#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fyh s GLN 1 N 0.00 4.21 0.19 2.12 0.74 -1.26 -5.05 119.66 120.61 1fyh s GLN 1 Ca 0.00 0.52 -0.32 0.00 0.05 0.00 0.00 55.36 55.61 1fyh s GLN 1 Cb 0.00 -3.34 -0.11 0.00 1.10 0.00 0.00 33.01 30.66 1fyh s GLN 1 CO 0.00 0.39 1.70 0.34 -0.55 0.00 0.00 175.29 177.18 1fyh s ASP 2 N -0.17 6.42 0.49 6.67 -1.08 -1.26 -4.91 116.67 122.82 1fyh s ASP 2 Ca 0.27 2.82 0.25 0.00 -0.52 0.00 0.00 52.55 55.36 1fyh s ASP 2 Cb -0.17 -2.60 1.31 0.00 -1.46 0.00 0.00 42.92 40.00 1fyh s ASP 2 CO 0.13 -0.95 1.89 -0.65 0.52 0.00 0.00 175.17 176.11 1fyh h PRO 3 N 6.93 0.17 0.00 4.34 0.11 -2.02 -2.13 132.00 139.39 1fyh h PRO 3 Ca -0.43 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1fyh h PRO 3 Cb 1.20 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1fyh h PRO 3 CO 0.95 0.11 -0.06 0.10 -0.21 0.00 0.00 178.00 178.89 1fyh h TYR 4 N 0.17 0.00 -0.01 0.65 -0.00 -1.91 -3.22 116.97 112.65 1fyh h TYR 4 Ca 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 59.16 1fyh h TYR 4 Cb 1.41 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.14 1fyh h TYR 4 CO -0.00 0.06 0.01 0.28 -0.00 0.00 0.00 178.16 178.50 1fyh h VAL 5 N 0.00 1.03 -0.70 -0.90 2.07 -1.76 -0.72 116.25 115.25 1fyh h VAL 5 Ca -0.00 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1fyh h VAL 5 Cb 0.25 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1fyh h VAL 5 CO 0.01 0.02 0.47 0.50 0.02 0.00 0.00 177.57 178.58 1fyh h LYS 6 N -0.02 0.90 -0.25 1.57 3.64 -1.75 -1.02 116.57 119.65 1fyh h LYS 6 Ca 0.00 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1fyh h LYS 6 Cb 0.03 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1fyh h LYS 6 CO -0.00 0.60 -0.40 0.93 -2.27 0.00 0.00 179.45 178.31 1fyh h GLU 7 N 0.93 0.59 -0.05 1.90 4.39 -1.58 -1.56 114.58 119.20 1fyh h GLU 7 Ca 0.26 -0.30 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 1fyh h GLU 7 Cb -0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1fyh h GLU 7 CO -0.06 0.89 -0.47 0.00 -1.16 0.00 0.00 179.01 178.20 1fyh h ALA 8 N 1.08 1.12 -0.03 3.43 0.00 -0.28 -1.64 119.26 122.95 1fyh h ALA 8 Ca 0.04 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1fyh h ALA 8 Cb 0.90 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1fyh h ALA 8 CO 0.08 0.62 -0.46 0.93 0.00 0.00 0.00 179.25 180.42 1fyh h GLU 9 N 0.09 0.07 -0.47 0.00 4.39 -0.89 -2.00 114.58 115.77 1fyh h GLU 9 Ca 0.00 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 1fyh h GLU 9 Cb 0.87 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1fyh h GLU 9 CO 0.07 0.51 -0.07 -0.97 -1.16 0.00 0.00 179.01 177.38 1fyh h ASN 10 N 0.05 0.89 -0.07 1.42 -1.24 -0.60 -2.61 115.58 113.43 1fyh h ASN 10 Ca 0.00 -0.34 -0.07 0.00 0.71 0.00 0.00 56.30 56.59 1fyh h ASN 10 Cb 0.83 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.63 1fyh h ASN 10 CO 0.06 1.02 -0.16 -0.07 -1.29 0.00 0.00 177.43 176.99 1fyh h LEU 11 N 0.74 0.41 -0.56 0.34 3.38 -1.05 -2.31 115.31 116.27 1fyh h LEU 11 Ca 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1fyh h LEU 11 Cb 0.61 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1fyh h LEU 11 CO 0.04 0.60 0.32 0.11 0.09 0.00 0.00 178.44 179.60 1fyh h LYS 12 N 0.39 0.77 -0.04 1.13 1.57 -1.15 -1.43 116.57 117.80 1fyh h LYS 12 Ca 0.07 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1fyh h LYS 12 Cb 0.51 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1fyh h LYS 12 CO 0.03 0.57 0.02 0.87 -0.57 0.00 0.00 179.45 180.37 1fyh h LYS 13 N 0.75 0.06 -0.68 3.15 1.57 -1.24 0.76 116.57 120.94 1fyh h LYS 13 Ca 0.20 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.09 1fyh h LYS 13 Cb 0.01 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 1fyh h LYS 13 CO -0.03 0.15 0.26 -0.92 -0.57 0.00 0.00 179.45 178.33 1fyh h TYR 14 N -0.04 0.44 -0.08 -1.35 3.20 -1.15 -1.87 116.97 116.11 1fyh h TYR 14 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1fyh h TYR 14 Cb 0.11 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1fyh h TYR 14 CO -0.04 0.08 0.00 1.19 -1.64 0.00 0.00 178.16 177.75 1fyh n PHE 15 N -5.01 0.10 -3.41 -3.82 3.01 -0.56 -4.93 117.46 102.84 1fyh n PHE 15 Ca 0.11 -0.05 -0.24 0.00 1.01 0.00 0.00 57.45 58.28 1fyh n PHE 15 Cb 0.34 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.86 1fyh n PHE 15 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1fyh n ASN 16 N 0.25 -5.89 -0.68 4.37 5.15 -0.51 -4.88 115.26 113.08 1fyh n ASN 16 Ca 0.18 -0.47 0.05 0.00 -0.60 0.00 0.00 54.58 53.74 1fyh n ASN 16 Cb 0.35 -4.70 0.15 0.00 -0.53 0.00 0.00 39.78 35.04 1fyh n ASN 16 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fyh n ALA 17 N -4.30 2.57 0.39 5.20 0.00 0.15 -2.93 120.51 121.58 1fyh n ALA 17 Ca -0.03 -0.60 0.10 0.00 0.00 0.00 0.00 53.44 52.91 1fyh n ALA 17 Cb 0.58 -0.99 0.16 0.00 0.00 0.00 0.00 19.45 19.20 1fyh n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fyh n GLY 18 N 0.87 1.39 3.80 0.00 0.00 -1.26 -4.66 105.19 105.33 1fyh n GLY 18 Ca 0.11 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 1fyh n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fyh s HIS 19 N -1.42 3.79 0.43 1.61 5.04 -1.15 -4.98 115.29 118.61 1fyh s HIS 19 Ca 0.31 1.47 0.37 0.00 -1.54 0.00 0.00 55.06 55.67 1fyh s HIS 19 Cb 0.19 -2.66 2.01 0.00 0.04 0.00 0.00 32.58 32.17 1fyh s HIS 19 CO 0.27 0.46 2.13 0.66 -2.34 0.00 0.00 174.74 175.92 1fyh h SER 20 N 4.00 0.00 0.44 9.88 4.64 -1.93 -0.81 113.55 129.77 1fyh h SER 20 Ca -0.48 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.80 1fyh h SER 20 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1fyh h SER 20 CO 0.65 0.00 -0.19 0.44 -0.87 0.00 0.00 176.83 176.86 1fyh h ASP 21 N 0.00 0.00 0.15 4.97 3.32 -1.95 -2.32 116.42 120.59 1fyh h ASP 21 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1fyh h ASP 21 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1fyh h ASP 21 CO 0.00 0.19 -0.04 1.62 -1.72 0.00 0.00 179.24 179.29 1fyh h VAL 22 N 0.00 0.44 -0.25 -1.35 3.04 -1.49 -2.96 116.25 113.69 1fyh h VAL 22 Ca -0.00 -0.19 -0.07 0.00 -1.01 0.00 0.00 66.70 65.43 1fyh h VAL 22 Cb 0.46 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 1fyh h VAL 22 CO 0.03 0.04 -0.16 0.00 -1.01 0.00 0.00 177.57 176.47 1fyh h ALA 23 N 1.96 1.28 -1.70 3.17 0.00 -1.61 -3.46 119.26 118.90 1fyh h ALA 23 Ca -0.00 -0.27 -0.68 0.00 0.00 0.00 0.00 54.91 53.96 1fyh h ALA 23 Cb 0.13 -0.12 0.05 0.00 0.00 0.00 0.00 17.79 17.85 1fyh h ALA 23 CO 0.01 0.48 0.49 -0.25 0.00 0.00 0.00 179.25 179.97 1fyh n ASP 24 N -4.20 1.74 -1.47 0.00 8.00 -1.12 -4.06 116.55 115.45 1fyh n ASP 24 Ca 0.00 1.12 -0.04 0.00 0.71 0.00 0.00 54.79 56.58 1fyh n ASP 24 Cb 0.33 -1.20 0.02 0.00 -0.02 0.00 0.00 41.12 40.25 1fyh n ASP 24 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1fyh n ASN 25 N 2.69 -2.07 0.00 -2.24 5.03 -1.26 -4.97 115.26 112.45 1fyh n ASN 25 Ca 0.19 -0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.51 1fyh n ASN 25 Cb 0.19 -1.44 0.00 0.00 -1.02 0.00 0.00 39.78 37.51 1fyh n ASN 25 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1fyh n GLY 26 N -1.01 0.37 3.41 7.41 0.00 -1.26 -4.91 105.19 109.20 1fyh n GLY 26 Ca -0.05 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 1fyh n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fyh s THR 27 N 0.00 2.22 -0.15 2.61 -4.23 -1.26 -4.99 115.64 109.84 1fyh s THR 27 Ca 0.00 -2.12 -0.13 0.00 -1.18 0.00 0.00 61.69 58.26 1fyh s THR 27 Cb 0.00 -2.10 -0.10 0.00 1.34 0.00 0.00 72.50 71.64 1fyh s THR 27 CO 0.00 -0.27 0.09 -0.07 -0.54 0.00 0.00 174.62 173.83 1fyh h LEU 28 N 2.93 0.00 0.00 4.79 3.38 -1.92 -3.46 115.31 121.02 1fyh h LEU 28 Ca -0.43 -0.27 -0.18 0.00 0.09 0.00 0.00 57.88 57.10 1fyh h LEU 28 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1fyh h LEU 28 CO 0.53 0.93 -1.66 0.49 0.09 0.00 0.00 178.44 178.81 1fyh n PHE 29 N -4.60 0.00 -0.13 1.13 3.72 -1.26 -4.76 117.46 111.56 1fyh n PHE 29 Ca -0.13 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.22 1fyh n PHE 29 Cb 0.35 -0.45 0.03 0.00 -0.94 0.00 0.00 39.48 38.47 1fyh n PHE 29 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1fyh h LEU 30 N 0.00 0.24 -0.36 4.37 3.38 -1.95 -2.27 115.31 118.71 1fyh h LEU 30 Ca -0.26 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 1fyh h LEU 30 Cb 1.43 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 1fyh h LEU 30 CO -0.03 0.17 -0.01 1.23 0.09 0.00 0.00 178.44 179.89 1fyh h GLY 31 N 0.37 0.70 0.74 0.83 0.00 -1.90 -2.55 103.07 101.27 1fyh h GLY 31 Ca 0.19 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 47.02 1fyh h GLY 31 CO -0.16 0.48 -0.05 -2.22 0.00 0.00 0.00 176.54 174.59 