#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fy1 s GLN 23 N 0.00 3.91 -0.30 -0.72 -1.52 -0.31 -4.96 119.66 115.77 3fy1 s GLN 23 Ca 0.00 0.41 0.01 0.00 -1.95 0.00 0.00 55.36 53.83 3fy1 s GLN 23 Cb 0.00 -2.85 0.09 0.00 -0.22 0.00 0.00 33.01 30.03 3fy1 s GLN 23 CO 0.00 0.43 0.04 -1.17 -0.25 0.00 0.00 175.29 174.34 3fy1 s LEU 24 N -2.22 3.10 -0.21 2.90 2.96 -1.25 -1.06 118.68 122.89 3fy1 s LEU 24 Ca 0.40 -1.66 -0.06 0.00 -0.22 0.00 0.00 54.13 52.60 3fy1 s LEU 24 Cb -0.14 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.34 3fy1 s LEU 24 CO 0.20 -0.35 0.01 -0.89 -1.32 0.00 0.00 176.35 174.00 3fy1 s THR 25 N 1.34 4.02 -0.10 3.68 2.01 0.33 -0.26 115.64 126.65 3fy1 s THR 25 Ca 0.06 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 61.81 3fy1 s THR 25 Cb -0.18 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.50 3fy1 s THR 25 CO -0.14 0.41 -0.22 0.00 -0.69 0.00 0.00 174.62 173.98 3fy1 s TYR 27 N 0.50 3.61 -0.09 0.00 2.02 -0.43 -0.92 117.35 122.04 3fy1 s TYR 27 Ca -0.16 1.13 -0.01 0.00 -0.37 0.00 0.00 57.07 57.66 3fy1 s TYR 27 Cb -0.17 -2.65 -0.03 0.00 -0.40 0.00 0.00 41.96 38.71 3fy1 s TYR 27 CO 0.06 0.23 -0.02 0.12 -1.57 0.00 0.00 175.55 174.36 3fy1 s PHE 28 N 0.31 3.08 -0.10 2.71 5.36 0.43 -0.63 117.98 129.16 3fy1 s PHE 28 Ca 0.32 0.11 0.01 0.00 -0.96 0.00 0.00 56.93 56.41 3fy1 s PHE 28 Cb -0.17 -1.78 -0.02 0.00 -0.34 0.00 0.00 43.02 40.71 3fy1 s PHE 28 CO 0.16 0.39 -0.14 0.95 -1.46 0.00 0.00 175.22 175.12 3fy1 s THR 29 N -0.76 3.03 -2.00 0.12 -4.23 -1.26 -0.35 115.64 110.19 3fy1 s THR 29 Ca 0.12 -0.70 0.11 0.00 -1.18 0.00 0.00 61.69 60.04 3fy1 s THR 29 Cb -0.11 -2.24 0.32 0.00 1.34 0.00 0.00 72.50 71.81 3fy1 s THR 29 CO 0.02 0.55 1.36 -0.46 -0.54 0.00 0.00 174.62 175.55 3fy1 n ASN 30 N 3.03 0.00 -0.14 3.99 6.94 0.38 -2.74 115.26 126.71 3fy1 n ASN 30 Ca -0.18 -1.46 0.07 0.00 -0.02 0.00 0.00 54.58 53.00 3fy1 n ASN 30 Cb 0.52 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.90 3fy1 n ASN 30 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56 3fy1 n TRP 31 N -0.69 0.00 0.30 -2.53 2.14 -1.26 -4.45 117.44 110.94 3fy1 n TRP 31 Ca 0.08 0.00 0.17 0.00 2.07 0.00 0.00 57.50 59.83 3fy1 n TRP 31 Cb 0.04 0.00 0.96 0.00 -0.81 0.00 0.00 31.31 31.50 3fy1 n TRP 31 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3fy1 h ALA 32 N 2.26 1.25 0.00 -1.67 0.00 -1.77 -2.39 119.26 116.93 3fy1 h ALA 32 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fy1 h ALA 32 Cb 0.41 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3fy1 h ALA 32 CO 0.00 0.04 -0.00 -0.56 0.00 0.00 0.00 179.25 178.72 3fy1 h GLN 33 N 0.00 0.00 -0.02 0.00 3.07 -1.76 -2.67 115.11 113.74 3fy1 h GLN 33 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3fy1 h GLN 33 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.68 3fy1 h GLN 33 CO 0.00 0.00 -0.10 0.66 0.09 0.00 0.00 178.83 179.49 3fy1 n TYR 34 N -3.13 0.00 -2.51 0.06 4.01 -0.90 -4.72 117.16 109.97 3fy1 n TYR 34 Ca -0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.34 3fy1 n TYR 34 Cb 0.12 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.09 3fy1 n TYR 34 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3fy1 s ARG 35 N -2.14 4.28 0.50 -0.72 0.52 -1.07 -5.00 118.95 115.32 3fy1 s ARG 35 Ca 0.31 1.61 -0.20 0.00 -0.52 0.00 0.00 55.73 56.92 3fy1 s ARG 35 Cb 0.20 -2.72 -0.08 0.00 0.52 0.00 0.00 34.95 32.87 3fy1 s ARG 35 CO 0.39 -0.06 1.08 -1.25 0.02 0.00 0.00 175.30 175.47 3fy1 s PRO 36 N -2.20 3.66 4.86 3.54 0.04 -1.26 -3.09 135.00 140.55 3fy1 s PRO 36 Ca 0.54 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.06 3fy1 s PRO 36 Cb -0.25 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3fy1 s PRO 36 CO 0.32 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.20 3fy1 n GLY 37 N -0.04 3.27 0.07 0.56 0.00 -1.26 -1.41 105.19 106.37 3fy1 n GLY 37 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 3fy1 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fy1 n LEU 38 N 0.00 0.28 0.15 0.99 4.77 -1.26 -2.24 117.00 119.70 3fy1 n LEU 38 Ca 0.00 0.60 0.03 0.00 -0.03 0.00 0.00 56.01 56.61 3fy1 n LEU 38 Cb 0.00 -0.59 0.07 0.00 -2.33 0.00 0.00 43.42 40.57 3fy1 n LEU 38 CO 0.00 -0.54 0.51 1.23 -1.33 0.00 0.00 177.39 177.26 3fy1 h GLY 39 N 1.27 0.00 -5.32 -0.72 0.00 -1.50 -3.46 103.07 93.34 3fy1 h GLY 39 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3fy1 h GLY 39 CO 0.00 0.00 0.94 -2.13 0.00 0.00 0.00 176.54 175.35 3fy1 n ARG 40 N -3.24 2.17 -3.86 4.80 0.63 -0.95 -4.73 116.66 111.47 3fy1 n ARG 40 Ca 0.02 0.79 -0.23 0.00 -0.92 0.00 0.00 57.85 57.51 3fy1 n ARG 40 Cb 0.70 -2.60 -0.17 0.00 0.45 0.00 0.00 32.46 30.84 3fy1 n ARG 40 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 3fy1 s PHE 41 N 2.35 0.77 0.33 -0.14 5.36 -1.03 -4.99 117.98 120.64 3fy1 s PHE 41 Ca 0.85 -0.24 0.09 0.00 -0.96 0.00 0.00 56.93 56.67 3fy1 s PHE 41 Cb -0.68 -0.82 -0.05 0.00 -0.34 0.00 0.00 43.02 41.13 3fy1 s PHE 41 CO 0.44 -0.32 0.01 -1.64 -1.46 0.00 0.00 175.22 172.25 3fy1 s MET 42 N 1.72 2.09 0.35 10.12 -1.94 -1.26 -3.06 119.30 127.32 3fy1 s MET 42 Ca 0.02 -1.73 0.10 0.00 -1.71 0.00 0.00 55.69 52.37 3fy1 s MET 42 Cb -0.13 -1.94 0.86 0.00 2.01 0.00 0.00 34.83 35.63 3fy1 s MET 42 CO -0.04 0.15 1.82 -1.35 -0.01 0.00 0.00 175.02 175.59 3fy1 h PRO 43 N 1.82 0.63 0.00 2.03 0.11 -1.94 -0.60 132.00 134.05 3fy1 h PRO 