#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 s GLU 2 N 0.00 1.42 -0.77 -1.08 2.12 -1.26 -5.08 118.70 114.06 3ag1 s GLU 2 Ca 0.00 -1.45 -0.25 0.00 0.36 0.00 0.00 54.97 53.63 3ag1 s GLU 2 Cb 0.00 -1.70 0.05 0.00 0.26 0.00 0.00 34.13 32.74 3ag1 s GLU 2 CO 0.00 0.37 1.22 1.21 -0.54 0.00 0.00 175.26 177.52 3ag1 s ASN 3 N -2.55 6.23 -0.34 -1.70 3.84 -1.26 -4.84 114.94 114.32 3ag1 s ASN 3 Ca 0.18 -0.77 0.09 0.00 0.21 0.00 0.00 52.86 52.57 3ag1 s ASN 3 Cb -0.08 -2.52 0.65 0.00 -0.55 0.00 0.00 41.25 38.75 3ag1 s ASN 3 CO 0.08 -1.68 1.73 0.54 -2.79 0.00 0.00 177.10 174.99 3ag1 n ARG 4 N 8.82 2.80 -0.29 0.43 5.12 -1.26 -4.67 116.66 127.61 3ag1 n ARG 4 Ca 0.06 -3.07 -0.04 0.00 -1.93 0.00 0.00 57.85 52.88 3ag1 n ARG 4 Cb 0.48 -2.08 0.11 0.00 -1.16 0.00 0.00 32.46 29.81 3ag1 n ARG 4 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3ag1 h VAL 5 N 1.73 1.25 -0.25 1.55 2.07 -2.01 -2.81 116.25 117.78 3ag1 h VAL 5 Ca 0.34 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 3ag1 h VAL 5 Cb 2.27 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3ag1 h VAL 5 CO 0.72 0.30 0.01 0.00 0.02 0.00 0.00 177.57 178.63 3ag1 h ALA 6 N 1.27 1.56 -0.36 1.67 0.00 -2.00 -0.62 119.26 120.78 3ag1 h ALA 6 Ca 0.28 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3ag1 h ALA 6 Cb 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ag1 h ALA 6 CO -0.04 0.33 -0.42 0.93 0.00 0.00 0.00 179.25 180.04 3ag1 h GLU 7 N 0.36 0.91 -0.49 0.00 5.08 -1.86 -1.78 114.58 116.80 3ag1 h GLU 7 Ca 0.08 -0.50 -0.10 0.00 -1.00 0.00 0.00 59.36 57.84 3ag1 h GLU 7 Cb 0.22 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3ag1 h GLU 7 CO 0.00 1.15 -0.10 0.87 -1.00 0.00 0.00 179.01 179.94 3ag1 h LYS 8 N 0.74 0.90 -0.73 2.33 1.79 -1.34 -2.02 116.57 118.24 3ag1 h LYS 8 Ca 0.05 -0.31 0.07 0.00 -2.18 0.00 0.00 60.65 58.28 3ag1 h LYS 8 Cb 1.02 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 31.54 3ag1 h LYS 8 CO 0.10 0.95 0.41 1.96 -1.08 0.00 0.00 179.45 181.79 3ag1 h GLN 9 N 0.81 0.71 -0.08 3.15 4.20 -0.97 0.12 115.11 123.05 3ag1 h GLN 9 Ca 0.13 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3ag1 h GLN 9 Cb 0.62 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 3ag1 h GLN 9 CO 0.04 0.47 -0.03 -0.22 -0.67 0.00 0.00 178.83 178.41 3ag1 h LYS 10 N 0.73 0.17 -0.32 1.46 3.64 -1.11 -1.52 116.57 119.62 3ag1 h LYS 10 Ca 0.34 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.72 3ag1 h LYS 10 Cb 0.25 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.98 3ag1 h LYS 10 CO -0.21 0.52 -0.23 1.25 -2.27 0.00 0.00 179.45 178.51 3ag1 h LEU 11 N -0.19 -0.76 -0.19 5.20 5.85 -1.18 -2.59 115.31 121.45 3ag1 h LEU 11 Ca 0.02 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3ag1 h LEU 11 Cb 0.47 0.38 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3ag1 h LEU 11 CO 0.01 -0.26 0.00 0.49 -0.34 0.00 0.00 178.44 178.34 3ag1 n PHE 12 N -5.38 0.83 0.71 1.25 3.01 0.42 -2.34 117.46 115.96 3ag1 n PHE 12 Ca 0.00 0.26 0.12 