1fyh h ILE 32 N 0.46 0.84 -0.21 2.60 2.04 -1.82 -1.58 117.51 119.83 1fyh h ILE 32 Ca 0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.02 1fyh h ILE 32 Cb 0.48 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1fyh h ILE 32 CO 0.02 0.00 0.16 -0.07 0.00 0.00 0.00 178.15 178.26 1fyh h LEU 33 N -0.04 0.00 -0.76 1.44 3.38 -1.36 -2.09 115.31 115.88 1fyh h LEU 33 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1fyh h LEU 33 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1fyh h LEU 33 CO -0.12 0.00 0.34 0.50 0.09 0.00 0.00 178.44 179.24 1fyh h LYS 34 N 0.00 1.11 -0.06 1.13 1.63 -0.85 -3.06 116.57 116.46 1fyh h LYS 34 Ca 0.10 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1fyh h LYS 34 Cb 0.42 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1fyh h LYS 34 CO -0.00 0.88 -0.00 -0.91 -3.45 0.00 0.00 179.45 175.97 1fyh h ASN 35 N 1.08 0.08 -3.60 4.20 2.35 -1.14 -3.42 115.58 115.11 1fyh h ASN 35 Ca 0.26 -0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 55.33 1fyh h ASN 35 Cb 0.16 -0.02 -0.26 0.00 0.05 0.00 0.00 38.32 38.26 1fyh h ASN 35 CO -0.03 0.10 -0.62 0.26 -1.65 0.00 0.00 177.43 175.49 1fyh s TRP 36 N -5.04 3.14 -0.11 1.19 0.52 -1.16 -4.96 118.94 112.52 1fyh s TRP 36 Ca -0.05 -0.90 0.09 0.00 0.02 0.00 0.00 56.10 55.26 1fyh s TRP 36 Cb 0.17 -2.25 -0.13 0.00 -1.15 0.00 0.00 33.47 30.10 1fyh s TRP 36 CO 0.69 -0.55 0.03 1.63 0.02 0.00 0.00 176.95 178.77 1fyh n LYS 37 N 4.88 2.17 -2.27 4.98 5.02 -1.26 -4.66 118.16 127.02 1fyh n LYS 37 Ca -0.15 -0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.75 1fyh n LYS 37 Cb 0.48 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.20 1fyh n LYS 37 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1fyh s GLU 38 N -2.26 4.17 0.54 1.97 0.41 -1.26 -4.87 118.70 117.40 1fyh s GLU 38 Ca -0.06 1.92 0.23 0.00 -0.41 0.00 0.00 54.97 56.65 1fyh s GLU 38 Cb 0.03 -2.81 1.43 0.00 -1.78 0.00 0.00 34.13 31.00 1fyh s GLU 38 CO 0.43 -0.24 2.08 1.49 -0.49 0.00 0.00 175.26 178.53 1fyh h GLU 39 N 2.91 0.00 0.00 1.61 4.57 -1.98 -2.21 114.58 119.47 1fyh h GLU 39 Ca -0.49 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.51 1fyh h GLU 39 Cb 1.23 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 1fyh h GLU 39 CO 0.63 0.00 -0.85 0.77 -1.18 0.00 0.00 179.01 178.38 1fyh h SER 40 N 0.00 0.14 0.24 1.04 0.02 -1.97 -2.39 113.55 110.64 1fyh h SER 40 Ca 0.12 -0.12 -0.18 0.00 -0.84 0.00 0.00 61.79 60.78 1fyh h SER 40 Cb 0.52 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1fyh h SER 40 CO -0.00 0.93 -0.70 0.44 -1.14 0.00 0.00 176.83 176.35 1fyh h ASP 41 N 0.06 0.48 -0.49 3.07 3.32 -1.83 -2.95 116.42 118.07 1fyh h ASP 41 Ca -0.03 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.63 1fyh h ASP 41 Cb 1.48 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 1fyh h ASP 41 CO 0.12 1.03 -0.03 0.03 -1.72 0.00 0.00 179.24 178.68 1fyh h ARG 42 N 0.28 0.89 -0.23 3.56 3.08 -1.35 -3.14 114.38 117.47 1fyh h ARG 42 Ca -0.02 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.66 1fyh h ARG 42 Cb 1.27 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1fyh h ARG 42 CO 0.12 0.93 -0.15 0.87 -1.07 0.00 0.00 179.97 180.67 1fyh h LYS 43 N 0.74 0.40 -0.22 0.04 1.79 -1.40 0.13 116.57 118.05 1fyh h LYS 43 Ca 0.14 -0.11 -0.13 0.00 -2.18 0.00 0.00 60.65 58.36 1fyh h LYS 43 Cb 0.55 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1fyh h LYS 43 CO 0.03 0.55 -0.43 -0.84 -1.08 0.00 0.00 179.45 177.68 1fyh h ILE 44 N 0.37 1.31 -0.02 1.86 3.07 -1.50 -1.52 117.51 121.07 1fyh h ILE 44 Ca 0.07 -1.60 -0.03 0.00 1.55 0.00 0.00 64.86 64.84 1fyh h ILE 44 Cb 0.49 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 1fyh h ILE 44 CO 0.03 0.50 -0.12 0.24 -1.05 0.00 0.00 178.15 177.75 1fyh h MET 45 N 0.43 0.11 -0.44 0.16 2.86 -1.45 -3.26 114.93 113.35 1fyh h MET 45 Ca 0.03 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1fyh h MET 45 Cb 0.92 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 1fyh h MET 45 CO 0.08 0.79 0.29 1.96 1.06 0.00 0.00 176.91 181.09 1fyh h GLN 46 N -0.53 0.48 -0.78 1.72 4.20 -0.79 -1.76 115.11 117.65 1fyh h GLN 46 Ca -0.01 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1fyh h GLN 46 Cb 0.81 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 1fyh h GLN 46 CO 0.02 0.32 0.41 1.03 -0.67 0.00 0.00 178.83 179.94 1fyh h SER 47 N 0.49 0.97 0.33 1.46 0.87 -1.31 0.11 113.55 116.48 1fyh h SER 47 Ca 0.17 -0.09 -0.18 0.00 -1.23 0.00 0.00 61.79 60.47 1fyh h SER 47 Cb 0.09 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1fyh h SER 47 CO -0.04 0.79 -0.73 1.56 -0.53 0.00 0.00 176.83 177.88 1fyh h GLN 48 N 1.09 0.34 -0.20 2.24 1.08 -1.38 -2.72 115.11 115.55 1fyh h GLN 48 Ca 0.27 -0.28 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1fyh h GLN 48 Cb 0.05 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1fyh h GLN 48 CO -0.04 0.93 -0.02 0.82 -0.95 0.00 0.00 178.83 179.56 1fyh h ILE 49 N 0.23 1.27 -0.64 2.54 2.04 -0.88 -2.11 117.51 119.95 1fyh h ILE 49 Ca -0.03 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 1fyh h ILE 49 Cb 1.30 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 1fyh h ILE 49 CO 0.12 0.29 0.29 0.58 0.00 0.00 0.00 178.15 179.43 1fyh h VAL 50 N 0.11 1.23 -0.16 1.67 2.07 -1.03 -1.82 116.25 118.32 1fyh h VAL 50 Ca 0.05 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.82 1fyh h VAL 50 Cb 0.44 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1fyh h VAL 50 CO 0.01 0.27 -0.27 0.77 0.02 0.00 0.00 177.57 178.38 1fyh h SER 51 N 0.89 0.30 -0.72 0.57 4.64 -1.43 -1.37 113.55 116.44 1fyh h SER 51 Ca 0.22 -0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1fyh h SER 51 Cb 0.15 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1fyh h SER 51 CO -0.02 0.57 0.20 0.15 -0.87 0.00 0.00 176.83 176.86 1fyh h PHE 52 N 0.27 1.18 -0.32 4.77 3.57 -0.88 -0.83 116.94 124.71 1fyh h PHE 52 Ca 0.04 -0.13 -0.13 0.00 3.53 0.00 0.00 57.97 61.28 1fyh h PHE 52 Cb 0.62 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1fyh h PHE 52 CO 0.01 0.94 -0.33 1.88 -2.23 0.00 0.00 178.31 178.58 1fyh h TYR 53 N 1.08 0.82 -0.47 0.41 0.05 -1.07 -2.34 116.97 115.45 1fyh h TYR 53 Ca 0.23 -0.22 -0.09 0.00 0.05 0.00 0.00 58.73 58.71 1fyh h TYR 53 Cb 0.33 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 1fyh h TYR 53 CO 0.03 0.94 -0.06 0.74 -1.05 0.00 0.00 178.16 178.76 1fyh h PHE 54 N 0.59 0.88 -0.47 4.88 0.04 -0.98 -1.04 116.94 120.84 1fyh h PHE 54 Ca 0.06 -0.15 -0.12 0.00 2.80 0.00 0.00 57.97 60.57 1fyh h PHE 54 Cb 0.85 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 1fyh h PHE 54 CO 0.04 0.84 -0.18 0.87 -0.60 0.00 0.00 178.31 179.29 1fyh h LYS 55 N 0.75 0.95 0.13 1.51 6.56 -1.02 -2.83 116.57 122.62 1fyh h LYS 55 Ca 0.13 -0.39 -0.01 0.00 -1.06 0.00 0.00 60.65 59.33 1fyh h LYS 55 Cb 0.53 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1fyh h LYS 55 CO 0.03 1.06 -0.06 1.25 -2.06 0.00 0.00 179.45 179.66 1fyh h LEU 56 N 0.79 -0.15 -2.25 2.94 5.85 -1.22 -2.78 115.31 118.49 1fyh h LEU 56 Ca 0.11 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1fyh h LEU 56 Cb 0.74 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1fyh h LEU 56 CO 0.06 -0.09 -0.03 -0.26 -0.34 0.00 0.00 178.44 177.77 1fyh h PHE 57 N -0.20 0.00 -0.11 1.25 0.04 -1.22 -2.03 116.94 114.67 1fyh h PHE 57 Ca -0.02 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.62 1fyh h PHE 57 Cb 0.15 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1fyh h PHE 57 CO -0.06 0.03 -0.53 0.87 -0.60 0.00 0.00 178.31 178.03 1fyh h LYS 58 N 0.00 0.30 0.00 1.51 1.57 -1.23 -0.37 116.57 118.35 1fyh h LYS 58 Ca -0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1fyh h LYS 58 Cb 0.08 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1fyh h LYS 58 CO 0.00 0.75 0.00 0.09 -0.57 0.00 0.00 179.45 179.73 1fyh n ASN 59 N -3.94 0.41 0.00 0.86 3.02 -0.77 -4.08 115.26 110.77 1fyh n ASN 59 Ca -0.02 0.60 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 1fyh n ASN 59 Cb 0.57 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1fyh n ASN 59 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1fyh n PHE 60 N -1.95 0.00 -0.32 3.10 3.72 -0.85 -4.91 117.46 116.25 1fyh n PHE 60 Ca 0.03 -0.14 0.17 0.00 -0.05 0.00 0.00 57.45 57.47 1fyh n PHE 60 Cb 0.22 -0.01 0.37 0.00 -0.94 0.00 0.00 39.48 39.11 1fyh n PHE 60 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1fyh h LYS 61 N 0.00 0.28 0.00 -1.08 3.64 -1.23 -1.72 116.57 116.46 1fyh h LYS 61 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1fyh h LYS 61 Cb 0.69 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1fyh h LYS 