0.79 -0.77 2.02 -0.91 -0.26 112.91 113.67 3ag4 h THR 37 Ca 0.00 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3ag4 h THR 37 Cb 1.07 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.75 3ag4 h THR 37 CO 0.09 0.25 0.50 -0.07 0.37 0.00 0.00 175.52 176.65 3ag4 h LEU 38 N 0.18 0.94 -0.25 2.58 3.38 -1.15 0.24 115.31 121.23 3ag4 h LEU 38 Ca 0.07 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3ag4 h LEU 38 Cb 0.34 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3ag4 h LEU 38 CO 0.01 0.71 -0.01 0.00 0.09 0.00 0.00 178.44 179.23 3ag4 h LEU 40 N 0.21 0.80 -0.03 0.00 3.38 -0.98 -1.50 115.31 117.20 3ag4 h LEU 40 Ca 0.07 -0.78 0.01 0.00 0.09 0.00 0.00 57.88 57.26 3ag4 h LEU 40 Cb 0.44 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3ag4 h LEU 40 CO 0.02 1.48 -0.02 1.23 0.09 0.00 0.00 178.44 181.24 3ag4 h GLY 41 N 0.20 0.01 1.23 0.83 0.00 -0.56 -1.50 103.07 103.28 3ag4 h GLY 41 Ca -0.14 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3ag4 h GLY 41 CO 0.19 -0.02 0.45 -1.33 0.00 0.00 0.00 176.54 175.83 3ag4 h GLY 42 N -0.02 1.09 1.01 4.60 0.00 -0.27 -0.65 103.07 108.83 3ag4 h GLY 42 Ca 0.02 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 3ag4 h GLY 42 CO -0.04 0.44 -0.10 -0.84 0.00 0.00 0.00 176.54 176.00 3ag4 h THR 43 N 1.04 1.27 -0.59 4.70 2.02 -1.01 0.96 112.91 121.30 3ag4 h THR 43 Ca 0.27 -1.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.14 3ag4 h THR 43 Cb -0.03 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3ag4 h THR 43 CO -0.05 0.41 -0.03 -0.07 0.37 0.00 0.00 175.52 176.16 3ag4 h LEU 44 N 0.67 1.04 -1.32 2.58 3.38 -0.91 -1.41 115.31 119.34 3ag4 h LEU 44 Ca 0.11 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3ag4 h LEU 44 Cb 0.64 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3ag4 h LEU 44 CO 0.04 1.11 0.47 0.22 0.09 0.00 0.00 178.44 180.36 3ag4 h TYR 45 N 0.96 0.88 -0.44 1.13 3.20 -0.75 -1.59 116.97 120.36 3ag4 h TYR 45 Ca 0.17 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 3ag4 h TYR 45 Cb 0.59 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3ag4 h TYR 45 CO 0.04 0.55 -0.13 0.66 -1.64 0.00 0.00 178.16 177.63 3ag4 h SER 46 N 0.94 0.81 -0.70 -2.11 4.64 -0.27 0.12 113.55 116.98 3ag4 h SER 46 Ca 0.26 -0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 3ag4 h SER 46 Cb -0.09 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.75 3ag4 h SER 46 CO -0.06 0.95 0.29 -0.07 -0.87 0.00 0.00 176.83 177.08 3ag4 h LEU 47 N 0.73 0.95 0.53 5.97 3.38 -0.79 0.63 115.31 126.70 3ag4 h LEU 47 Ca 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3ag4 h LEU 47 Cb 0.63 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3ag4 h LEU 47 CO 0.04 0.85 -0.37 0.22 0.09 0.00 0.00 178.44 179.27 3ag4 h TYR 48 N 0.99 -0.99 -0.61 1.13 3.20 -1.06 -0.32 116.97 119.31 3ag4 h TYR 48 Ca 0.23 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.23 3ag4 h TYR 48 Cb 0.19 0.37 -0.11 0.00 1.54 0.00 0.00 36.73 38.71 3ag4 h TYR 48 CO 0.01 -0.55 -0.09 0.00 -1.64 0.00 0.00 178.16 175.89 3ag4 h LEU 50 N 0.04 -0.17 -0.79 0.00 6.46 -0.70 0.61 115.31 120.77 3ag4 h LEU 50 Ca 0.31 0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 58.17 3ag4 h LEU 50 Cb 0.48 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 3ag4 h LEU 50 CO -0.59 -0.07 0.39 1.23 -0.62 0.00 0.00 178.44 178.78 3ag4 h GLY 51 N 0.16 1.21 1.20 3.75 0.00 -0.09 -0.45 103.07 108.85 3ag4 h GLY 51 Ca 0.30 -0.59 -0.15 0.00 0.00 0.00 0.00 47.33 46.89 3ag4 h GLY 51 CO -0.46 0.56 -0.37 -0.25 0.00 0.00 0.00 176.54 176.02 3ag4 h TRP 52 N 1.11 1.05 -0.00 5.60 7.01 -0.92 -2.97 115.95 126.82 3ag4 h TRP 52 Ca 0.27 -0.31 0.00 0.00 2.11 0.00 0.00 58.89 60.97 3ag4 h TRP 52 Cb 0.10 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 26.93 3ag4 h TRP 52 CO 0.01 1.11 -0.06 0.00 -2.79 0.00 0.00 178.44 176.71 3ag4 n ALA 53 N -2.53 2.62 0.54 2.65 0.00 0.18 -3.55 120.51 120.42 3ag4 n ALA 53 Ca -0.02 -0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.35 3ag4 n ALA 53 Cb 0.53 -1.42 0.42 0.00 0.00 0.00 0.00 19.45 18.99 3ag4 n ALA 53 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3ag4 h SER 54 N 0.22 0.00 -3.78 0.00 0.02 -0.92 -3.45 113.55 105.63 3ag4 h SER 54 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 3ag4 h SER 54 Cb 0.33 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.66 3ag4 h SER 54 CO 0.00 0.00 -0.84 -0.36 -1.14 0.00 0.00 176.83 174.49 3ag4 s PHE 55 N -3.18 2.15 0.31 3.45 0.08 -1.23 -5.11 117.98 114.45 3ag4 s PHE 55 Ca 0.09 -0.39 -0.28 0.00 0.12 0.00 0.00 56.93 56.46 3ag4 s PHE 55 Cb 0.11 -1.13 -0.09 0.00 -0.57 0.00 0.00 43.02 41.33 3ag4 s PHE 55 CO 0.54 0.34 1.09 -1.25 -0.10 0.00 0.00 175.22 175.85 3ag4 s PRO 56 N -2.22 4.51 -0.94 0.24 0.04 -1.26 -4.96 135.00 130.40 3ag4 s PRO 56 Ca 0.14 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.89 3ag4 s PRO 56 Cb -0.09 -3.02 0.25 0.00 0.04 0.00 0.00 34.50 31.68 3ag4 s PRO 56 CO 0.06 0.11 0.98 0.72 0.04 0.00 0.00 177.00 178.92 3ag4 n HIS 57 N 0.86 3.92 0.00 0.56 8.25 -1.26 -5.16 115.22 122.39 3ag4 n HIS 57 Ca 0.00 -3.78 0.00 0.00 -0.26 0.00 0.00 57.72 53.68 3ag4 n HIS 57 Cb 0.46 -1.17 0.00 0.00 1.12 0.00 0.00 29.99 30.39 3ag4 n HIS 57 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61