0.00 1.01 0.00 0.00 57.45 58.85 3ag1 n PHE 12 Cb 0.29 -0.93 0.18 0.00 -0.01 0.00 0.00 39.48 39.01 3ag1 n PHE 12 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3ag1 n GLN 13 N -2.20 2.37 -1.72 -1.08 6.02 -0.58 -4.96 117.38 115.23 3ag1 n GLN 13 Ca 0.05 -2.03 -0.42 0.00 -0.01 0.00 0.00 57.00 54.58 3ag1 n GLN 13 Cb 0.37 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 3ag1 n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3ag1 n GLU 14 N 1.34 2.66 -1.83 -1.09 2.13 -0.99 -4.86 120.64 118.00 3ag1 n GLU 14 Ca 0.17 0.95 -0.42 0.00 0.66 0.00 0.00 57.16 58.53 3ag1 n GLU 14 Cb 0.59 -2.76 -0.00 0.00 0.27 0.00 0.00 31.44 29.53 3ag1 n GLU 14 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3ag1 n ASP 15 N 3.04 5.20 -0.98 4.31 4.64 -1.26 -4.60 116.55 126.91 3ag1 n ASP 15 Ca 0.13 -2.89 0.08 0.00 -1.38 0.00 0.00 54.79 50.72 3ag1 n ASP 15 Cb 0.35 -1.58 0.24 0.00 -1.04 0.00 0.00 41.12 39.10 3ag1 n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3ag1 n ASN 16 N 4.86 3.74 0.00 1.67 0.23 -1.26 -5.00 115.26 119.50 3ag1 n ASN 16 Ca 0.54 -2.46 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 3ag1 n ASN 16 Cb 0.35 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 3ag1 n ASN 16 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ag1 n GLY 17 N 0.34 1.40 3.76 4.83 0.00 -1.26 -4.99 105.19 109.27 3ag1 n GLY 17 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3ag1 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag1 s LEU 18 N 0.00 4.46 0.73 0.99 1.43 -1.26 -5.03 118.68 120.00 3ag1 s LEU 18 Ca 0.00 2.52 -0.11 0.00 -1.03 0.00 0.00 54.13 55.52 3ag1 s LEU 18 Cb 0.00 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.61 3ag1 s LEU 18 CO 0.00 -0.42 1.07 -2.16 0.23 0.00 0.00 176.35 175.07 3ag1 s PRO 19 N -1.43 2.63 0.39 1.29 0.04 -1.26 -4.79 135.00 131.88 3ag1 s PRO 19 Ca 0.49 1.00 0.16 0.00 0.04 0.00 0.00 61.00 62.70 3ag1 s PRO 19 Cb -0.37 -1.95 1.05 0.00 0.04 0.00 0.00 34.50 33.27 3ag1 s PRO 19 CO 0.47 -1.33 1.80 -0.24 0.04 0.00 0.00 177.00 177.74 3ag1 h VAL 20 N -0.89 0.60 0.00 -0.36 3.04 -1.97 -1.09 116.25 115.58 3ag1 h VAL 20 Ca -0.44 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3ag1 h VAL 20 Cb 1.22 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 3ag1 h VAL 20 CO 0.55 0.08 0.00 0.00 -1.01 0.00 0.00 177.57 177.19 3ag1 n HIS 21 N -4.61 0.00 -0.07 3.17 1.44 -1.26 -2.91 115.22 110.98 3ag1 n HIS 21 Ca 0.23 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 3ag1 n HIS 21 Cb 0.78 -0.42 0.00 0.00 0.12 0.00 0.00 29.99 30.47 3ag1 n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3ag1 n LEU 22 N -1.42 0.70 0.05 2.39 4.77 -0.45 -4.73 117.00 118.31 3ag1 n LEU 22 Ca 0.07 -0.80 0.10 0.00 -0.03 0.00 0.00 56.01 55.35 3ag1 n LEU 22 Cb 0.21 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.72 3ag1 n LEU 22 CO 0.18 0.17 0.82 1.17 -1.33 0.00 0.00 177.39 178.40 3ag1 n LYS 23 N -0.21 0.08 0.02 3.23 4.81 -0.97 -2.99 118.16 122.13 3ag1 n LYS 23 Ca 0.00 0.26 0.12 