61 CO 0.00 0.18 -0.79 -0.40 -2.27 0.00 0.00 179.45 176.17 1fyh n ASP 62 N -5.13 0.69 -4.69 4.20 5.75 -1.26 -4.25 116.55 111.85 1fyh n ASP 62 Ca 0.26 0.05 -0.54 0.00 -0.01 0.00 0.00 54.79 54.54 1fyh n ASP 62 Cb 0.80 0.39 -0.06 0.00 -1.03 0.00 0.00 41.12 41.21 1fyh n ASP 62 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1fyh n ASP 63 N -2.13 2.60 0.00 -1.12 9.92 -0.65 -4.74 116.55 120.43 1fyh n ASP 63 Ca 0.02 1.05 0.00 0.00 -0.53 0.00 0.00 54.79 55.34 1fyh n ASP 63 Cb 0.45 -1.21 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 1fyh n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fyh n GLN 64 N 5.35 0.00 0.00 -1.24 1.13 -1.26 -1.10 117.38 120.26 1fyh n GLN 64 Ca 0.24 0.11 0.06 0.00 -1.94 0.00 0.00 57.00 55.47 1fyh n GLN 64 Cb 0.18 -0.24 0.34 0.00 0.11 0.00 0.00 30.24 30.63 1fyh n GLN 64 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1fyh n SER 65 N -0.56 0.00 0.00 1.08 3.41 -1.26 -3.28 113.62 113.01 1fyh n SER 65 Ca 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1fyh n SER 65 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1fyh n SER 65 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1fyh n ILE 66 N -0.76 0.68 -0.16 -1.33 -5.35 -0.26 -4.80 119.36 107.38 1fyh n ILE 66 Ca 0.09 -0.71 -0.08 0.00 -0.27 0.00 0.00 62.75 61.78 1fyh n ILE 66 Cb 0.04 0.68 0.01 0.00 -1.74 0.00 0.00 39.64 38.63 1fyh n ILE 66 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1fyh h GLN 67 N 0.00 0.66 -0.58 6.28 4.20 -1.40 -1.74 115.11 122.52 1fyh h GLN 67 Ca 0.00 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 1fyh h GLN 67 Cb 0.58 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1fyh h GLN 67 CO 0.00 0.51 0.09 -0.22 -0.67 0.00 0.00 178.83 178.54 1fyh h LYS 68 N 0.63 0.97 -0.28 1.46 3.11 -1.87 -2.52 116.57 118.07 1fyh h LYS 68 Ca 0.17 -0.26 -0.01 0.00 -2.81 0.00 0.00 60.65 57.74 1fyh h LYS 68 Cb 0.03 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.14 1fyh h LYS 68 CO -0.03 0.92 0.15 0.77 -2.81 0.00 0.00 179.45 178.45 1fyh h SER 69 N 0.87 0.36 -0.83 4.20 0.02 -1.81 -1.31 113.55 115.05 1fyh h SER 69 Ca 0.18 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1fyh h SER 69 Cb 0.43 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1fyh h SER 69 CO 0.01 0.36 0.52 0.58 -1.14 0.00 0.00 176.83 177.16 1fyh h VAL 70 N 0.34 1.23 -0.35 2.27 2.07 -1.30 -1.64 116.25 118.88 1fyh h VAL 70 Ca 0.10 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1fyh h VAL 70 Cb 0.08 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 1fyh h VAL 70 CO -0.01 0.23 0.15 -0.08 0.02 0.00 0.00 177.57 177.88 1fyh h GLU 71 N 1.13 0.51 -0.66 1.57 4.81 -1.26 -0.82 114.58 119.87 1fyh h GLU 71 Ca 0.30 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1fyh h GLU 71 Cb -0.07 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1fyh h GLU 71 CO -0.06 0.48 0.30 1.15 -0.73 0.00 0.00 179.01 180.15 1fyh h THR 72 N 0.42 1.23 -0.38 0.32 2.02 -0.96 -2.21 112.91 113.35 1fyh h THR 72 Ca 0.12 -0.67 -0.14 0.00 0.77 0.00 0.00 66.41 66.49 1fyh h THR 72 Cb 0.15 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1fyh h THR 72 CO -0.01 0.27 -0.31 0.40 0.37 0.00 0.00 175.52 176.24 1fyh h ILE 73 N 0.91 1.28 -0.39 3.11 2.04 -1.16 -1.74 117.51 121.57 1fyh h ILE 73 Ca 0.22 -1.48 -0.06 0.00 1.00 0.00 0.00 64.86 64.54 1fyh h ILE 73 Cb 0.15 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1fyh h ILE 73 CO -0.03 0.49 -0.03 0.11 0.00 0.00 0.00 178.15 178.70 1fyh h LYS 74 N 0.68 0.63 -0.08 2.37 1.57 -1.09 -1.25 116.57 119.41 1fyh h LYS 74 Ca 0.07 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.52 1fyh h LYS 74 Cb 0.90 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1fyh h LYS 74 CO 0.08 0.68 -0.65 1.49 -0.57 0.00 0.00 179.45 180.47 1fyh h GLU 75 N 0.60 0.30 -0.08 3.15 4.57 -1.25 -2.04 114.58 119.83 1fyh h GLU 75 Ca 0.12 -0.22 -0.11 0.00 -1.18 0.00 0.00 59.36 57.97 1fyh h GLU 75 Cb 0.42 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1fyh h GLU 75 CO 0.02 0.85 -0.45 0.22 -1.18 0.00 0.00 179.01 178.47 1fyh h ASP 76 N 0.22 0.19 -0.36 1.04 3.58 -0.85 -2.02 116.42 118.21 1fyh h ASP 76 Ca -0.01 -0.08 -0.11 0.00 0.42 0.00 0.00 57.03 57.24 1fyh h ASP 76 Cb 1.19 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 1fyh h ASP 76 CO 0.11 0.62 -0.19 0.24 -2.88 0.00 0.00 179.24 177.13 1fyh h MET 77 N 0.15 0.84 -0.09 0.28 2.86 -1.08 -0.90 114.93 116.99 1fyh h MET 77 Ca 0.01 -0.33 0.02 0.00 -2.06 0.00 0.00 59.70 57.34 1fyh h MET 77 Cb 0.85 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1fyh h MET 77 CO 0.07 0.96 -0.02 -0.91 1.06 0.00 0.00 176.91 178.06 1fyh h ASN 78 N 0.74 -0.09 0.58 1.22 2.35 -1.08 0.19 115.58 119.49 1fyh h ASN 78 Ca 0.11 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1fyh h ASN 78 Cb 0.71 0.06 0.01 0.00 0.05 0.00 0.00 38.32 39.15 1fyh h ASN 78 CO 0.05 -0.03 -0.28 0.58 -1.65 0.00 0.00 177.43 176.11 1fyh h VAL 79 N -0.00 0.41 -0.39 2.81 2.07 -1.23 -1.48 116.25 118.45 1fyh h VAL 79 Ca 0.04 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1fyh h VAL 79 Cb 0.07 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1fyh h VAL 79 CO -0.09 0.02 0.10 0.11 0.02 0.00 0.00 177.57 177.72 1fyh h LYS 80 N -0.85 0.63 0.03 1.57 1.57 -1.10 -2.23 116.57 116.19 1fyh h LYS 80 Ca -0.08 -0.15 -0.35 0.00 -1.87 0.00 0.00 60.65 58.20 1fyh h LYS 80 Cb 0.62 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 1fyh h LYS 80 CO 0.13 0.66 -2.10 0.34 -0.57 0.00 0.00 179.45 177.90 1fyh n PHE 81 N -4.57 0.58 0.46 -1.35 7.35 0.66 -4.29 117.46 116.30 1fyh n PHE 81 Ca -0.01 0.17 0.08 0.00 -0.76 0.00 0.00 57.45 56.93 1fyh n PHE 81 Cb 0.20 -1.09 0.10 0.00 0.35 0.00 0.00 39.48 39.04 1fyh n PHE 81 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1fyh n PHE 82 N -3.08 0.14 -2.79 -5.13 3.72 -0.64 -4.98 117.46 104.70 1fyh n PHE 82 Ca -0.30 -0.11 -0.20 0.00 -0.05 0.00 0.00 57.45 56.80 1fyh n PHE 82 Cb 1.07 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.62 1fyh n PHE 82 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1fyh n ASN 83 N 0.88 -5.23 -2.07 4.37 5.15 -0.72 -1.54 115.26 116.10 1fyh n ASN 83 Ca 0.11 -0.13 -0.21 0.00 -0.60 0.00 0.00 54.58 53.75 1fyh n ASN 83 Cb 0.41 -4.31 -0.04 0.00 -0.53 0.00 0.00 39.78 35.30 1fyh n ASN 83 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1fyh n SER 84 N -2.20 -5.76 -4.49 1.20 7.64 -0.76 -4.95 113.62 104.30 1fyh n SER 84 Ca -0.14 0.21 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 1fyh n SER 84 Cb 0.63 -4.91 -0.05 0.00 -1.01 0.00 0.00 64.21 58.87 1fyh n SER 84 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1fyh s ASN 85 N -2.35 6.30 0.25 6.43 3.84 -0.59 -4.94 114.94 123.87 1fyh s ASN 85 Ca 0.00 -0.56 -0.04 0.00 0.21 0.00 0.00 52.86 52.48 1fyh s ASN 85 Cb 0.00 -2.38 0.29 0.00 -0.55 0.00 0.00 41.25 38.62 1fyh s ASN 85 CO 0.00 -1.08 1.77 0.50 -2.79 0.00 0.00 177.10 175.51 1fyh h LYS 86 N 9.17 0.92 -0.34 0.43 3.64 -1.93 -2.27 116.57 126.19 1fyh h LYS 86 Ca -0.27 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 58.80 1fyh h LYS 86 Cb 1.08 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1fyh h LYS 86 CO 1.03 0.84 -0.22 -0.22 -2.27 0.00 0.00 179.45 178.61 1fyh h LYS 87 N 0.87 0.65 -0.42 1.90 3.64 -1.98 -0.68 116.57 120.55 1fyh h LYS 87 Ca 0.18 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1fyh h LYS 87 Cb 0.37 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1fyh h LYS 87 CO 0.01 0.82 0.03 -0.22 -2.27 0.00 0.00 179.45 177.82 1fyh h LYS 88 N 0.57 0.72 -0.43 1.90 3.64 -1.85 -1.40 116.57 119.72 1fyh h LYS 88 Ca 0.08 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1fyh h LYS 88 Cb 0.69 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1fyh h LYS 88 CO 0.05 0.78 0.18 -0.09 -2.27 0.00 0.00 179.45 178.10 1fyh h ARG 89 N 0.57 0.63 -0.54 1.90 9.65 -1.34 -2.26 114.38 122.98 1fyh h ARG 89 Ca 0.12 -0.11 -0.08 0.00 -1.10 0.00 0.00 59.98 58.81 1fyh h ARG 89 Cb 0.43 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 1fyh h ARG 89 CO 0.02 0.58 0.02 -0.44 2.80 0.00 0.00 179.97 182.94 1fyh h ASP 90 N 0.55 0.88 -0.50 -3.80 3.32 -0.97 -1.25 116.42 114.66 1fyh h ASP 90 Ca 0.14 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 1fyh h ASP 90 Cb 0.18 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1fyh h ASP 90 CO -0.01 0.93 -0.18 0.44 -1.72 0.00 0.00 179.24 178.70 1fyh h ASP 91 N 0.85 1.03 -0.24 6.45 5.19 -1.20 -2.27 116.42 126.22 1fyh h ASP 91 Ca 0.16 -0.37 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 1fyh h ASP 91 Cb 0.48 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 1fyh h ASP 91 CO 0.02 1.17 0.09 0.15 -3.12 0.00 