43 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fy1 h PRO 43 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3fy1 h PRO 43 CO 0.66 0.41 0.00 -0.25 -0.21 0.00 0.00 178.00 178.62 3fy1 n ASP 44 N -4.63 0.00 -0.04 -2.05 8.00 -1.26 -1.78 116.55 114.79 3fy1 n ASP 44 Ca 0.21 -0.03 0.13 0.00 0.71 0.00 0.00 54.79 55.81 3fy1 n ASP 44 Cb 0.59 -0.26 0.51 0.00 -0.02 0.00 0.00 41.12 41.93 3fy1 n ASP 44 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3fy1 n ASP 45 N -1.26 0.30 -4.69 -2.24 8.00 -0.23 -4.83 116.55 111.60 3fy1 n ASP 45 Ca 0.10 -0.09 -0.42 0.00 0.71 0.00 0.00 54.79 55.09 3fy1 n ASP 45 Cb 0.15 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 3fy1 n ASP 45 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fy1 s ILE 46 N -2.82 4.65 -0.29 0.53 1.01 -0.73 -5.00 121.20 118.54 3fy1 s ILE 46 Ca 0.18 1.92 -0.29 0.00 0.00 0.00 0.00 60.65 62.46 3fy1 s ILE 46 Cb 0.19 -4.23 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 3fy1 s ILE 46 CO 0.56 0.04 1.57 0.21 0.00 0.00 0.00 174.94 177.33 3fy1 s ASN 47 N 1.15 6.30 0.09 3.58 3.84 -1.26 -4.89 114.94 123.75 3fy1 s ASN 47 Ca 0.51 1.33 0.12 0.00 0.21 0.00 0.00 52.86 55.03 3fy1 s ASN 47 Cb -0.21 -2.53 0.54 0.00 -0.55 0.00 0.00 41.25 38.50 3fy1 s ASN 47 CO 0.21 -1.37 1.37 -0.81 -2.79 0.00 0.00 177.10 173.71 3fy1 n PRO 48 N 7.88 0.05 0.00 0.43 -0.04 -1.26 -2.16 135.00 139.90 3fy1 n PRO 48 Ca 0.19 0.42 0.11 0.00 -0.04 0.00 0.00 63.50 64.18 3fy1 n PRO 48 Cb 0.46 -1.62 0.08 0.00 -0.04 0.00 0.00 33.50 32.38 3fy1 n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fy1 h LEU 50 N 4.03 0.30 -9.42 0.00 5.85 -1.85 -3.47 115.31 110.74 3fy1 h LEU 50 Ca 0.00 -0.94 -0.58 0.00 0.84 0.00 0.00 57.88 57.20 3fy1 h LEU 50 Cb 0.88 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.70 3fy1 h LEU 50 CO 0.00 1.29 -0.69 0.00 -0.34 0.00 0.00 178.44 178.71 3fy1 h THR 52 N 2.08 1.27 -4.06 0.00 1.35 -0.99 -3.47 112.91 109.10 3fy1 h THR 52 Ca -0.43 -2.95 -0.41 0.00 -0.55 0.00 0.00 66.41 62.08 3fy1 h THR 52 Cb 1.25 2.75 -0.28 0.00 -1.73 0.00 0.00 68.15 70.14 3fy1 h THR 52 CO 0.60 0.82 -0.78 -1.00 -0.25 0.00 0.00 175.52 174.90 3fy1 s HIS 53 N -2.64 0.90 -0.06 4.73 3.76 -1.00 -2.59 115.29 118.39 3fy1 s HIS 53 Ca -0.06 -0.19 0.06 0.00 -0.15 0.00 0.00 55.06 54.72 3fy1 s HIS 53 Cb 0.08 -0.57 -0.01 0.00 1.11 0.00 0.00 32.58 33.18 3fy1 s HIS 53 CO 0.85 -0.01 -0.25 -0.51 -0.85 0.00 0.00 174.74 173.96 3fy1 s LEU 54 N -0.34 2.07 -0.09 0.89 1.43 -0.47 -0.88 118.68 121.29 3fy1 s LEU 54 Ca 0.03 -0.52 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3fy1 s LEU 54 Cb -0.04 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.81 3fy1 s LEU 54 CO -0.00 0.23 -0.21 -0.63 0.23 0.00 0.00 176.35 175.96 3fy1 s ILE 55 N -0.08 1.86 -0.30 -0.59 1.01 -0.10 -0.80 121.20 122.19 3fy1 s ILE 55 Ca -0.06 -0.90 -0.19 0.00 0.00 0.00 0.00 60.65 59.50 3fy1 s ILE 55 Cb -0.14 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 3fy1 s ILE 55 CO 0.04 0.52 0.55 -0.47 0.00 0.00 0.00 174.94 175.58 3fy1 s TYR 56 N 0.43 3.22 -0.20 3.97 5.04 0.25 -0.43 117.35 129.63 3fy1 s TYR 56 Ca -0.17 0.47 -0.04 0.00 -2.44 0.00 0.00 57.07 54.89 3fy1 s TYR 56 Cb -0.17 -2.88 -0.02 0.00 0.35 0.00 0.00 41.96 39.24 3fy1 s TYR 56 CO 0.07 -0.43 -0.03 0.00 -1.34 0.00 0.00 175.55 173.82 3fy1 s ALA 57 N 2.44 2.90 0.05 3.97 0.00 0.53 -0.49 121.76 131.16 3fy1 s ALA 57 Ca 0.22 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 3fy1 s ALA 57 Cb -0.15 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 3fy1 s ALA 57 CO 0.11 -0.22 -0.04 -0.06 0.00 0.00 0.00 175.76 175.55 3fy1 s PHE 58 N 1.13 0.51 0.43 0.00 0.40 -1.26 -0.47 117.98 118.72 3fy1 s PHE 58 Ca 0.02 -0.90 -0.03 0.00 -0.60 0.00 0.00 56.93 55.41 3fy1 s PHE 58 Cb -0.15 -0.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.99 3fy1 s PHE 58 CO 0.00 -0.30 0.70 0.00 0.70 0.00 0.00 175.22 176.32 3fy1 s ALA 59 N -3.21 3.51 0.00 5.36 0.00 0.95 -4.45 121.76 123.92 3fy1 s ALA 59 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3fy1 s ALA 59 Cb 0.03 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.73 3fy1 s ALA 59 CO -0.07 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3fy1 n GLY 60 N -2.02 6.79 3.16 0.00 0.00 0.10 -2.27 105.19 110.96 3fy1 n GLY 60 Ca -0.01 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 3fy1 n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fy1 s MET 61 N 1.37 0.32 -0.08 1.61 1.75 -1.26 -1.69 119.30 121.33 3fy1 s MET 61 Ca 0.00 0.40 -0.04 0.00 -1.25 0.00 0.00 55.69 54.80 3fy1 s MET 61 Cb 0.00 0.15 0.04 0.00 2.84 0.00 0.00 34.83 37.86 3fy1 s MET 61 CO 0.00 -0.05 0.18 -1.14 -0.65 0.00 0.00 175.02 173.37 3fy1 s GLN 62 N 0.21 0.12 -1.49 4.11 2.00 0.01 -4.89 119.66 119.74 3fy1 s GLN 62 Ca -0.01 0.46 -0.06 0.00 -2.00 0.00 0.00 55.36 53.75 3fy1 s GLN 62 Cb -0.02 -0.17 0.05 0.00 0.80 0.00 0.00 33.01 33.67 3fy1 s GLN 62 CO -0.00 -0.19 0.61 0.09 -0.50 0.00 0.00 175.29 175.30 3fy1 n ASN 63 N 4.39 -1.69 -1.14 6.67 3.02 -1.26 -1.41 115.26 123.84 3fy1 n ASN 63 Ca -0.23 -0.96 -0.15 0.00 -0.03 0.00 0.00 54.58 53.21 3fy1 n ASN 63 Cb 0.52 -3.18 -0.06 0.00 -0.61 0.00 0.00 39.78 36.44 3fy1 n ASN 63 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3fy1 n ASN 64 N -2.89 -5.00 -4.29 6.41 3.02 -1.26 -4.96 115.26 106.28 3fy1 n ASN 64 Ca -0.17 0.37 -0.27 0.00 -0.03 0.00 0.00 54.58 54.48 