0.00 -0.87 0.00 0.00 58.31 57.81 3ag1 n LYS 23 Cb 0.02 -1.64 0.14 0.00 0.02 0.00 0.00 35.03 33.57 3ag1 n LYS 23 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ag1 n GLY 24 N 0.39 -1.25 0.00 3.14 0.00 -1.26 -4.85 105.19 101.35 3ag1 n GLY 24 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3ag1 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag1 n GLY 25 N 1.43 0.28 0.08 -0.02 0.00 -1.16 -4.78 105.19 101.02 3ag1 n GLY 25 Ca 0.04 -1.65 -0.05 0.00 0.00 0.00 0.00 46.02 44.36 3ag1 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 h ALA 26 N 0.00 0.54 -0.41 4.61 0.00 -1.96 -2.93 119.26 119.12 3ag1 h ALA 26 Ca 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 54.91 54.04 3ag1 h ALA 26 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ag1 h ALA 26 CO 0.00 1.09 -0.04 1.15 0.00 0.00 0.00 179.25 181.46 3ag1 h THR 27 N 0.00 1.23 -0.55 0.00 2.02 -1.97 -2.91 112.91 110.73 3ag1 h THR 27 Ca -0.01 -0.98 0.11 0.00 0.77 0.00 0.00 66.41 66.30 3ag1 h THR 27 Cb 1.56 0.97 -0.10 0.00 -1.74 0.00 0.00 68.15 68.85 3ag1 h THR 27 CO 0.11 0.34 -0.03 0.44 0.37 0.00 0.00 175.52 176.75 3ag1 h ASP 28 N 0.63 -0.31 -0.65 4.18 5.19 -1.83 -0.82 116.42 122.81 3ag1 h ASP 28 Ca 0.12 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.64 3ag1 h ASP 28 Cb 0.45 0.27 -0.03 0.00 0.18 0.00 0.00 39.33 40.20 3ag1 h ASP 28 CO 0.02 -0.12 0.28 0.78 -3.12 0.00 0.00 179.24 177.09 3ag1 h ASN 29 N 0.09 0.88 0.15 6.45 2.35 -1.56 0.13 115.58 124.07 3ag1 h ASN 29 Ca 0.28 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3ag1 h ASN 29 Cb 0.44 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3ag1 h ASN 29 CO -0.49 0.80 -0.07 0.40 -1.65 0.00 0.00 177.43 176.41 3ag1 h ILE 30 N 0.91 0.96 -0.77 2.81 2.04 -1.31 -1.01 117.51 121.15 3ag1 h ILE 30 Ca 0.22 -0.50 0.15 0.00 1.00 0.00 0.00 64.86 65.73 3ag1 h ILE 30 Cb 0.17 1.27 -0.10 0.00 -0.74 0.00 0.00 36.82 37.42 3ag1 h ILE 30 CO -0.02 0.12 0.30 0.25 0.00 0.00 0.00 178.15 178.79 3ag1 h LEU 31 N -0.44 0.26 -0.41 1.44 5.85 -1.09 0.03 115.31 120.96 3ag1 h LEU 31 Ca -0.02 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3ag1 h LEU 31 Cb 0.35 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3ag1 h LEU 31 CO 0.03 0.08 0.00 0.22 -0.34 0.00 0.00 178.44 178.44 3ag1 h TYR 32 N 0.43 0.78 -0.39 1.25 3.20 -0.66 -2.08 116.97 119.51 3ag1 h TYR 32 Ca 0.43 -0.13 -0.11 0.00 3.14 0.00 0.00 58.73 62.05 3ag1 h TYR 32 Cb 0.67 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3ag1 h TYR 32 CO -0.17 0.78 -0.21 0.00 -1.64 0.00 0.00 178.16 176.93 3ag1 h ARG 33 N 0.54 0.82 -0.47 1.82 3.08 -0.94 -1.58 114.38 117.66 3ag1 h ARG 33 Ca 0.12 -0.37 0.04 0.00 0.07 0.00 0.00 59.98 59.84 3ag1 h ARG 33 Cb 0.47 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 3ag1 h ARG 33 CO 0.02 1.00 0.22 0.28 -1.07 0.00 0.00 179.97 180.42 3ag1 h VAL 34 N 0.62 0.94 -0.18 2.04 2.07 -0.94 -1.12 116.25 119.69 3ag1 h VAL 34 Ca 0.08 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3ag1 h VAL 34 