0.00 179.24 177.55 1fyh h PHE 92 N 0.88 0.37 -0.75 4.55 3.04 -1.14 -2.35 116.94 121.54 1fyh h PHE 92 Ca 0.12 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.05 1fyh h PHE 92 Cb 0.75 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.12 1fyh h PHE 92 CO 0.05 0.40 0.50 1.05 -2.02 0.00 0.00 178.31 178.28 1fyh h GLU 93 N 0.23 0.99 -0.15 1.11 4.11 -1.16 -1.38 114.58 118.33 1fyh h GLU 93 Ca 0.08 -0.06 0.04 0.00 0.07 0.00 0.00 59.36 59.49 1fyh h GLU 93 Cb 0.19 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1fyh h GLU 93 CO -0.01 0.65 -0.14 -0.22 0.07 0.00 0.00 179.01 179.37 1fyh h LYS 94 N 1.01 -0.15 -0.75 1.06 3.64 -1.25 -2.21 116.57 117.92 1fyh h LYS 94 Ca 0.27 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1fyh h LYS 94 Cb -0.12 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1fyh h LYS 94 CO -0.06 -0.10 0.33 -0.07 -2.27 0.00 0.00 179.45 177.28 1fyh h LEU 95 N -0.16 1.00 -1.36 5.20 3.38 -1.09 -2.79 115.31 119.48 1fyh h LEU 95 Ca 0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1fyh h LEU 95 Cb 0.30 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1fyh h LEU 95 CO -0.24 0.87 -0.13 0.71 0.09 0.00 0.00 178.44 179.74 1fyh h THR 96 N 1.08 0.34 -0.45 0.22 1.35 -0.83 -3.23 112.91 111.39 1fyh h THR 96 Ca 0.26 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1fyh h THR 96 Cb 0.16 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1fyh h THR 96 CO -0.03 0.12 0.00 0.59 -0.25 0.00 0.00 175.52 175.96 1fyh n ASN 97 N -3.30 2.80 -4.73 5.36 3.02 -0.87 -4.95 115.26 112.59 1fyh n ASN 97 Ca 0.00 -1.95 -0.41 0.00 -0.03 0.00 0.00 54.58 52.19 1fyh n ASN 97 Cb 0.36 -0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 39.19 1fyh n ASN 97 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1fyh s TYR 98 N -1.41 3.67 -0.30 3.10 2.02 -1.22 -5.00 117.35 118.22 1fyh s TYR 98 Ca 0.36 1.66 -0.23 0.00 -0.37 0.00 0.00 57.07 58.49 1fyh s TYR 98 Cb 0.19 -3.19 -0.00 0.00 -0.40 0.00 0.00 41.96 38.56 1fyh s TYR 98 CO 0.26 -0.30 0.77 0.45 -1.57 0.00 0.00 175.55 175.16 1fyh s SER 99 N 0.16 6.66 0.00 2.29 0.15 -1.26 -4.94 113.70 116.76 1fyh s SER 99 Ca 0.50 0.68 0.12 0.00 0.70 0.00 0.00 55.95 57.95 1fyh s SER 99 Cb -0.26 -2.40 0.69 0.00 -1.71 0.00 0.00 66.02 62.34 1fyh s SER 99 CO 0.32 -0.57 1.30 1.33 1.20 0.00 0.00 173.24 176.82 1fyh n VAL 100 N 5.47 0.00 0.43 4.45 0.24 -1.26 -2.86 118.33 124.80 1fyh n VAL 100 Ca 0.03 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.38 1fyh n VAL 100 Cb 0.48 -0.31 -0.02 0.00 -1.47 0.00 0.00 33.84 32.52 1fyh n VAL 100 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1fyh n THR 101 N -0.72 0.00 -2.63 3.34 -2.24 -1.26 -4.87 114.28 105.91 1fyh n THR 101 Ca 0.09 -0.36 -0.43 0.00 -2.27 0.00 0.00 64.05 61.08 1fyh n THR 101 Cb 0.04 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.32 1fyh n THR 101 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fyh s ASP 102 N -1.53 6.88 0.41 3.42 -1.08 -1.14 -4.92 116.67 118.71 1fyh s ASP 102 Ca 0.06 0.97 0.17 0.00 -0.52 0.00 0.00 52.55 53.23 1fyh s ASP 102 Cb 0.07 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 40.05 1fyh s ASP 102 CO 0.29 -0.94 1.86 -0.07 0.52 0.00 0.00 175.17 176.83 1fyh h LEU 103 N 10.29 0.43 -0.54 -1.34 3.38 -1.91 -0.02 115.31 125.59 1fyh h LEU 103 Ca -0.21 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 1fyh h LEU 103 Cb 1.06 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1fyh h LEU 103 CO 1.05 0.18 -0.56 0.78 0.09 0.00 0.00 178.44 179.97 1fyh h ASN 104 N 0.43 0.55 -0.45 -0.43 2.35 -1.96 -1.66 115.58 114.39 1fyh h ASN 104 Ca 0.47 -0.30 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1fyh h ASN 104 Cb 1.12 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 1fyh h ASN 104 CO -0.18 0.99 0.06 0.58 -1.65 0.00 0.00 177.43 177.24 1fyh h VAL 105 N 0.37 1.25 0.00 2.81 2.07 -1.36 -1.72 116.25 119.68 1fyh h VAL 105 Ca 0.00 -0.92 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 1fyh h VAL 105 Cb 1.10 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1fyh h VAL 105 CO 0.10 0.32 -0.32 1.56 0.02 0.00 0.00 177.57 179.25 1fyh h GLN 106 N 0.62 0.00 0.24 1.57 4.20 -1.08 -1.37 115.11 119.30 1fyh h GLN 106 Ca 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1fyh h GLN 106 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1fyh h GLN 106 CO 0.01 0.32 -0.12 0.00 -0.67 0.00 0.00 178.83 178.38 1fyh h ARG 107 N 0.00 -0.31 -0.80 1.46 3.08 -1.14 -2.33 114.38 114.33 1fyh h ARG 107 Ca -0.00 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.22 1fyh h ARG 107 Cb 0.58 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.60 1fyh h ARG 107 CO 0.04 0.05 0.36 0.87 -1.07 0.00 0.00 179.97 180.23 1fyh h LYS 108 N -0.82 0.50 -0.61 0.04 1.57 -1.22 0.20 116.57 116.23 1fyh h LYS 108 Ca -0.03 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1fyh h LYS 108 Cb 0.51 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1fyh h LYS 108 CO 0.05 0.33 0.11 0.00 -0.57 0.00 0.00 179.45 179.37 1fyh h ALA 109 N 1.56 1.04 -0.00 3.86 0.00 -1.29 -1.54 119.26 122.90 1fyh h ALA 109 Ca 0.44 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 1fyh h ALA 109 Cb 0.67 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1fyh h ALA 109 CO -0.39 0.62 -0.81 0.82 0.00 0.00 0.00 179.25 179.49 1fyh h ILE 110 N 0.92 1.55 -0.37 0.00 1.08 -0.57 -2.97 117.51 117.15 1fyh h ILE 110 Ca 0.19 -2.68 -0.02 0.00 -0.39 0.00 0.00 64.86 61.96 1fyh h ILE 110 Cb 0.39 2.46 -0.02 0.00 -3.07 0.00 0.00 36.82 36.58 1fyh h ILE 110 CO 0.01 0.77 0.17 0.44 -0.69 0.00 0.00 178.15 178.85 1fyh h ASP 111 N 0.02 0.49 0.49 1.72 3.32 0.04 -3.17 116.42 119.34 1fyh h ASP 111 Ca -0.02 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1fyh h ASP 111 Cb 1.42 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1fyh h ASP 111 CO 0.11 0.49 -0.04 -0.62 -1.72 0.00 0.00 179.24 177.46 1fyh n GLU 112 N -4.70 0.52 -0.27 3.56 1.02 -0.65 -4.51 120.64 115.61 1fyh n GLU 112 Ca -0.01 -0.07 0.07 0.00 -0.02 0.00 0.00 57.16 57.14 1fyh n GLU 112 Cb 0.12 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.26 1fyh n GLU 112 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1fyh h LEU 113 N 0.18 0.17 -0.12 -4.62 5.85 -1.49 -0.73 115.31 114.54 1fyh h LEU 113 Ca 0.00 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1fyh h LEU 113 Cb 0.30 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1fyh h LEU 113 CO 0.00 0.01 0.03 0.40 -0.34 0.00 0.00 178.44 178.54 1fyh h ILE 114 N 0.35 1.19 -0.76 4.05 1.08 -1.84 -2.41 117.51 119.17 1fyh h ILE 114 Ca 0.45 -0.59 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1fyh h ILE 114 Cb 0.78 1.36 -0.04 0.00 -3.07 0.00 0.00 36.82 35.85 1fyh h ILE 114 CO -0.49 0.18 0.45 1.56 -0.69 0.00 0.00 178.15 179.15 1fyh h GLN 115 N 0.00 1.04 -0.52 2.37 4.20 -1.75 -2.50 115.11 117.95 1fyh h GLN 115 Ca 0.04 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1fyh h GLN 115 Cb 0.24 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1fyh h GLN 115 CO -0.00 0.74 0.32 0.28 -0.67 0.00 0.00 178.83 179.50 1fyh h VAL 116 N 1.05 1.15 -0.08 -0.54 2.07 -0.99 -1.16 116.25 117.75 1fyh h VAL 116 Ca 0.27 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1fyh h VAL 116 Cb -0.02 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1fyh h VAL 116 CO -0.05 0.15 -0.12 0.24 0.02 0.00 0.00 177.57 177.81 1fyh h MET 117 N 0.70 0.12 0.13 1.57 2.86 -1.04 -1.43 114.93 117.83 1fyh h MET 117 Ca 0.19 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1fyh h MET 117 Cb -0.03 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1fyh h MET 117 CO -0.04 0.25 -0.06 0.00 1.06 0.00 0.00 176.91 178.12 1fyh h ALA 118 N 1.76 -0.17 0.00 6.32 0.00 -0.91 0.06 119.26 126.32 1fyh h ALA 118 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1fyh h ALA 118 Cb 0.29 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1fyh h ALA 118 CO 0.02 -0.52 0.06 0.93 0.00 0.00 0.00 179.25 179.74 1fyh h GLU 119 N -0.33 0.00 -0.01 0.00 4.39 -0.25 0.91 114.58 119.29 1fyh h GLU 119 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1fyh h GLU 119 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1fyh h GLU 119 CO 0.03 0.00 -0.15 1.28 -1.16 0.00 0.00 179.01 179.01 1fyh n LEU 120 N -2.95 1.35 0.00 1.33 4.77 -0.68 -4.92 117.00 115.90 1fyh n LEU 120 Ca -0.03 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1fyh n LEU 120 Cb 0.12 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1fyh n LEU 120 CO 0.18 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1fyh n GLY 121 N 1.27 0.63 3.88 -0.72 0.00 0.31 -4.93 105.19 105.64 1fyh n GLY 121 Ca 0.15 