3fy1 n ASN 64 Cb 0.62 -3.82 -0.14 0.00 -0.61 0.00 0.00 39.78 35.83 3fy1 n ASN 64 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fy1 s GLU 65 N -3.22 1.51 0.36 3.52 2.02 -0.50 -2.57 118.70 119.81 3fy1 s GLU 65 Ca 0.00 -1.02 -0.28 0.00 0.02 0.00 0.00 54.97 53.69 3fy1 s GLU 65 Cb 0.00 -1.67 -0.10 0.00 0.10 0.00 0.00 34.13 32.47 3fy1 s GLU 65 CO 0.00 0.42 1.28 -1.50 0.02 0.00 0.00 175.26 175.48 3fy1 s ILE 66 N -0.83 2.79 0.14 -1.63 2.07 -1.26 -0.81 121.20 121.67 3fy1 s ILE 66 Ca 0.09 0.75 -0.05 0.00 -1.41 0.00 0.00 60.65 60.03 3fy1 s ILE 66 Cb -0.09 -3.46 -0.02 0.00 0.13 0.00 0.00 42.46 39.01 3fy1 s ILE 66 CO 0.02 0.15 0.17 0.42 -1.91 0.00 0.00 174.94 173.79 3fy1 s THR 67 N -1.21 0.09 0.88 4.00 -4.23 -0.68 -4.84 115.64 109.64 3fy1 s THR 67 Ca 0.52 -1.65 -0.12 0.00 -1.18 0.00 0.00 61.69 59.26 3fy1 s THR 67 Cb -0.38 -1.93 0.12 0.00 1.34 0.00 0.00 72.50 71.65 3fy1 s THR 67 CO 0.49 -0.40 1.10 0.42 -0.54 0.00 0.00 174.62 175.70 3fy1 s THR 68 N -4.00 2.64 0.00 3.99 -4.23 -1.26 0.00 115.64 112.78 3fy1 s THR 68 Ca 0.20 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 3fy1 s THR 68 Cb 0.05 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.07 3fy1 s THR 68 CO 0.01 -0.27 0.00 2.30 -0.54 0.00 0.00 174.62 176.11 3fy1 n ILE 69 N -3.74 0.00 -3.94 2.99 -5.35 -1.26 -4.42 119.36 103.64 3fy1 n ILE 69 Ca 0.07 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.22 3fy1 n ILE 69 Cb 0.56 -0.45 -0.05 0.00 -1.74 0.00 0.00 39.64 37.97 3fy1 n ILE 69 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3fy1 s GLU 70 N -1.52 3.35 0.46 6.28 0.41 -1.26 -5.01 118.70 121.42 3fy1 s GLU 70 Ca 0.00 -0.41 0.17 0.00 -0.41 0.00 0.00 54.97 54.32 3fy1 s GLU 70 Cb 0.00 -3.02 1.12 0.00 -1.78 0.00 0.00 34.13 30.45 3fy1 s GLU 70 CO 0.00 0.64 1.98 0.11 -0.49 0.00 0.00 175.26 177.50 3fy1 h TRP 71 N 3.57 0.34 -0.39 1.61 5.08 -1.98 -2.07 115.95 122.11 3fy1 h TRP 71 Ca -0.47 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.50 3fy1 h TRP 71 Cb 1.18 -0.11 -0.00 0.00 -3.00 0.00 0.00 29.16 27.22 3fy1 h TRP 71 CO 0.64 0.15 0.01 0.27 -1.28 0.00 0.00 178.44 178.23 3fy1 n ASN 72 N -4.45 4.58 -0.37 0.11 6.94 -1.26 -4.70 115.26 116.11 3fy1 n ASN 72 Ca 0.10 -3.01 0.05 0.00 -0.02 0.00 0.00 54.58 51.71 3fy1 n ASN 72 Cb 0.45 -0.60 0.21 0.00 -2.36 0.00 0.00 39.78 37.48 3fy1 n ASN 72 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3fy1 h ASP 73 N 2.62 0.98 -0.40 0.53 3.32 -1.78 -1.11 116.42 120.57 3fy1 h ASP 73 Ca 0.01 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3fy1 h ASP 73 Cb 1.67 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 41.03 3fy1 h ASP 73 CO 0.34 0.56 0.23 0.58 -1.72 0.00 0.00 179.24 179.24 3fy1 h VAL 74 N 1.07 1.13 -0.52 -1.35 2.07 -1.84 0.51 116.25 117.32 3fy1 h VAL 74 Ca 0.47 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.69 3fy1 h VAL 74 Cb 0.36 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3fy1 h VAL 74 CO -0.23 0.14 0.33 0.74 0.02 0.00 0.00 177.57 178.57 3fy1 h THR 75 N 0.52 1.10 -0.51 2.57 2.02 -1.79 -2.10 112.91 114.72 3fy1 h THR 75 Ca 0.14 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 3fy1 h THR 75 Cb 0.01 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3fy1 h THR 75 CO -0.03 0.12 -0.04 -0.07 0.37 0.00 0.00 175.52 175.88 3fy1 h LEU 76 N 0.67 0.87 -0.62 2.58 3.38 -0.64 -2.26 115.31 119.28 3fy1 h LEU 76 Ca 0.20 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3fy1 h LEU 76 Cb -0.03 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 3fy1 h LEU 76 CO -0.07 0.96 0.36 1.88 0.09 0.00 0.00 178.44 181.66 3fy1 h TYR 77 N 0.82 0.67 -0.51 1.13 0.05 0.22 0.95 116.97 120.30 3fy1 h TYR 77 Ca 0.15 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.95 3fy1 h TYR 77 Cb 0.54 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 3fy1 h TYR 77 CO 0.03 0.36 0.31 0.37 -1.05 0.00 0.00 178.16 178.17 3fy1 h GLN 78 N 0.70 0.69 -0.44 4.88 4.15 -1.00 0.16 115.11 124.24 3fy1 h GLN 78 Ca 0.26 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.48 3fy1 h GLN 78 Cb 0.10 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 3fy1 h GLN 78 CO -0.14 0.50 -0.30 0.00 -1.93 0.00 0.00 178.83 176.96 3fy1 h ALA 79 N 1.15 0.63 0.58 3.38 0.00 -1.14 -1.28 119.26 122.58 3fy1 h ALA 79 Ca 0.18 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3fy1 h ALA 79 Cb -0.01 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.64 3fy1 h ALA 79 CO -0.03 0.68 -0.28 0.35 0.00 0.00 0.00 179.25 179.96 3fy1 h PHE 80 N 0.82 -0.73 0.00 0.00 3.04 -0.51 -2.89 116.94 116.67 3fy1 h PHE 80 Ca 0.09 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 3fy1 h PHE 80 Cb 0.89 0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.64 3fy1 h PHE 80 CO 0.06 -0.39 -0.21 -0.91 -2.02 0.00 0.00 178.31 174.83 3fy1 h ASN 81 N -0.98 0.00 0.27 0.41 2.35 -0.79 -2.38 115.58 114.46 3fy1 h ASN 81 Ca -0.08 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3fy1 h ASN 81 Cb 0.66 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 3fy1 h ASN 81 CO 0.13 0.21 -0.00 1.23 -1.65 0.00 0.00 177.43 177.35 3fy1 h GLY 82 N 1.60 0.00 1.67 2.83 0.00 -1.08 -2.03 103.07 106.06 3fy1 h GLY 82 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3fy1 h GLY 82 CO 0.03 0.00 0.12 1.41 0.00 0.00 0.00 176.54 178.10 3fy1 h LEU 83 N 0.00 0.00 -2.22 3.11 3.38 -1.22 -1.03 115.31 117.33 3fy1 h LEU 83 