Cb 0.76 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3ag1 h VAL 34 CO 0.06 0.08 0.06 0.74 0.02 0.00 0.00 177.57 178.52 3ag1 h THR 35 N 0.43 1.18 -0.57 2.57 2.02 -1.22 -0.89 112.91 116.44 3ag1 h THR 35 Ca 0.21 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 3ag1 h THR 35 Cb 0.14 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3ag1 h THR 35 CO -0.16 0.18 0.05 -0.03 0.37 0.00 0.00 175.52 175.92 3ag1 h MET 36 N 0.11 0.98 -0.29 6.66 -1.53 -1.25 0.36 114.93 119.96 3ag1 h MET 36 Ca 0.06 -0.29 -0.01 0.00 -3.44 0.00 0.00 59.70 56.02 3ag1 h MET 36 Cb 0.22 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.16 3ag1 h MET 36 CO -0.00 0.95 0.13 1.15 0.14 0.00 0.00 176.91 179.28 3ag1 h THR 37 N 0.87 1.17 -0.81 -0.77 2.02 -0.94 -1.20 112.91 113.24 3ag1 h THR 37 Ca 0.17 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 3ag1 h THR 37 Cb 0.48 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3ag1 h THR 37 CO 0.02 0.17 0.37 -0.07 0.37 0.00 0.00 175.52 176.38 3ag1 h LEU 38 N 0.33 1.09 -0.53 2.58 3.38 -0.94 -0.23 115.31 120.99 3ag1 h LEU 38 Ca 0.10 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3ag1 h LEU 38 Cb 0.15 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3ag1 h LEU 38 CO -0.01 0.93 0.30 0.00 0.09 0.00 0.00 178.44 179.76 3ag1 h LEU 40 N 0.60 0.73 -0.03 0.00 3.38 -1.07 -1.74 115.31 117.18 3ag1 h LEU 40 Ca 0.22 -0.87 -0.00 0.00 0.09 0.00 0.00 57.88 57.32 3ag1 h LEU 40 Cb 0.05 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3ag1 h LEU 40 CO -0.11 1.70 0.02 1.23 0.09 0.00 0.00 178.44 181.36 3ag1 h GLY 41 N 0.50 0.05 0.20 0.83 0.00 -1.06 -1.05 103.07 102.53 3ag1 h GLY 41 Ca -0.27 -0.02 0.14 0.00 0.00 0.00 0.00 47.33 47.17 3ag1 h GLY 41 CO 0.24 0.02 0.33 -1.33 0.00 0.00 0.00 176.54 175.80 3ag1 h GLY 42 N -0.03 1.17 1.39 4.60 0.00 -0.74 0.28 103.07 109.74 3ag1 h GLY 42 Ca 0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 3ag1 h GLY 42 CO -0.00 -0.07 -0.29 -0.84 0.00 0.00 0.00 176.54 175.34 3ag1 h THR 43 N 0.49 1.28 -0.32 4.70 2.02 -0.86 -0.55 112.91 119.66 3ag1 h THR 43 Ca 0.41 -1.41 -0.17 0.00 0.77 0.00 0.00 66.41 66.02 3ag1 h THR 43 Cb 0.60 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3ag1 h THR 43 CO -0.38 0.46 -0.45 -0.07 0.37 0.00 0.00 175.52 175.45 3ag1 h LEU 44 N 0.59 0.92 -0.87 2.58 3.38 -0.35 -1.03 115.31 120.53 3ag1 h LEU 44 Ca 0.07 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 3ag1 h LEU 44 Cb 0.79 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3ag1 h LEU 44 CO 0.06 1.23 0.40 0.22 0.09 0.00 0.00 178.44 180.44 3ag1 h TYR 45 N 0.67 1.22 -0.05 1.13 3.20 -0.12 -1.61 116.97 121.41 3ag1 h TYR 45 Ca 0.04 -0.06 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 3ag1 h TYR 45 Cb 1.04 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 3ag1 h TYR 45 CO 0.06 0.88 -0.55 0.66 -1.64 0.00 0.00 178.16 177.57 3ag1 h SER 46 N 1.20 0.17 -0.64 -2.11 4.64 -0.43 0.27 113.55 116.66 3ag1 h SER 46 Ca 0.29 