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1fyh n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fyh s ALA 122 N -2.00 3.77 -0.52 4.61 0.00 -0.04 -5.02 121.76 122.57 1fyh s ALA 122 Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 1fyh s ALA 122 Cb 0.00 -2.19 0.14 0.00 0.00 0.00 0.00 23.12 21.07 1fyh s ALA 122 CO 0.00 0.61 0.38 -0.80 0.00 0.00 0.00 175.76 175.94 1fyh s ASN 123 N -1.86 5.62 0.44 0.00 0.01 -1.26 -4.33 114.94 113.56 1fyh s ASN 123 Ca 0.33 -2.19 -0.24 0.00 -0.71 0.00 0.00 52.86 50.04 1fyh s ASN 123 Cb -0.13 -1.96 -0.08 0.00 0.41 0.00 0.00 41.25 39.49 1fyh s ASN 123 CO 0.19 -0.59 1.25 0.68 -1.51 0.00 0.00 177.10 177.12 1fyh s VAL 124 N 0.93 2.76 0.79 1.60 -7.23 -1.26 -5.05 120.40 112.94 1fyh s VAL 124 Ca 0.10 0.62 -0.12 0.00 -1.81 0.00 0.00 61.98 60.77 1fyh s VAL 124 Cb -0.23 -3.34 0.07 0.00 0.56 0.00 0.00 36.38 33.44 1fyh s VAL 124 CO -0.03 0.04 1.11 -0.94 -0.31 0.00 0.00 175.10 174.97 1fyh s SER 201 N -1.02 4.55 0.28 4.85 1.04 -1.26 -4.95 113.70 117.18 1fyh s SER 201 Ca 0.61 1.21 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1fyh s SER 201 Cb -0.34 -1.93 0.39 0.00 0.10 0.00 0.00 66.02 64.24 1fyh s SER 201 CO 0.43 -1.92 1.75 1.23 0.98 0.00 0.00 173.24 175.71 1fyh h GLY 202 N -1.06 0.68 0.88 7.32 0.00 -2.00 -2.86 103.07 106.03 1fyh h GLY 202 Ca -0.47 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.35 1fyh h GLY 202 CO 0.61 0.45 -0.30 -2.09 0.00 0.00 0.00 176.54 175.21 1fyh h GLU 203 N 0.58 -0.72 -0.78 4.80 4.57 -2.01 -2.62 114.58 118.41 1fyh h GLU 203 Ca 0.10 0.05 0.18 0.00 -1.18 0.00 0.00 59.36 58.51 1fyh h GLU 203 Cb 0.54 0.16 -0.13 0.00 -0.16 0.00 0.00 28.75 29.16 1fyh h GLU 203 CO 0.03 -0.48 0.07 0.35 -1.18 0.00 0.00 179.01 177.80 1fyh h PHE 204 N -0.75 0.06 -0.70 0.92 3.04 -1.89 0.15 116.94 117.77 1fyh h PHE 204 Ca -0.06 0.05 0.02 0.00 3.98 0.00 0.00 57.97 61.96 1fyh h PHE 204 Cb 0.61 0.09 -0.04 0.00 2.56 0.00 0.00 35.95 39.18 1fyh h PHE 204 CO -0.09 -0.22 0.47 0.28 -2.02 0.00 0.00 178.31 176.73 1fyh h VAL 205 N 0.14 1.16 -0.05 1.41 2.07 -1.28 -2.12 116.25 117.57 1fyh h VAL 205 Ca 0.44 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.56 1fyh h VAL 205 Cb 0.80 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1fyh h VAL 205 CO -0.64 0.17 -0.30 0.11 0.02 0.00 0.00 177.57 176.93 1fyh h LYS 206 N 0.92 0.29 -0.71 1.57 1.57 -0.62 -2.87 116.57 116.72 1fyh h LYS 206 Ca 0.27 -0.25 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1fyh h LYS 206 Cb -0.05 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1fyh h LYS 206 CO -0.06 0.90 0.47 0.93 -0.57 0.00 0.00 179.45 181.12 1fyh h GLU 207 N -0.24 0.58 0.00 3.15 4.39 -1.23 0.11 114.58 121.34 1fyh h GLU 207 Ca -0.02 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1fyh h GLU 207 Cb 0.97 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1fyh h GLU 207 CO 0.06 0.38 -0.29 0.00 -1.16 0.00 0.00 179.01 178.00 1fyh h ALA 208 N 1.64 1.22 0.00 3.43 0.00 -1.35 -2.53 119.26 121.67 1fyh h ALA 208 Ca 0.33 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1fyh h ALA 208 Cb 0.49 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1fyh h ALA 208 CO -0.11 0.36 -0.55 0.93 0.00 0.00 0.00 179.25 179.88 1fyh h GLU 209 N 0.00 0.00 0.67 0.00 5.08 -0.56 -2.00 114.58 117.77 1fyh h GLU 209 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1fyh h GLU 209 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1fyh h GLU 209 CO 0.04 0.55 -0.50 -0.97 -1.00 0.00 0.00 179.01 177.12 1fyh h ASN 210 N 0.00 -1.31 -0.91 1.42 -0.73 -1.00 -2.00 115.58 111.05 1fyh h ASN 210 Ca -0.01 0.09 0.11 0.00 1.87 0.00 0.00 56.30 58.36 1fyh h ASN 210 Cb 1.26 0.41 -0.07 0.00 0.27 0.00 0.00 38.32 40.19 1fyh h ASN 210 CO 0.07 -0.72 0.58 -0.07 -0.37 0.00 0.00 177.43 176.93 1fyh h LEU 211 N -1.12 0.79 -1.67 0.34 3.38 -1.48 0.49 115.31 116.03 1fyh h LEU 211 Ca -0.09 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1fyh h LEU 211 Cb 0.93 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1fyh h LEU 211 CO 0.03 0.44 -0.19 0.11 0.09 0.00 0.00 178.44 178.92 1fyh h LYS 212 N 0.86 0.00 0.29 1.13 1.57 -1.12 -2.17 116.57 117.13 1fyh h LYS 212 Ca 0.44 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.20 1fyh h LYS 212 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1fyh h LYS 212 CO -0.20 0.19 -0.14 0.87 -0.57 0.00 0.00 179.45 179.60 1fyh h LYS 213 N 0.00 -0.37 -0.35 3.15 1.57 -0.19 -1.65 116.57 118.72 1fyh h LYS 213 Ca -0.00 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1fyh h LYS 213 Cb 0.38 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 1fyh h LYS 213 CO 0.02 -0.13 -0.44 -0.92 -0.57 0.00 0.00 179.45 177.41 1fyh h TYR 214 N -1.04 -1.36 0.00 -1.35 5.03 -1.17 -2.10 116.97 114.97 1fyh h TYR 214 Ca -0.04 0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 1fyh h TYR 214 Cb 0.41 0.64 -0.01 0.00 1.55 0.00 0.00 36.73 39.33 1fyh h TYR 214 CO 0.03 -0.38 -0.19 0.74 -1.32 0.00 0.00 178.16 177.04 1fyh h PHE 215 N -0.29 0.00 0.00 -3.82 -1.00 -1.54 -3.51 116.94 106.78 1fyh h PHE 215 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1fyh h PHE 215 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1fyh h PHE 215 CO -0.72 0.19 0.00 0.09 -1.61 0.00 0.00 178.31 176.26 1fyh n ASN 216 N -3.50 0.00 0.00 2.17 3.02 -0.62 -4.88 115.26 111.44 1fyh n ASN 216 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1fyh n ASN 216 Cb 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1fyh n ASN 216 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1fyh n ASP 224 N 2.13 0.00 -2.22 6.41 -0.08 -1.26 -4.76 116.55 116.78 1fyh n ASP 224 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 1fyh n ASP 224 Cb 0.00 0.00 0.09 0.00 2.34 0.00 0.00 41.12 43.55 1fyh n ASP 224 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1fyh n ASN 225 N 0.00 6.59 -3.81 1.67 3.02 -1.26 -4.88 115.26 116.59 1fyh n ASN 225 Ca 0.00 -3.61 -0.13 0.00 -0.03 0.00 0.00 54.58 50.82 1fyh n ASN 225 Cb 0.00 -0.95 -0.13 0.00 -0.61 0.00 0.00 39.78 38.09 1fyh n ASN 225 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1fyh s GLY 226 N -1.36 -0.08 0.40 7.41 0.00 -1.26 -5.17 107.32 107.26 1fyh s GLY 226 Ca 0.57 0.43 0.08 0.00 0.00 0.00 0.00 44.72 45.79 1fyh s GLY 226 CO 0.02 0.46 0.44 -0.51 0.00 0.00 0.00 173.10 173.51 1fyh s THR 227 N 0.32 2.97 -0.18 0.90 -4.23 -1.26 -5.05 115.64 109.11 1fyh s THR 227 Ca -0.02 -1.21 -0.16 0.00 -1.18 0.00 0.00 61.69 59.12 1fyh s THR 227 Cb -0.03 -3.05 -0.12 0.00 1.34 0.00 0.00 72.50 70.64 1fyh s THR 227 CO -0.01 -0.03 0.03 0.25 -0.54 0.00 0.00 174.62 174.32 1fyh h LEU 228 N 0.92 0.00 0.00 4.79 5.85 -1.98 -3.46 115.31 121.43 1fyh h LEU 228 Ca -0.42 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 57.94 1fyh h LEU 228 Cb 1.27 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1fyh h LEU 228 CO 0.53 1.15 -1.38 0.49 -0.34 0.00 0.00 178.44 178.89 1fyh n PHE 229 N -4.52 0.00 -0.14 1.25 3.72 -1.26 -4.75 117.46 111.77 1fyh n PHE 229 Ca -0.21 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.15 1fyh n PHE 229 Cb 0.49 -0.27 0.16 0.00 -0.94 0.00 0.00 39.48 38.91 1fyh n PHE 229 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1fyh h LEU 230 N 0.00 0.81 -0.64 4.37 3.38 -1.95 -2.26 115.31 119.01 1fyh h LEU 230 Ca -0.15 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.51 1fyh h LEU 230 Cb 1.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1fyh h LEU 230 CO 0.00 0.83 -0.43 1.23 0.09 0.00 0.00 178.44 180.17 1fyh h GLY 231 N 0.99 0.63 0.92 0.83 0.00 -1.88 -2.25 103.07 102.31 1fyh h GLY 231 Ca 0.17 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1fyh h GLY 231 CO 0.01 0.58 0.01 -2.22 0.00 0.00 0.00 176.54 174.92 1fyh h ILE 232 N 0.47 1.26 0.00 2.60 2.04 -1.81 -2.71 117.51 119.35 1fyh h ILE 232 Ca 0.04 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 1fyh h ILE 232 Cb 0.94 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1fyh h ILE 232 CO 0.08 0.32 -0.09 -0.07 0.00 0.00 0.00 178.15 178.39 1fyh h LEU 233 N 0.46 0.00 -0.16 1.44 3.38 -1.32 -1.42 115.31 117.68 1fyh h LEU 233 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1fyh h LEU 233 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1fyh h LEU 233 CO 0.02 0.09 0.00 0.11 0.09 0.00 0.00 178.44 178.75 1fyh h LYS 234 N 0.00 0.00 0.00 1.13 1.57 -1.08 -3.31 116.57 114.87 1fyh h LYS 234 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1fyh h LYS 234 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1fyh h LYS 234 CO 0.01 0.00 -0.12 -0.91 -0.57 0.00 0.00 179.45 177.86 1fyh h ASN 235 N 0.00 0.00 -3.17 0.86 2.35 -1.10 -3.44 115.58 111.07 1fyh h ASN 235 Ca 