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3fy1 h LEU 83 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3fy1 h LEU 83 CO 0.00 0.00 -0.02 0.11 0.09 0.00 0.00 178.44 178.62 3fy1 h LYS 84 N 0.00 0.00 0.00 1.13 1.57 -1.56 -1.04 116.57 116.67 3fy1 h LYS 84 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3fy1 h LYS 84 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3fy1 h LYS 84 CO -0.00 0.02 0.00 0.09 -0.57 0.00 0.00 179.45 178.99 3fy1 n ASN 85 N -3.21 0.00 -0.00 0.86 3.02 -0.39 -2.77 115.26 112.78 3fy1 n ASN 85 Ca -0.01 0.24 0.03 0.00 -0.03 0.00 0.00 54.58 54.80 3fy1 n ASN 85 Cb 0.19 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 3fy1 n ASN 85 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3fy1 n LYS 86 N -1.37 4.98 -3.41 3.52 5.02 -0.40 -4.15 118.16 122.34 3fy1 n LYS 86 Ca 0.06 -0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.19 3fy1 n LYS 86 Cb 0.14 -0.78 -0.10 0.00 -0.02 0.00 0.00 35.03 34.27 3fy1 n LYS 86 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3fy1 s ASN 87 N -1.57 1.32 0.55 4.39 3.84 -1.11 -3.38 114.94 118.98 3fy1 s ASN 87 Ca 0.02 -0.44 0.37 0.00 0.21 0.00 0.00 52.86 53.02 3fy1 s ASN 87 Cb 0.04 0.59 1.88 0.00 -0.55 0.00 0.00 41.25 43.21 3fy1 s ASN 87 CO 0.24 -0.36 2.11 0.77 -2.79 0.00 0.00 177.10 177.08 3fy1 h SER 88 N 8.26 0.00 0.11 -4.21 4.64 -0.71 -2.29 113.55 119.36 3fy1 h SER 88 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3fy1 h SER 88 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3fy1 h SER 88 CO 0.31 0.00 -1.42 0.00 -0.87 0.00 0.00 176.83 174.85 3fy1 n GLN 89 N -2.87 0.35 -1.90 4.77 1.13 -1.26 -4.93 117.38 112.66 3fy1 n GLN 89 Ca -0.02 -0.08 -0.41 0.00 -1.94 0.00 0.00 57.00 54.55 3fy1 n GLN 89 Cb 0.13 -1.53 -0.02 0.00 0.11 0.00 0.00 30.24 28.93 3fy1 n GLN 89 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3fy1 s LEU 90 N -3.87 4.36 0.09 1.08 2.96 -0.86 -4.98 118.68 117.46 3fy1 s LEU 90 Ca 0.00 2.86 0.09 0.00 -0.22 0.00 0.00 54.13 56.86 3fy1 s LEU 90 Cb 0.15 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 3fy1 s LEU 90 CO 0.87 -0.79 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.33 3fy1 s LYS 91 N -0.98 1.38 0.05 1.98 -0.14 -1.07 -4.91 119.74 116.05 3fy1 s LYS 91 Ca 0.58 -1.18 0.07 0.00 -1.36 0.00 0.00 55.97 54.08 3fy1 s LYS 91 Cb -0.45 -1.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.99 3fy1 s LYS 91 CO 0.51 0.41 -0.20 0.95 -0.76 0.00 0.00 175.35 176.25 3fy1 s THR 92 N -1.00 1.61 0.13 2.17 -4.23 -1.26 -1.37 115.64 111.69 3fy1 s THR 92 Ca 0.10 -1.22 0.05 0.00 -1.18 0.00 0.00 61.69 59.43 3fy1 s THR 92 Cb -0.10 -1.42 -0.04 0.00 1.34 0.00 0.00 72.50 72.28 3fy1 s THR 92 CO 0.04 0.15 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.40 3fy1 s LEU 93 N -1.27 2.48 -0.19 4.79 1.02 0.01 0.17 118.68 125.69 3fy1 s LEU 93 Ca 0.07 -0.93 -0.04 0.00 0.02 0.00 0.00 54.13 53.25 3fy1 s LEU 93 Cb -0.09 -0.37 -0.02 0.00 0.02 0.00 0.00 46.19 45.73 3fy1 s LEU 93 CO 0.02 -0.28 -0.03 -0.22 0.02 0.00 0.00 176.35 175.85 3fy1 s LEU 94 N -2.87 3.08 -0.07 1.79 2.96 -0.54 -0.59 118.68 122.45 3fy1 s LEU 94 Ca 0.13 -0.27 -0.21 0.00 -0.22 0.00 0.00 54.13 53.56 3fy1 s LEU 94 Cb -0.00 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3fy1 s LEU 94 CO 0.01 0.06 0.59 0.00 -1.32 0.00 0.00 176.35 175.69 3fy1 s ALA 95 N 0.99 3.43 -0.15 5.97 0.00 0.36 -0.71 121.76 131.66 3fy1 s ALA 95 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 3fy1 s ALA 95 Cb -0.15 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 3fy1 s ALA 95 CO 0.01 0.02 -0.02 -1.50 0.00 0.00 0.00 175.76 174.27 3fy1 s ILE 96 N 0.43 4.06 0.00 0.00 2.07 -0.40 -0.03 121.20 127.32 3fy1 s ILE 96 Ca 0.31 -0.30 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 3fy1 s ILE 96 Cb -0.17 -2.78 0.00 0.00 0.13 0.00 0.00 42.46 39.65 3fy1 s ILE 96 CO 0.15 0.50 0.00 0.61 -1.91 0.00 0.00 174.94 174.29 3fy1 n GLY 97 N 3.38 0.64 0.00 1.50 0.00 -0.96 -0.78 105.19 108.97 3fy1 n GLY 97 Ca -0.17 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3fy1 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fy1 n GLY 98 N 0.00 1.84 0.20 -0.02 0.00 -0.00 -4.42 105.19 102.78 3fy1 n GLY 98 Ca 0.00 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 43.95 3fy1 n GLY 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3fy1 h TRP 99 N 0.00 -0.37 0.00 1.61 2.91 -1.92 -2.39 115.95 115.80 3fy1 h TRP 99 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3fy1 h TRP 99 Cb 0.00 0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.85 3fy1 h TRP 99 CO 0.00 -0.22 0.00 -0.91 -1.03 0.00 0.00 178.44 176.28 3fy1 h ASN 100 N -0.12 0.00 0.62 2.65 2.35 -1.96 -2.66 115.58 116.46 3fy1 h ASN 100 Ca 0.14 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 3fy1 h ASN 100 Cb 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3fy1 h ASN 100 CO -0.33 0.00 -0.44 0.15 -1.65 0.00 0.00 177.43 175.16 3fy1 h PHE 101 N 0.00 0.00 -0.50 1.19 3.57 -1.64 -3.49 116.94 116.08 3fy1 h PHE 101 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3fy1 h PHE 101 Cb 0.40 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3fy1 h PHE 101 CO 0.00 0.44 0.00 0.41 -2.23 0.00 0.00 178.31 176.93 3fy1 n GLY 102 N 0.01 0.10 0.00 2.40 0.00 -1.01 -4.63 105.19 102.07 3fy1 n GLY 102 Ca -0.01 -0.97 0.01 0.00 0.00 0.00 0.00 46.02 45.05 3fy1 n GLY 102 