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.43 3ag1 h SER 46 Cb 0.13 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3ag1 h SER 46 CO -0.04 0.69 0.06 -0.07 -0.87 0.00 0.00 176.83 176.60 3ag1 h LEU 47 N 0.12 1.06 -0.14 5.97 3.38 -0.96 -0.83 115.31 123.91 3ag1 h LEU 47 Ca -0.00 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.73 3ag1 h LEU 47 Cb 1.01 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 3ag1 h LEU 47 CO 0.08 1.08 -0.12 0.22 0.09 0.00 0.00 178.44 179.79 3ag1 h TYR 48 N 1.01 -0.30 -0.72 1.13 3.20 -0.79 -1.10 116.97 119.40 3ag1 h TYR 48 Ca 0.19 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.13 3ag1 h TYR 48 Cb 0.50 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.87 3ag1 h TYR 48 CO 0.04 -0.18 0.43 0.00 -1.64 0.00 0.00 178.16 176.80 3ag1 h LEU 50 N 0.80 0.34 -0.68 0.00 7.12 -1.02 0.11 115.31 121.99 3ag1 h LEU 50 Ca 0.31 0.03 -0.03 0.00 0.13 0.00 0.00 57.88 58.32 3ag1 h LEU 50 Cb 0.13 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.19 3ag1 h LEU 50 CO -0.16 0.24 0.33 1.23 -0.13 0.00 0.00 178.44 179.95 3ag1 h GLY 51 N 0.47 1.06 1.00 3.75 0.00 -0.43 -1.83 103.07 107.08 3ag1 h GLY 51 Ca 0.21 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.02 3ag1 h GLY 51 CO -0.15 0.50 0.32 -0.25 0.00 0.00 0.00 176.54 176.96 3ag1 h TRP 52 N 0.95 0.61 0.00 5.60 7.01 -0.69 -3.06 115.95 126.37 3ag1 h TRP 52 Ca 0.23 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.25 3ag1 h TRP 52 Cb 0.12 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 26.98 3ag1 h TRP 52 CO 0.01 0.38 0.00 0.00 -2.79 0.00 0.00 178.44 176.04 3ag1 n ALA 53 N -2.23 2.35 0.43 2.65 0.00 0.36 -3.51 120.51 120.56 3ag1 n ALA 53 Ca 0.02 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3ag1 n ALA 53 Cb 0.02 -1.45 0.22 0.00 0.00 0.00 0.00 19.45 18.24 3ag1 n ALA 53 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3ag1 h SER 54 N 0.00 0.00 -3.29 0.00 0.02 -1.26 -3.44 113.55 105.58 3ag1 h SER 54 Ca 0.00 -0.06 -0.64 0.00 -0.84 0.00 0.00 61.79 60.24 3ag1 h SER 54 Cb 0.31 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.73 3ag1 h SER 54 CO 0.00 0.03 -0.67 -0.36 -1.14 0.00 0.00 176.83 174.69 3ag1 s PHE 55 N -3.19 2.94 0.43 3.45 0.08 -1.23 -5.11 117.98 115.35 3ag1 s PHE 55 Ca 0.07 -0.06 -0.23 0.00 0.12 0.00 0.00 56.93 56.82 3ag1 s PHE 55 Cb 0.10 -1.50 -0.08 0.00 -0.57 0.00 0.00 43.02 40.97 3ag1 s PHE 55 CO 0.68 0.48 1.10 -1.25 -0.10 0.00 0.00 175.22 176.13 3ag1 s PRO 56 N -2.42 3.99 -0.91 0.24 0.04 -1.26 -4.97 135.00 129.71 3ag1 s PRO 56 Ca 0.26 1.62 -0.00 0.00 0.04 0.00 0.00 61.00 62.91 3ag1 s PRO 56 Cb -0.11 -2.47 0.30 0.00 0.04 0.00 0.00 34.50 32.26 3ag1 s PRO 56 CO 0.18 -0.32 1.32 0.72 0.04 0.00 0.00 177.00 178.94 3ag1 n HIS 57 N -0.27 2.86 0.00 0.56 8.25 -1.26 -5.15 115.22 120.21 3ag1 n HIS 57 Ca 0.06 -3.10 0.00 0.00 -0.26 0.00 0.00 57.72 54.42 3ag1 n HIS 57 Cb 0.49 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.61 3ag1 n HIS 57 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61