0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 1fyh h ASN 235 Cb 0.88 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 38.91 1fyh h ASN 235 CO 0.00 0.12 -0.85 0.26 -1.65 0.00 0.00 177.43 175.31 1fyh s TRP 236 N -3.47 2.41 -0.11 1.19 0.52 -1.25 -5.02 118.94 113.21 1fyh s TRP 236 Ca 0.03 -1.27 0.13 0.00 0.02 0.00 0.00 56.10 55.01 1fyh s TRP 236 Cb 0.08 -1.69 -0.19 0.00 -1.15 0.00 0.00 33.47 30.52 1fyh s TRP 236 CO 0.62 -0.63 0.12 1.63 0.02 0.00 0.00 176.95 178.71 1fyh n LYS 237 N 4.35 1.41 -2.27 4.98 4.76 -1.26 -4.74 118.16 125.38 1fyh n LYS 237 Ca -0.19 -0.04 -0.40 0.00 -2.87 0.00 0.00 58.31 54.81 1fyh n LYS 237 Cb 0.51 -1.36 -0.03 0.00 -1.84 0.00 0.00 35.03 32.31 1fyh n LYS 237 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1fyh s GLU 238 N -2.51 4.34 0.37 1.97 2.02 -1.26 -4.90 118.70 118.72 1fyh s GLU 238 Ca -0.07 1.99 0.04 0.00 0.02 0.00 0.00 54.97 56.95 1fyh s GLU 238 Cb 0.05 -2.98 0.70 0.00 0.10 0.00 0.00 34.13 32.00 1fyh s GLU 238 CO 0.59 -0.12 2.02 1.49 0.02 0.00 0.00 175.26 179.26 1fyh h GLU 239 N 3.26 0.75 -0.37 1.61 4.57 -1.99 -1.76 114.58 120.66 1fyh h GLU 239 Ca -0.48 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 57.53 1fyh h GLU 239 Cb 1.23 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 1fyh h GLU 239 CO 0.65 0.50 -0.28 0.77 -1.18 0.00 0.00 179.01 179.46 1fyh h SER 240 N 0.77 0.80 -0.60 1.04 0.02 -1.95 -1.52 113.55 112.10 1fyh h SER 240 Ca 0.21 -0.31 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1fyh h SER 240 Cb -0.09 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.21 1fyh h SER 240 CO -0.04 1.03 0.10 0.44 -1.14 0.00 0.00 176.83 177.22 1fyh h ASP 241 N 0.66 0.98 -0.56 3.07 3.32 -1.86 -2.54 116.42 119.49 1fyh h ASP 241 Ca 0.08 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 1fyh h ASP 241 Cb 0.81 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1fyh h ASP 241 CO 0.07 0.98 0.15 0.03 -1.72 0.00 0.00 179.24 178.75 1fyh h ARG 242 N 0.96 0.89 -0.20 3.56 3.08 -1.03 -2.90 114.38 118.74 1fyh h ARG 242 Ca 0.19 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1fyh h ARG 242 Cb 0.42 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1fyh h ARG 242 CO 0.01 0.82 -0.15 0.87 -1.07 0.00 0.00 179.97 180.45 1fyh h LYS 243 N 0.79 0.33 -0.50 0.04 1.79 -1.13 0.15 116.57 118.04 1fyh h LYS 243 Ca 0.18 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1fyh h LYS 243 Cb 0.32 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 1fyh h LYS 243 CO -0.00 0.48 0.22 0.82 -1.08 0.00 0.00 179.45 179.89 1fyh h ILE 244 N 0.31 1.21 0.06 1.86 2.04 -1.26 -1.72 117.51 120.00 1fyh h ILE 244 Ca 0.06 -0.62 -0.23 0.00 1.00 0.00 0.00 64.86 65.08 1fyh h ILE 244 Cb 0.45 0.67 0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1fyh h ILE 244 CO 0.03 0.24 -0.92 0.24 0.00 0.00 0.00 178.15 177.73 1fyh h MET 245 N 0.67 0.52 -0.13 2.37 2.86 -1.28 -3.27 114.93 116.67 1fyh h MET 245 Ca 0.17 -0.64 -0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1fyh h MET 245 Cb 0.17 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1fyh h MET 245 CO -0.02 1.26 0.07 1.96 1.06 0.00 0.00 176.91 181.24 1fyh h GLN 246 N 0.07 0.18 -0.49 1.72 4.20 -0.69 -2.08 115.11 118.01 1fyh h GLN 246 Ca -0.13 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1fyh h GLN 246 Cb 1.63 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.35 1fyh h GLN 246 CO 0.18 0.14 0.24 1.03 -0.67 0.00 0.00 178.83 179.74 1fyh h SER 247 N 0.18 0.64 0.56 1.46 0.87 -1.36 -1.98 113.55 113.92 1fyh h SER 247 Ca 0.05 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.39 1fyh h SER 247 Cb 0.01 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1fyh h SER 247 CO -0.01 0.59 -0.46 1.56 -0.53 0.00 0.00 176.83 177.99 1fyh h GLN 248 N 0.65 0.00 -0.13 2.24 1.08 -1.48 -2.36 115.11 115.11 1fyh h GLN 248 Ca 0.17 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.22 1fyh h GLN 248 Cb 0.12 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1fyh h GLN 248 CO -0.02 0.46 -0.52 0.82 -0.95 0.00 0.00 178.83 178.61 1fyh h ILE 249 N 0.00 1.34 -0.65 2.54 2.04 -1.13 -2.64 117.51 119.01 1fyh h ILE 249 Ca -0.00 -1.81 -0.09 0.00 1.00 0.00 0.00 64.86 63.96 1fyh h ILE 249 Cb 0.86 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 1fyh h ILE 249 CO 0.06 0.55 0.07 0.58 0.00 0.00 0.00 178.15 179.41 1fyh h VAL 250 N 0.22 1.27 -0.05 1.67 2.07 -1.39 -1.96 116.25 118.08 1fyh h VAL 250 Ca -0.03 -1.08 -0.13 0.00 0.82 0.00 0.00 66.70 66.28 1fyh h VAL 250 Cb 1.16 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1fyh h VAL 250 CO 0.11 0.40 -0.56 0.77 0.02 0.00 0.00 177.57 178.32 1fyh h SER 251 N 1.02 0.16 -0.41 0.57 4.64 -1.50 -1.14 113.55 116.89 1fyh h SER 251 Ca 0.19 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 1fyh h SER 251 Cb 0.49 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1fyh h SER 251 CO 0.02 0.68 0.02 0.15 -0.87 0.00 0.00 176.83 176.83 1fyh h PHE 252 N 0.11 0.76 -0.27 4.77 3.04 -1.12 -2.76 116.94 121.48 1fyh h PHE 252 Ca -0.00 -0.13 -0.02 0.00 3.98 0.00 0.00 57.97 61.80 1fyh h PHE 252 Cb 1.02 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 1fyh h PHE 252 CO 0.01 0.77 0.10 1.88 -2.02 0.00 0.00 178.31 179.04 1fyh h TYR 253 N 0.54 0.42 -0.13 0.41 0.05 -1.25 -1.44 116.97 115.57 1fyh h TYR 253 Ca 0.12 -0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.90 1fyh h TYR 253 Cb 0.45 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1fyh h TYR 253 CO 0.03 0.44 0.12 0.74 -1.05 0.00 0.00 178.16 178.44 1fyh h PHE 254 N 0.27 0.00 0.19 4.88 -1.00 -1.17 0.17 116.94 120.28 1fyh h PHE 254 Ca 0.09 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.62 1fyh h PHE 254 Cb 0.21 0.00 0.03 0.00 3.61 0.00 0.00 35.95 39.80 1fyh h PHE 254 CO -0.00 0.00 -1.08 -0.22 -1.61 0.00 0.00 178.31 175.40 1fyh h LYS 255 N 0.00 0.40 -0.70 1.51 3.64 -1.27 -2.67 116.57 117.48 1fyh h LYS 255 Ca 0.06 -0.68 -0.02 0.00 -1.27 0.00 0.00 60.65 58.75 1fyh h LYS 255 Cb 0.29 0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1fyh h LYS 255 CO -0.00 1.32 0.36 1.25 -2.27 0.00 0.00 179.45 180.12 1fyh h LEU 256 N -0.17 0.89 -0.69 5.20 5.85 -0.14 -2.55 115.31 123.70 1fyh h LEU 256 Ca -0.19 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.33 1fyh h LEU 256 Cb 1.85 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 1fyh h LEU 256 CO 0.20 0.75 0.04 -0.26 -0.34 0.00 0.00 178.44 178.83 1fyh h PHE 257 N 0.97 1.13 -0.50 1.25 0.04 -0.80 -3.10 116.94 115.92 1fyh h PHE 257 Ca 0.24 -0.18 0.04 0.00 2.80 0.00 0.00 57.97 60.87 1fyh h PHE 257 Cb 0.07 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 37.88 1fyh h PHE 257 CO 0.00 0.98 0.27 -0.22 -0.60 0.00 0.00 178.31 178.74 1fyh h LYS 258 N 0.96 0.51 0.00 1.51 3.64 -1.17 0.25 116.57 122.28 1fyh h LYS 258 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1fyh h LYS 258 Cb 0.51 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1fyh h LYS 258 CO 0.02 0.34 0.00 0.09 -2.27 0.00 0.00 179.45 177.63 1fyh n ASN 259 N -4.86 0.00 0.00 4.20 5.03 -0.99 -2.97 115.26 115.67 1fyh n ASN 259 Ca 0.04 -0.37 0.00 0.00 0.87 0.00 0.00 54.58 55.12 1fyh n ASN 259 Cb 0.11 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 38.78 1fyh n ASN 259 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1fyh n PHE 260 N -1.09 0.00 -0.25 3.10 3.72 -0.82 -4.90 117.46 117.21 1fyh n PHE 260 Ca 0.12 -0.05 0.05 0.00 -0.05 0.00 0.00 57.45 57.52 1fyh n PHE 260 Cb 0.09 -0.01 0.16 0.00 -0.94 0.00 0.00 39.48 38.78 1fyh n PHE 260 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1fyh h LYS 261 N 0.00 0.14 -2.30 -1.08 3.64 -0.42 -2.84 116.57 113.72 1fyh h LYS 261 Ca 0.00 -0.01 -0.63 0.00 -1.27 0.00 0.00 60.65 58.74 1fyh h LYS 261 Cb 0.74 -0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 32.13 1fyh h LYS 261 CO 0.00 0.09 -0.37 -0.25 -2.27 0.00 0.00 179.45 176.65 1fyh n ASP 262 N -5.29 4.50 -4.18 4.20 8.00 -1.26 -4.74 116.55 117.79 1fyh n ASP 262 Ca 0.13 -3.54 -0.34 0.00 0.71 0.00 0.00 54.79 51.76 1fyh n ASP 262 Cb 0.46 -0.72 -0.15 0.00 -0.02 0.00 0.00 41.12 40.69 1fyh n ASP 262 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1fyh s ASP 263 N -2.68 3.82 0.00 -2.24 2.15 -1.07 -5.05 116.67 111.60 1fyh s ASP 263 Ca 0.42 -0.73 0.00 0.00 0.43 0.00 0.00 52.55 52.67 1fyh s ASP 263 Cb 0.19 -1.59 0.00 0.00 -0.30 0.00 0.00 42.92 41.22 1fyh s ASP 263 CO -0.05 -0.06 0.36 0.00 -0.17 0.00 0.00 175.17 175.25 1fyh n GLN 264 N 4.65 0.00 -0.02 4.34 6.02 -1.26 -0.33 117.38 130.78 1fyh n GLN 264 Ca -0.18 0.36 -0.04 0.00 -0.01 0.00 0.00 57.00 57.12 1fyh n GLN 264 Cb 0.49 -0.67 -0.03 0.00 1.02 0.00 0.00 30.24 31.05 1fyh n GLN 264 