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fy1 n THR 103 N 0.00 0.01 -0.15 2.61 -2.24 -1.26 -4.49 114.28 108.76 3fy1 n THR 103 Ca 0.00 -0.07 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 3fy1 n THR 103 Cb 0.00 0.39 0.03 0.00 -2.10 0.00 0.00 70.33 68.65 3fy1 n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fy1 h ALA 104 N 0.28 0.21 -0.26 6.98 0.00 -1.88 -0.09 119.26 124.50 3fy1 h ALA 104 Ca -0.00 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3fy1 h ALA 104 Cb 0.17 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3fy1 h ALA 104 CO 0.00 -0.51 -0.10 -1.35 0.00 0.00 0.00 179.25 177.29 3fy1 h PRO 105 N -0.07 0.42 -0.23 0.00 0.11 -1.88 -2.10 132.00 128.26 3fy1 h PRO 105 Ca 0.23 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 3fy1 h PRO 105 Cb 0.42 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 3fy1 h PRO 105 CO -0.52 0.53 0.03 0.74 -0.21 0.00 0.00 178.00 178.56 3fy1 h PHE 106 N 0.40 0.41 -0.31 0.65 0.04 -1.48 -1.58 116.94 115.06 3fy1 h PHE 106 Ca 0.08 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 60.83 3fy1 h PHE 106 Cb 0.42 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 3fy1 h PHE 106 CO 0.01 0.52 0.09 1.15 -0.60 0.00 0.00 178.31 179.48 3fy1 h THR 107 N 0.18 0.88 -0.69 -1.55 2.02 -0.93 -1.25 112.91 111.57 3fy1 h THR 107 Ca 0.07 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3fy1 h THR 107 Cb 0.34 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3fy1 h THR 107 CO 0.01 0.04 0.24 0.00 0.37 0.00 0.00 175.52 176.17 3fy1 h ALA 108 N 1.22 1.12 -0.48 6.16 0.00 -1.35 -2.22 119.26 123.71 3fy1 h ALA 108 Ca 0.14 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3fy1 h ALA 108 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3fy1 h ALA 108 CO -0.17 0.61 -0.19 1.98 0.00 0.00 0.00 179.25 181.49 3fy1 h MET 109 N 1.01 0.97 0.00 0.00 -1.53 -0.76 -3.04 114.93 111.58 3fy1 h MET 109 Ca 0.23 -0.41 0.00 0.00 -3.44 0.00 0.00 59.70 56.08 3fy1 h MET 109 Cb 0.25 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.26 3fy1 h MET 109 CO -0.01 1.08 -0.17 1.33 0.14 0.00 0.00 176.91 179.28 3fy1 n VAL 110 N -4.15 0.28 0.26 -5.77 0.24 -0.52 -2.50 118.33 106.16 3fy1 n VAL 110 Ca 0.00 -0.15 0.11 0.00 -2.04 0.00 0.00 64.34 62.26 3fy1 n VAL 110 Cb 0.44 -0.38 0.71 0.00 -1.47 0.00 0.00 33.84 33.14 3fy1 n VAL 110 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3fy1 h SER 111 N 0.00 0.00 -4.52 -1.34 4.64 -1.27 -3.42 113.55 107.63 3fy1 h SER 111 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 3fy1 h SER 111 Cb 0.63 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.49 3fy1 h SER 111 CO 0.00 0.10 -0.75 0.42 -0.87 0.00 0.00 176.83 175.73 3fy1 s THR 112 N -4.45 0.68 0.40 2.95 -4.23 -1.26 -5.04 115.64 104.69 3fy1 s THR 112 Ca -0.04 -0.96 0.07 0.00 -1.18 0.00 0.00 61.69 59.59 3fy1 s THR 112 Cb 0.14 -0.69 0.23 0.00 1.34 0.00 0.00 72.50 73.52 3fy1 s THR 112 CO 0.61 -0.22 2.01 -0.65 -0.54 0.00 0.00 174.62 175.83 3fy1 h PRO 113 N 4.78 0.46 -0.60 3.99 0.11 -1.89 -1.90 132.00 136.94 3fy1 h PRO 113 Ca -0.36 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 3fy1 h PRO 113 Cb 1.20 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3fy1 h PRO 113 CO 0.43 0.37 0.16 0.93 -0.21 0.00 0.00 178.00 179.68 3fy1 h GLU 114 N 0.46 0.94 -0.70 1.05 3.07 -1.96 -0.70 114.58 116.75 3fy1 h GLU 114 Ca 0.12 -0.22 -0.07 0.00 -0.50 0.00 0.00 59.36 58.68 3fy1 h GLU 114 Cb 0.08 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.83 3fy1 h GLU 114 CO -0.01 0.86 0.15 -0.91 -1.40 0.00 0.00 179.01 177.69 3fy1 h ASN 115 N 0.86 1.07 -0.54 1.42 4.21 -1.65 -1.34 115.58 119.60 3fy1 h ASN 115 Ca 0.19 -0.24 -0.04 0.00 1.21 0.00 0.00 56.30 57.42 3fy1 h ASN 115 Cb 0.33 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 3fy1 h ASN 115 CO -0.00 1.04 0.18 0.03 -1.29 0.00 0.00 177.43 177.39 3fy1 h ARG 116 N 1.06 0.82 -0.30 0.81 3.08 -1.05 -1.15 114.38 117.65 3fy1 h ARG 116 Ca 0.22 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3fy1 h ARG 116 Cb 0.40 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3fy1 h ARG 116 CO 0.01 0.74 0.18 0.37 -1.07 0.00 0.00 179.97 180.20 3fy1 h GLN 117 N 0.74 0.41 -0.55 0.04 5.75 -1.01 0.61 115.11 121.09 3fy1 h GLN 117 Ca 0.18 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.72 3fy1 h GLN 117 Cb 0.25 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.65 3fy1 h GLN 117 CO -0.01 0.31 0.20 1.15 -2.65 0.00 0.00 178.83 177.83 3fy1 h THR 118 N 0.39 0.81 0.07 2.39 2.02 -1.08 -0.84 112.91 116.66 3fy1 h THR 118 Ca 0.11 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3fy1 h THR 118 Cb 0.00 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3fy1 h THR 118 CO -0.02 0.07 -0.04 0.15 0.37 0.00 0.00 175.52 176.05 3fy1 h PHE 119 N 0.39 -0.09 -0.22 3.16 3.57 -0.86 -2.06 116.94 120.82 3fy1 h PHE 119 Ca 0.27 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.78 3fy1 h PHE 119 Cb 0.31 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 3fy1 h PHE 119 CO -0.16 0.10 0.11 0.82 -2.23 0.00 0.00 178.31 176.95 3fy1 h ILE 120 N -0.27 1.00 -0.55 1.41 2.04 -0.66 -0.23 117.51 120.25 3fy1 h ILE 120 Ca -0.01 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 65.86 3fy1 h ILE 120 Cb 0.23 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 3fy1 h ILE 120 CO 0.02 0.04 0.15 0.74 0.00 0.00 0.00 178.15 179.10 3fy1 h THR 121 N 0.24 0.73 -0.62 -0.27 2.02 -1.17 -1.31 112.91 112.53 3fy1 h THR 121 Ca 0.09 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 3fy1 h THR 121 Cb 0.02 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 3fy1 h THR 121 CO -0.06 0.06 0.17 0.77 0.37 0.00 0.00 175.52 176.82 3fy1 h SER 122 N 0.30 0.89 -0.21 4.18 4.64 -0.76 -2.43 113.55 120.17 3fy1 h SER 122 Ca 0.28 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 3fy1 h SER 122 Cb 0.37 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3fy1 h SER 122 CO -0.33 0.85 0.02 0.58 -0.87 0.00 0.00 176.83 177.09 3fy1 h VAL 123 N 0.92 1.24 -0.36 0.95 2.07 -0.35 -0.22 116.25 120.50 3fy1 h VAL 123 Ca 0.20 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 66.97 3fy1 h VAL 123 Cb 0.30 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3fy1 h VAL 123 CO -0.00 0.25 0.09 0.40 0.02 0.00 0.00 177.57 178.32 3fy1 h ILE 124 N 0.15 0.85 -0.32 4.57 2.04 -1.17 -0.68 117.51 122.95 3fy1 h ILE 124 Ca 0.06 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3fy1 h ILE 124 Cb 0.35 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3fy1 h ILE 124 CO 0.01 0.04 0.21 0.50 0.00 0.00 0.00 178.15 178.91 3fy1 h LYS 125 N 0.22 0.43 0.09 2.37 3.64 -1.30 -2.25 116.57 119.77 3fy1 h LYS 125 Ca 0.17 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3fy1 h LYS 125 Cb 0.17 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3fy1 h LYS 125 CO -0.20 0.30 -0.04 0.35 -2.27 0.00 0.00 179.45 177.59 3fy1 h PHE 126 N 0.43 -0.11 -0.54 1.91 3.04 -0.69 0.17 116.94 121.15 3fy1 h PHE 126 Ca 0.12 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 3fy1 h PHE 126 Cb -0.03 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 3fy1 h PHE 126 CO -0.05 0.08 0.24 -0.07 -2.02 0.00 0.00 178.31 176.49 3fy1 h LEU 127 N -0.27 0.72 -0.47 0.59 3.38 -1.14 -1.18 115.31 116.94 3fy1 h LEU 127 Ca -0.01 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 3fy1 h LEU 127 Cb 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3fy1 h LEU 127 CO 0.02 0.67 -0.01 0.03 0.09 0.00 0.00 178.44 179.24 3fy1 h ARG 128 N 0.73 0.83 -0.60 1.13 2.47 -1.37 0.25 114.38 117.82 3fy1 h ARG 128 Ca 0.18 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3fy1 h ARG 128 Cb 0.15 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 3fy1 h ARG 128 CO -0.02 0.89 0.40 0.37 0.56 0.00 0.00 179.97 182.16 3fy1 h GLN 129 N 0.68 0.80 -0.05 0.04 4.15 -0.67 -3.14 115.11 116.92 3fy1 h GLN 129 Ca 0.13 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3fy1 h GLN 129 Cb 0.52 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.03 3fy1 h GLN 129 CO 0.03 0.53 0.00 0.66 -1.93 0.00 0.00 178.83 178.12 3fy1 n TYR 130 N -4.66 0.02 -2.79 3.99 4.01 -0.47 -4.98 117.16 112.29 3fy1 n TYR 130 Ca 0.04 -0.01 -0.07 0.00 -0.16 0.00 0.00 57.90 57.70 3fy1 n TYR 130 Cb 0.02 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.08 3fy1 n TYR 130 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3fy1 n GLU 131 N 1.34 -2.40 -3.46 -0.72 1.02 -0.08 -4.77 120.64 111.57 3fy1 n GLU 131 Ca 0.14 0.25 -0.32 0.00 -0.02 0.00 0.00 57.16 57.22 3fy1 n GLU 131 Cb 0.60 -3.54 -0.05 0.00 -0.02 0.00 0.00 31.44 28.43 3fy1 n GLU 131 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3fy1 s PHE 132 N -3.10 3.45 -2.70 -0.32 0.08 -0.30 -4.84 117.98 110.24 3fy1 s PHE 132 Ca 0.16 0.82 0.26 0.00 0.12 0.00 0.00 56.93 58.29 3fy1 s PHE 132 Cb -0.07 -2.22 0.70 0.00 -0.57 0.00 0.00 43.02 40.86 3fy1 s PHE 132 CO 0.22 0.31 1.55 -0.25 -0.10 0.00 0.00 175.22 176.96 3fy1 n ASP 133 N -0.02 2.11 0.00 1.36 8.00 0.13 -4.57 116.55 123.55 3fy1 n ASP 133 Ca -0.01 -1.70 0.00 0.00 0.71 0.00 0.00 54.79 53.79 3fy1 n ASP 133 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 3fy1 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fy1 n GLY 134 N 1.25 -0.96 3.31 0.44 0.00 -1.08 -0.62 105.19 107.52 3fy1 n GLY 134 Ca 0.17 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 3fy1 n GLY 134 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fy1 s LEU 135 N 0.00 2.30 -0.33 0.99 2.96 -0.22 -1.46 118.68 122.91 3fy1 s LEU 135 Ca 0.00 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.39 3fy1 s LEU 135 Cb 0.00 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.26 3fy1 s LEU 135 CO 0.00 0.22 0.13 -0.62 -1.32 0.00 0.00 176.35 174.76 3fy1 s ASP 136 N -0.03 5.40 -0.02 3.68 2.15 0.12 -0.94 116.67 127.03 3fy1 s ASP 136 Ca -0.06 -0.92 -0.30 0.00 0.43 0.00 0.00 52.55 51.69 3fy1 s ASP 136 Cb -0.15 -1.93 -0.05 0.00 -0.30 0.00 0.00 42.92 40.50 3fy1 s ASP 136 CO 0.05 -0.29 1.33 -0.36 -0.17 0.00 0.00 175.17 175.73 3fy1 s PHE 137 N 1.49 2.96 -0.53 -5.34 0.40 0.25 -1.27 117.98 115.95 3fy1 s PHE 137 Ca 0.01 0.95 0.07 0.00 -0.60 0.00 0.00 56.93 57.36 3fy1 s PHE 137 Cb -0.19 -3.58 0.33 0.00 0.51 0.00 0.00 43.02 40.10 3fy1 s PHE 137 CO 0.04 -2.07 0.88 -3.47 0.70 0.00 0.00 175.22 171.30 3fy1 n ASP 138 N 5.33 3.52 -4.61 1.36 2.03 0.04 -0.27 116.55 123.95 3fy1 n ASP 138 Ca 0.12 -3.50 -0.42 0.00 0.52 0.00 0.00 54.79 51.51 3fy1 n ASP 138 Cb 0.44 -0.58 -0.04 0.00 -0.72 0.00 0.00 41.12 40.22 3fy1 n ASP 138 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 3fy1 s TRP 139 N -3.13 3.14 -0.53 -0.67 -0.11 -1.26 -0.82 118.94 115.56 3fy1 s TRP 139 Ca 0.46 0.86 0.02 0.00 1.22 0.00 0.00 56.10 58.66 3fy1 s TRP 139 Cb 0.29 -3.50 0.14 0.00 -1.50 