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1fyh h SER 265 N 0.00 -0.50 -0.28 1.08 4.64 -2.00 -3.18 113.55 113.31 1fyh h SER 265 Ca 0.00 0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 1fyh h SER 265 Cb 0.00 0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 1fyh h SER 265 CO 0.00 -0.12 0.09 2.30 -0.87 0.00 0.00 176.83 178.23 1fyh n ILE 266 N -3.40 1.36 0.11 0.95 -5.35 -1.19 -4.46 119.36 107.38 1fyh n ILE 266 Ca -0.01 -0.62 -0.03 0.00 -0.27 0.00 0.00 62.75 61.82 1fyh n ILE 266 Cb 0.10 -0.55 0.07 0.00 -1.74 0.00 0.00 39.64 37.52 1fyh n ILE 266 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 1fyh h GLN 267 N 1.13 0.00 0.00 6.28 3.07 -0.65 -2.87 115.11 122.06 1fyh h GLN 267 Ca 0.09 -0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.66 1fyh h GLN 267 Cb 1.31 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.85 1fyh h GLN 267 CO 0.28 0.75 -1.09 -0.22 0.09 0.00 0.00 178.83 178.64 1fyh h LYS 268 N 0.00 0.00 0.00 0.06 3.11 -1.84 -3.11 116.57 114.80 1fyh h LYS 268 Ca -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1fyh h LYS 268 Cb 1.32 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.55 1fyh h LYS 268 CO 0.10 0.52 0.00 0.43 -2.81 0.00 0.00 179.45 177.68 1fyh n SER 269 N -3.10 0.00 -0.21 4.20 7.64 -1.19 -1.94 113.62 119.02 1fyh n SER 269 Ca -0.05 0.88 0.04 0.00 1.01 0.00 0.00 58.87 60.76 1fyh n SER 269 Cb 0.85 -0.41 0.09 0.00 -1.01 0.00 0.00 64.21 63.74 1fyh n SER 269 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1fyh n VAL 270 N -1.73 -0.24 -0.12 0.44 0.31 -1.09 0.20 118.33 116.10 1fyh n VAL 270 Ca 0.00 1.32 -0.06 0.00 -0.01 0.00 0.00 64.34 65.59 1fyh n VAL 270 Cb 0.00 -1.84 0.12 0.00 -0.91 0.00 0.00 33.84 31.21 1fyh n VAL 270 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1fyh h GLU 271 N 0.00 0.84 -0.01 5.55 4.39 -1.48 -2.06 114.58 121.81 1fyh h GLU 271 Ca 0.29 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1fyh h GLU 271 Cb 0.46 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1fyh h GLU 271 CO -0.59 0.88 -0.00 1.15 -1.16 0.00 0.00 179.01 179.29 1fyh h THR 272 N 0.77 1.32 0.55 1.13 2.02 0.29 -2.95 112.91 116.04 1fyh h THR 272 Ca 0.14 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 1fyh h THR 272 Cb 0.55 1.95 0.01 0.00 -1.74 0.00 0.00 68.15 68.92 1fyh h THR 272 CO 0.03 0.25 -0.26 0.40 0.37 0.00 0.00 175.52 176.31 1fyh h ILE 273 N -0.39 0.46 -0.98 3.11 2.04 -1.46 -2.98 117.51 117.31 1fyh h ILE 273 Ca 0.00 -0.04 0.28 0.00 1.00 0.00 0.00 64.86 66.10 1fyh h ILE 273 Cb 0.41 0.47 -0.18 0.00 -0.74 0.00 0.00 36.82 36.78 1fyh h ILE 273 CO 0.00 0.01 0.05 1.17 0.00 0.00 0.00 178.15 179.38 1fyh n LYS 274 N -5.40 -0.08 0.09 2.37 0.00 -0.78 -0.81 118.16 113.56 1fyh n LYS 274 Ca -0.12 1.46 -0.05 0.00 0.00 0.00 0.00 58.31 59.60 1fyh n LYS 274 Cb 0.31 -2.33 -0.02 0.00 0.00 0.00 0.00 35.03 32.99 1fyh n LYS 274 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1fyh h GLU 275 N 0.00 0.00 0.00 1.64 4.57 -1.37 -2.67 114.58 116.75 1fyh h GLU 275 Ca 0.61 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.62 1fyh h GLU 275 Cb 1.28 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 1fyh h GLU 275 CO -0.91 0.86 -0.81 -0.44 -1.18 0.00 0.00 179.01 176.54 1fyh h ASP 276 N 0.00 0.03 -0.30 1.04 3.32 -0.86 -1.82 116.42 117.83 1fyh h ASP 276 Ca -0.01 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1fyh h ASP 276 Cb 1.53 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.06 1fyh h ASP 276 CO 0.11 0.82 0.13 -0.03 -1.72 0.00 0.00 179.24 178.55 1fyh h MET 277 N 0.01 0.44 -0.56 3.56 4.05 -1.22 -2.55 114.93 118.66 1fyh h MET 277 Ca -0.01 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.33 1fyh h MET 277 Cb 1.42 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 32.12 1fyh h MET 277 CO 0.11 0.44 0.35 -0.91 0.23 0.00 0.00 176.91 177.13 1fyh h ASN 278 N 0.34 0.67 -0.72 1.39 2.35 -1.35 -1.77 115.58 116.50 1fyh h ASN 278 Ca 0.10 -0.05 0.07 0.00 -0.55 0.00 0.00 56.30 55.87 1fyh h ASN 278 Cb 0.15 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.30 1fyh h ASN 278 CO -0.01 0.52 0.41 0.58 -1.65 0.00 0.00 177.43 177.27 1fyh h VAL 279 N 0.76 0.96 0.03 2.81 2.07 -1.21 -2.18 116.25 119.49 1fyh h VAL 279 Ca 0.20 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1fyh h VAL 279 Cb -0.04 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1fyh h VAL 279 CO -0.04 0.13 -0.01 0.50 0.02 0.00 0.00 177.57 178.17 1fyh h LYS 280 N 0.73 -0.03 -0.37 1.57 1.63 -1.30 -1.82 116.57 116.99 1fyh h LYS 280 Ca 0.33 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.11 1fyh h LYS 280 Cb 0.22 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1fyh h LYS 280 CO -0.19 0.67 0.17 0.35 -3.45 0.00 0.00 179.45 176.99 1fyh h PHE 281 N -0.92 0.54 -0.10 1.91 3.57 -1.38 -2.66 116.94 117.91 1fyh h PHE 281 Ca -0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1fyh h PHE 281 Cb 0.72 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1fyh h PHE 281 CO 0.19 0.47 0.00 1.19 -2.23 0.00 0.00 178.31 177.93 1fyh n PHE 282 N -4.70 0.12 -3.96 0.41 3.72 -0.82 -4.93 117.46 107.29 1fyh n PHE 282 Ca -0.01 -0.06 -0.31 0.00 -0.05 0.00 0.00 57.45 57.03 1fyh n PHE 282 Cb 0.12 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.68 1fyh n PHE 282 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1fyh n ASN 283 N 0.10 -4.21 -3.56 4.37 5.15 -0.93 -2.26 115.26 113.92 1fyh n ASN 283 Ca 0.17 -0.83 -0.20 0.00 -0.60 0.00 0.00 54.58 53.12 1fyh n ASN 283 Cb 0.30 -3.66 0.06 0.00 -0.53 0.00 0.00 39.78 35.94 1fyh n ASN 283 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1fyh n SER 284 N -2.82 -2.36 -3.86 1.20 7.64 -0.73 -5.00 113.62 107.70 1fyh n SER 284 Ca 0.02 -0.76 -0.29 0.00 1.01 0.00 0.00 58.87 58.85 1fyh n SER 284 Cb 0.53 -4.49 -0.16 0.00 -1.01 0.00 0.00 64.21 59.08 1fyh n SER 284 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1fyh s ASN 285 N -4.19 3.44 0.30 6.43 3.84 -0.96 -4.99 114.94 118.81 1fyh s ASN 285 Ca 0.09 -1.01 0.08 0.00 0.21 0.00 0.00 52.86 52.22 1fyh s ASN 285 Cb -0.02 -0.94 0.47 0.00 -0.55 0.00 0.00 41.25 40.21 1fyh s ASN 285 CO 0.78 -0.26 1.70 0.11 -2.79 0.00 0.00 177.10 176.64 1fyh h LYS 286 N 8.08 0.18 -0.36 0.43 1.57 -1.95 -1.92 116.57 122.59 1fyh h LYS 286 Ca -0.17 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 1fyh h LYS 286 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1fyh h LYS 286 CO 0.38 0.59 0.02 -0.22 -0.57 0.00 0.00 179.45 179.65 1fyh h LYS 287 N 0.15 0.63 -0.60 3.15 3.64 -1.97 -1.06 116.57 120.51 1fyh h LYS 287 Ca 0.01 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.10 1fyh h LYS 287 Cb 0.84 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1fyh h LYS 287 CO 0.07 0.73 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.74 1fyh h LYS 288 N 0.45 1.07 -0.54 1.90 3.64 -1.88 -1.77 116.57 119.45 1fyh h LYS 288 Ca 0.11 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 1fyh h LYS 288 Cb 0.43 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1fyh h LYS 288 CO 0.02 1.05 0.27 -0.09 -2.27 0.00 0.00 179.45 178.42 1fyh h ARG 289 N 0.97 0.77 -0.38 1.90 1.12 -1.19 -2.13 114.38 115.43 1fyh h ARG 289 Ca 0.17 -0.11 -0.12 0.00 -1.11 0.00 0.00 59.98 58.81 1fyh h ARG 289 Cb 0.58 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 1fyh h ARG 289 CO 0.03 0.62 -0.24 -0.44 -3.11 0.00 0.00 179.97 176.84 1fyh h ASP 290 N 0.72 0.87 -0.41 -3.80 3.32 -1.04 -1.88 116.42 114.20 1fyh h ASP 290 Ca 0.18 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 56.84 1fyh h ASP 290 Cb 0.10 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1fyh h ASP 290 CO -0.02 1.11 0.22 0.44 -1.72 0.00 0.00 179.24 179.26 1fyh h ASP 291 N 0.64 0.33 -0.98 6.45 5.19 -1.22 -1.45 116.42 125.37 1fyh h ASP 291 Ca 0.08 0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.51 1fyh h ASP 291 Cb 0.81 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 40.22 1fyh h ASP 291 CO 0.07 0.24 0.64 0.15 -3.12 0.00 0.00 179.24 177.21 1fyh h PHE 292 N 0.44 1.25 -0.02 4.55 3.57 -1.25 -2.16 116.94 123.31 1fyh h PHE 292 Ca 0.17 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.56 1fyh h PHE 292 Cb 0.06 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 1fyh h PHE 292 CO -0.09 0.79 -0.63 0.93 -2.23 0.00 0.00 178.31 177.08 1fyh h GLU 293 N 1.34 0.07 0.33 1.11 5.08 -0.76 -2.26 114.58 119.49 1fyh h GLU 293 Ca 0.36 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1fyh h GLU 293 Cb -0.13 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1fyh h GLU 293 CO -0.08 0.68 -0.29 0.87 -1.00 0.00 0.00 179.01 179.20 1fyh h LYS 294 N 0.05 -0.61 -0.92 2.33 1.57 -0.79 -1.56 116.57 116.63 1fyh h LYS 294 