0.00 0.00 33.47 28.90 3fy1 s TRP 139 CO -0.12 -0.72 0.29 -1.21 -4.62 0.00 0.00 176.95 170.57 3fy1 s GLU 140 N 3.31 2.10 0.06 5.86 2.02 -1.26 -4.18 118.70 126.61 3fy1 s GLU 140 Ca 0.37 -2.51 -0.04 0.00 0.02 0.00 0.00 54.97 52.81 3fy1 s GLU 140 Cb -0.13 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.64 3fy1 s GLU 140 CO 0.16 -1.11 0.06 0.71 0.02 0.00 0.00 175.26 175.10 3fy1 s TYR 141 N -0.09 0.35 0.35 1.61 1.51 -1.26 -4.55 117.35 115.26 3fy1 s TYR 141 Ca 0.16 -0.83 -0.29 0.00 -1.01 0.00 0.00 57.07 55.11 3fy1 s TYR 141 Cb -0.24 -0.24 -0.12 0.00 -0.11 0.00 0.00 41.96 41.26 3fy1 s TYR 141 CO -0.02 -0.44 1.44 -2.30 -1.11 0.00 0.00 175.55 173.13 3fy1 n PRO 142 N 0.12 2.48 -0.91 -1.71 -0.02 -1.26 -2.51 135.00 131.19 3fy1 n PRO 142 Ca -0.15 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3fy1 n PRO 142 Cb 0.61 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3fy1 n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fy1 n GLY 143 N 0.92 0.76 3.35 -1.23 0.00 -1.24 -3.76 105.19 104.00 3fy1 n GLY 143 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 3fy1 n GLY 143 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fy1 s SER 144 N -2.72 0.77 -1.49 1.61 1.04 -1.04 -4.77 113.70 107.10 3fy1 s SER 144 Ca 0.00 -1.47 -0.10 0.00 0.48 0.00 0.00 55.95 54.87 3fy1 s SER 144 Cb 0.00 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.72 3fy1 s SER 144 CO 0.00 -1.06 0.82 0.54 0.98 0.00 0.00 173.24 174.52 3fy1 n ARG 145 N -0.46 -4.75 0.00 4.02 1.74 -1.26 -1.72 116.66 114.23 3fy1 n ARG 145 Ca 0.03 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 3fy1 n ARG 145 Cb 0.63 -5.23 0.00 0.00 -1.02 0.00 0.00 32.46 26.84 3fy1 n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fy1 n GLY 146 N -1.66 3.33 3.68 -0.13 0.00 -1.26 -4.40 105.19 104.75 3fy1 n GLY 146 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3fy1 n GLY 146 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fy1 s SER 147 N -1.05 7.02 0.79 1.61 0.15 -0.70 -4.98 113.70 116.54 3fy1 s SER 147 Ca 0.00 1.82 -0.11 0.00 0.70 0.00 0.00 55.95 58.35 3fy1 s SER 147 Cb 0.00 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.82 3fy1 s SER 147 CO 0.00 -0.62 1.09 -2.16 1.20 0.00 0.00 173.24 172.75 3fy1 s PRO 148 N 2.40 2.17 0.46 5.44 0.04 -1.26 -2.99 135.00 141.26 3fy1 s PRO 148 Ca 0.56 0.75 0.15 0.00 0.04 0.00 0.00 61.00 62.51 3fy1 s PRO 148 Cb -0.25 -1.92 1.12 0.00 0.04 0.00 0.00 34.50 33.49 3fy1 s PRO 148 CO 0.21 -1.59 2.02 -1.35 0.04 0.00 0.00 177.00 176.34 3fy1 h PRO 149 N -1.07 0.28 0.00 0.56 0.11 -1.94 -1.65 132.00 128.29 3fy1 h PRO 149 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fy1 h PRO 149 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fy1 h PRO 149 CO 0.58 0.18 0.00 -0.56 -0.21 0.00 0.00 178.00 177.99 3fy1 h GLN 150 N 0.28 0.00 0.00 1.05 -0.00 -1.96 -2.75 115.11 111.73 3fy1 h GLN 150 Ca 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.83 3fy1 h GLN 150 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.94 3fy1 h GLN 150 CO -0.04 0.00 -0.13 -0.44 -0.00 0.00 0.00 178.83 178.22 3fy1 h ASP 151 N 0.00 0.00 0.14 0.06 5.19 -1.66 -1.18 116.42 118.98 3fy1 h ASP 151 Ca 0.00 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 3fy1 h ASP 151 Cb 0.20 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 3fy1 h ASP 151 CO 0.00 0.13 -0.19 0.50 -3.12 0.00 0.00 179.24 176.56 3fy1 h LYS 152 N 0.00 -0.37 -0.20 3.56 3.64 -1.68 0.16 116.57 121.67 3fy1 h LYS 152 Ca -0.00 0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 3fy1 h LYS 152 Cb 0.46 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3fy1 h LYS 152 CO 0.02 -0.25 -0.65 1.25 -2.27 0.00 0.00 179.45 177.55 3fy1 h HIS 153 N -0.38 1.05 -0.02 1.91 2.76 -1.71 -3.21 115.15 115.55 3fy1 h HIS 153 Ca 0.01 -0.43 -0.02 0.00 -2.20 0.00 0.00 60.37 57.74 3fy1 h HIS 153 Cb 0.38 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 3fy1 h HIS 153 CO -0.17 1.25 -0.07 -0.07 -1.30 0.00 0.00 177.93 177.57 3fy1 h LEU 154 N 0.55 0.02 -0.44 0.26 3.38 -1.08 -1.38 115.31 116.63 3fy1 h LEU 154 Ca -0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3fy1 h LEU 154 Cb 1.28 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 3fy1 h LEU 154 CO 0.14 0.10 0.19 0.15 0.09 0.00 0.00 178.44 179.11 3fy1 h PHE 155 N 0.03 0.65 -0.41 1.13 3.57 -0.69 0.25 116.94 121.47 3fy1 h PHE 155 Ca 0.01 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.51 3fy1 h PHE 155 Cb 0.14 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 3fy1 h PHE 155 CO 0.00 0.54 0.16 1.15 -2.23 0.00 0.00 178.31 177.93 3fy1 h THR 156 N 0.56 0.90 -0.30 4.41 2.02 -1.30 -1.05 112.91 118.14 3fy1 h THR 156 Ca 0.15 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.23 3fy1 h THR 156 Cb 0.16 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3fy1 h THR 156 CO -0.02 0.06 0.17 0.58 0.37 0.00 0.00 175.52 176.69 3fy1 h VAL 157 N 0.33 1.03 -0.35 3.16 2.07 -1.13 -0.48 116.25 120.89 3fy1 h VAL 157 Ca 0.19 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3fy1 h VAL 157 Cb 0.15 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3fy1 h VAL 157 CO -0.17 0.06 0.11 0.25 0.02 0.00 0.00 177.57 177.84 3fy1 h LEU 158 N 0.35 0.11 -0.37 2.57 5.85 -0.63 -0.62 115.31 122.57 3fy1 h LEU 158 Ca 0.12 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3fy1 h LEU 158 Cb 0.01 