Ca -0.01 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1fyh h LYS 294 Cb 1.13 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.51 1fyh h LYS 294 CO 0.09 -0.41 0.59 -0.07 -0.57 0.00 0.00 179.45 179.08 1fyh h LEU 295 N -0.64 0.83 -0.14 2.94 3.38 -1.34 -1.51 115.31 118.83 1fyh h LEU 295 Ca -0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1fyh h LEU 295 Cb 0.57 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1fyh h LEU 295 CO -0.04 0.47 0.00 0.71 0.09 0.00 0.00 178.44 179.67 1fyh h THR 296 N 0.90 0.00 -0.63 0.22 1.35 -1.19 -3.33 112.91 110.23 1fyh h THR 296 Ca 0.44 -0.86 -0.40 0.00 -0.55 0.00 0.00 66.41 65.04 1fyh h THR 296 Cb 0.45 1.85 -0.24 0.00 -1.73 0.00 0.00 68.15 68.48 1fyh h THR 296 CO -0.20 0.00 -0.03 0.59 -0.25 0.00 0.00 175.52 175.63 1fyh n ASN 297 N -2.95 4.22 -4.89 5.36 3.02 -0.57 -4.97 115.26 114.48 1fyh n ASN 297 Ca 0.04 -3.77 -0.35 0.00 -0.03 0.00 0.00 54.58 50.47 1fyh n ASN 297 Cb 0.49 -0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 38.96 1fyh n ASN 297 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1fyh s TYR 298 N -3.46 3.56 -0.25 3.10 2.02 -1.24 -5.04 117.35 116.05 1fyh s TYR 298 Ca 0.51 0.42 -0.10 0.00 -0.37 0.00 0.00 57.07 57.53 1fyh s TYR 298 Cb 0.43 -1.87 -0.05 0.00 -0.40 0.00 0.00 41.96 40.07 1fyh s TYR 298 CO 0.01 0.68 0.15 -1.54 -1.57 0.00 0.00 175.55 173.29 1fyh s SER 299 N -1.55 6.00 0.00 2.29 1.04 -1.26 -4.93 113.70 115.28 1fyh s SER 299 Ca 0.22 0.06 0.20 0.00 0.48 0.00 0.00 55.95 56.91 1fyh s SER 299 Cb -0.12 -2.09 1.22 0.00 0.10 0.00 0.00 66.02 65.13 1fyh s SER 299 CO 0.12 0.04 1.72 0.52 0.98 0.00 0.00 173.24 176.63 1fyh n VAL 300 N 4.46 0.00 0.06 5.02 0.31 -1.26 -3.38 118.33 123.53 1fyh n VAL 300 Ca -0.15 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.96 1fyh n VAL 300 Cb 0.52 -0.41 -0.15 0.00 -0.91 0.00 0.00 33.84 32.90 1fyh n VAL 300 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1fyh h THR 301 N 0.00 1.29 -2.66 2.52 2.02 -1.99 -3.43 112.91 110.67 1fyh h THR 301 Ca 0.00 -2.53 -0.54 0.00 0.77 0.00 0.00 66.41 64.11 1fyh h THR 301 Cb 0.00 3.01 0.06 0.00 -1.74 0.00 0.00 68.15 69.48 1fyh h THR 301 CO 0.00 0.74 0.94 -0.67 0.37 0.00 0.00 175.52 176.90 1fyh n ASP 302 N -3.95 3.75 -0.20 4.18 -0.08 -1.22 -4.89 116.55 114.14 1fyh n ASP 302 Ca -0.18 1.08 0.01 0.00 -1.51 0.00 0.00 54.79 54.19 1fyh n ASP 302 Cb 0.92 -1.54 0.27 0.00 2.34 0.00 0.00 41.12 43.10 1fyh n ASP 302 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1fyh h LEU 303 N 6.23 0.82 -0.73 -2.67 3.38 -1.92 -2.36 115.31 118.06 1fyh h LEU 303 Ca -0.44 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.38 1fyh h LEU 303 Cb 1.22 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1fyh h LEU 303 CO 0.91 0.59 -0.41 0.78 0.09 0.00 0.00 178.44 180.41 1fyh h ASN 304 N 0.97 0.52 -0.38 -0.43 -0.26 -1.97 -1.41 115.58 112.61 1fyh h ASN 304 Ca 0.27 -0.23 -0.09 0.00 -0.56 0.00 0.00 56.30 55.69 1fyh h ASN 304 Cb -0.10 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1fyh h ASN 304 CO -0.06 0.87 -0.12 0.58 -1.06 0.00 0.00 177.43 177.64 1fyh h VAL 305 N 0.40 1.28 -0.60 2.81 2.07 -1.77 -2.11 116.25 118.32 1fyh h VAL 305 Ca 0.03 -1.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 1fyh h VAL 305 Cb 0.89 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1fyh h VAL 305 CO 0.08 0.40 0.10 -0.61 0.02 0.00 0.00 177.57 177.56 1fyh h GLN 306 N 0.56 0.97 -0.30 1.57 4.15 -1.33 -0.42 115.11 120.31 1fyh h GLN 306 Ca 0.09 -0.24 -0.06 0.00 0.77 0.00 0.00 58.65 59.21 1fyh h GLN 306 Cb 0.64 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1fyh h GLN 306 CO 0.04 0.90 -0.04 -0.09 -1.93 0.00 0.00 178.83 177.71 1fyh h ARG 307 N 0.92 0.57 -0.68 1.69 2.43 -1.16 -1.75 114.38 116.39 1fyh h ARG 307 Ca 0.19 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1fyh h ARG 307 Cb 0.40 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1fyh h ARG 307 CO 0.01 0.74 0.37 0.87 -1.51 0.00 0.00 179.97 180.45 1fyh h LYS 308 N 0.34 0.95 -0.72 0.20 1.57 -1.14 -0.13 116.57 117.65 1fyh h LYS 308 Ca 0.08 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1fyh h LYS 308 Cb 0.51 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 1fyh h LYS 308 CO 0.02 0.71 0.46 0.00 -0.57 0.00 0.00 179.45 180.08 1fyh h ALA 309 N 1.18 0.93 -0.40 3.86 0.00 -0.92 -0.58 119.26 123.33 1fyh h ALA 309 Ca 0.24 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1fyh h ALA 309 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1fyh h ALA 309 CO -0.04 0.27 -0.28 0.82 0.00 0.00 0.00 179.25 180.02 1fyh h ILE 310 N 0.92 1.27 -0.90 0.00 1.08 -1.03 -2.65 117.51 116.20 1fyh h ILE 310 Ca 0.28 -1.44 -0.01 0.00 -0.39 0.00 0.00 64.86 63.30 1fyh h ILE 310 Cb -0.03 1.26 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 1fyh h ILE 310 CO -0.09 0.48 0.54 -0.74 -0.69 0.00 0.00 178.15 177.65 1fyh h HIS 311 N 0.74 1.19 0.00 1.37 2.76 -0.16 -3.00 115.15 118.06 1fyh h HIS 311 Ca 0.09 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1fyh h HIS 311 Cb 0.84 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1fyh h HIS 311 CO 0.05 0.80 0.00 0.39 -1.30 0.00 0.00 177.93 177.87 1fyh n GLU 312 N -4.38 0.04 -0.18 5.26 1.02 -0.31 -4.44 120.64 117.65 1fyh n GLU 312 Ca 0.10 0.01 -0.03 0.00 -0.02 0.00 0.00 57.16 57.22 1fyh n GLU 312 Cb 0.06 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.02 1fyh n GLU 312 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1fyh h LEU 313 N 0.00 -0.71 -0.67 -4.62 5.85 -1.32 -1.70 115.31 112.15 1fyh h LEU 313 Ca 0.00 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1fyh h LEU 313 Cb 0.47 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1fyh h LEU 313 CO 0.00 -0.23 0.42 0.40 -0.34 0.00 0.00 178.44 178.69 1fyh h ILE 314 N -0.07 1.09 -0.14 4.05 2.04 -1.82 -0.13 117.51 122.54 1fyh h ILE 314 Ca 0.26 -0.28 -0.15 0.00 1.00 0.00 0.00 64.86 65.69 1fyh h ILE 314 Cb 0.47 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1fyh h ILE 314 CO -0.60 0.15 -0.55 1.56 0.00 0.00 0.00 178.15 178.71 1fyh h GLN 315 N 0.82 0.40 -0.26 2.37 4.20 -1.79 -2.53 115.11 118.33 1fyh h GLN 315 Ca 0.27 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1fyh h GLN 315 Cb 0.01 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1fyh h GLN 315 CO -0.10 0.85 0.02 0.28 -0.67 0.00 0.00 178.83 179.21 1fyh h VAL 316 N 0.31 1.24 -0.27 -0.54 2.07 -0.93 -2.88 116.25 115.26 1fyh h VAL 316 Ca 0.00 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1fyh h VAL 316 Cb 1.06 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1fyh h VAL 316 CO 0.10 0.27 0.14 0.24 0.02 0.00 0.00 177.57 178.33 1fyh h MET 317 N 0.25 0.36 0.00 1.57 2.86 -0.95 -1.95 114.93 117.06 1fyh h MET 317 Ca 0.08 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1fyh h MET 317 Cb 0.37 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1fyh h MET 317 CO 0.01 0.27 0.00 0.00 1.06 0.00 0.00 176.91 178.25 1fyh n ALA 318 N -2.49 1.68 -0.48 6.32 0.00 -0.96 -2.98 120.51 121.59 1fyh n ALA 318 Ca 0.01 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.51 1fyh n ALA 318 Cb 0.10 -1.32 0.06 0.00 0.00 0.00 0.00 19.45 18.30 1fyh n ALA 318 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1fyh n GLU 319 N -1.86 2.22 0.12 0.00 1.02 -0.74 -4.72 120.64 116.67 1fyh n GLU 319 Ca 0.03 -1.96 0.02 0.00 -0.02 0.00 0.00 57.16 55.23 1fyh n GLU 319 Cb 0.21 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1fyh n GLU 319 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1fyh h LEU 320 N 0.00 0.00-10.33 -4.62 5.85 -1.43 -3.47 115.31 101.31 1fyh h LEU 320 Ca 0.00 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.21 1fyh h LEU 320 Cb 0.73 0.00 0.12 0.00 0.37 0.00 0.00 40.66 41.88 1fyh h LEU 320 CO 0.00 0.53 0.32 -0.44 -0.34 0.00 0.00 178.44 178.51 1fyh s SER 321 N -6.35 4.56 0.40 1.25 0.01 -1.26 -4.49 113.70 107.82 1fyh s SER 321 Ca 0.03 1.69 -0.26 0.00 1.31 0.00 0.00 55.95 58.71 1fyh s SER 321 Cb 0.08 -2.43 -0.10 0.00 0.21 0.00 0.00 66.02 63.78 1fyh s SER 321 CO 0.76 -1.98 1.37 -2.65 0.41 0.00 0.00 173.24 171.15 1fyh n PRO 322 N -3.48 2.24 -1.71 12.44 -0.02 -1.26 -4.98 135.00 138.23 1fyh n PRO 322 Ca 0.08 0.79 -0.31 0.00 -2.02 0.00 0.00 63.50 62.04 1fyh n PRO 322 Cb 0.54 -2.51 0.04 0.00 -0.02 0.00 0.00 33.50 31.54 1fyh n PRO 322 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fyh s ALA 323 N -1.16 2.76 0.00 3.55 0.00 -1.26 -5.18 121.76 120.46 1fyh s ALA 323 Ca 0.58 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1fyh s ALA 323 Cb -0.49 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1fyh s ALA 323 CO 0.60 -1.06 0.00 0.00 0.00 0.00 0.00 175.76 175.31