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3fy1 h LEU 158 CO -0.06 0.10 0.03 0.58 -0.34 0.00 0.00 178.44 178.75 3fy1 h VAL 159 N 0.25 1.25 -0.20 1.05 2.07 -0.91 -0.79 116.25 118.97 3fy1 h VAL 159 Ca 0.16 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3fy1 h VAL 159 Cb 0.14 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3fy1 h VAL 159 CO -0.17 0.31 0.13 -0.61 0.02 0.00 0.00 177.57 177.25 3fy1 h GLN 160 N 0.47 0.26 -0.92 1.57 4.15 -0.91 0.20 115.11 119.92 3fy1 h GLN 160 Ca 0.11 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3fy1 h GLN 160 Cb 0.42 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 3fy1 h GLN 160 CO 0.01 0.18 0.56 0.93 -1.93 0.00 0.00 178.83 178.59 3fy1 h GLU 161 N 0.26 1.25 -0.23 1.69 5.08 -0.97 -0.43 114.58 121.23 3fy1 h GLU 161 Ca 0.07 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3fy1 h GLU 161 Cb -0.02 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 3fy1 h GLU 161 CO -0.02 0.87 -0.01 1.98 -1.00 0.00 0.00 179.01 180.83 3fy1 h MET 162 N 1.27 0.41 -0.44 2.33 4.05 -0.89 -0.02 114.93 121.64 3fy1 h MET 162 Ca 0.33 -0.14 0.05 0.00 -0.28 0.00 0.00 59.70 59.66 3fy1 h MET 162 Cb -0.06 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.66 3fy1 h MET 162 CO -0.06 0.61 0.18 -0.09 0.23 0.00 0.00 176.91 177.77 3fy1 h ARG 163 N 0.17 0.35 -0.31 0.39 9.65 -0.63 0.12 114.38 124.12 3fy1 h ARG 163 Ca 0.06 -0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 58.77 3fy1 h ARG 163 Cb 0.43 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 3fy1 h ARG 163 CO 0.01 0.23 -0.42 0.93 2.80 0.00 0.00 179.97 183.53 3fy1 h GLU 164 N 0.36 0.76 -0.67 0.20 5.08 -1.01 -0.44 114.58 118.87 3fy1 h GLU 164 Ca 0.20 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3fy1 h GLU 164 Cb 0.17 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3fy1 h GLU 164 CO -0.19 1.03 0.42 0.00 -1.00 0.00 0.00 179.01 179.27 3fy1 h ALA 165 N 0.91 0.85 -0.65 3.43 0.00 -0.69 -1.40 119.26 121.71 3fy1 h ALA 165 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fy1 h ALA 165 Cb 0.98 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3fy1 h ALA 165 CO 0.09 0.31 0.38 0.74 0.00 0.00 0.00 179.25 180.78 3fy1 h PHE 166 N 0.91 0.86 -0.38 0.00 0.04 -0.43 -0.41 116.94 117.53 3fy1 h PHE 166 Ca 0.24 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.01 3fy1 h PHE 166 Cb -0.05 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.79 3fy1 h PHE 166 CO -0.02 0.59 0.24 0.93 -0.60 0.00 0.00 178.31 179.46 3fy1 h GLU 167 N 0.88 0.48 -0.45 1.51 5.08 -0.79 -1.67 114.58 119.63 3fy1 h GLU 167 Ca 0.23 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3fy1 h GLU 167 Cb -0.01 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3fy1 h GLU 167 CO -0.04 0.32 -0.06 1.96 -1.00 0.00 0.00 179.01 180.19 3fy1 h GLN 168 N 0.50 0.83 -0.73 2.33 1.08 -1.06 -3.08 115.11 114.98 3fy1 h GLN 168 Ca 0.14 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 57.01 3fy1 h GLN 168 Cb -0.04 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 3fy1 h GLN 168 CO -0.04 0.92 0.30 1.49 -0.95 0.00 0.00 178.83 180.54 3fy1 h GLU 169 N 0.67 1.09 -0.87 1.46 4.22 -0.97 -2.22 114.58 117.95 3fy1 h GLU 169 Ca 0.12 -0.19 0.09 0.00 0.08 0.00 0.00 59.36 59.46 3fy1 h GLU 169 Cb 0.58 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 3fy1 h GLU 169 CO 0.03 0.89 0.52 0.00 -2.18 0.00 0.00 179.01 178.28 3fy1 h ALA 170 N 1.14 1.24 0.01 2.92 0.00 -1.21 -1.99 119.26 121.37 3fy1 h ALA 170 Ca 0.24 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 3fy1 h ALA 170 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3fy1 h ALA 170 CO -0.02 0.17 -0.91 0.87 0.00 0.00 0.00 179.25 179.37 3fy1 h LYS 171 N 0.88 0.24 -0.03 0.00 1.57 -1.45 -0.37 116.57 117.41 3fy1 h LYS 171 Ca 0.41 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.80 3fy1 h LYS 171 Cb 0.33 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3fy1 h LYS 171 CO -0.23 0.99 -0.56 -0.56 -0.57 0.00 0.00 179.45 178.52 3fy1 h GLN 172 N 0.13 0.09 -0.02 3.15 3.07 -0.83 -3.18 115.11 117.52 3fy1 h GLN 172 Ca -0.05 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.63 3fy1 h GLN 172 Cb 1.54 0.01 0.00 0.00 0.08 0.00 0.00 27.48 29.11 3fy1 h GLN 172 CO 0.14 0.63 -0.16 0.44 0.09 0.00 0.00 178.83 179.97 3fy1 n ILE 173 N -3.88 0.00 -3.57 1.86 -5.35 -0.80 -5.01 119.36 102.60 3fy1 n ILE 173 Ca -0.02 -0.42 -0.20 0.00 -0.27 0.00 0.00 62.75 61.85 3fy1 n ILE 173 Cb 0.58 1.27 0.06 0.00 -1.74 0.00 0.00 39.64 39.81 3fy1 n ILE 173 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3fy1 n ASN 174 N 0.43 -1.80 -4.25 7.28 5.15 -0.23 -5.03 115.26 116.82 3fy1 n ASN 174 Ca 0.08 -0.72 -0.14 0.00 -0.60 0.00 0.00 54.58 53.21 3fy1 n ASN 174 Cb 0.38 -4.59 -0.10 0.00 -0.53 0.00 0.00 39.78 34.94 3fy1 n ASN 174 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3fy1 s LYS 175 N -5.71 1.05 0.37 1.20 1.02 -0.73 -5.04 119.74 111.90 3fy1 s LYS 175 Ca 0.03 -1.45 -0.26 0.00 0.02 0.00 0.00 55.97 54.32 3fy1 s LYS 175 Cb -0.02 -0.59 -0.12 0.00 -0.52 0.00 0.00 37.83 36.59 3fy1 s LYS 175 CO 0.77 0.06 1.06 -2.30 -0.92 0.00 0.00 175.35 174.03 3fy1 n PRO 176 N -0.19 1.50 -2.00 -1.68 -0.02 -1.26 -4.60 135.00 126.75 3fy1 n PRO 176 Ca -0.10 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 3fy1 n PRO 176 Cb 0.61 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 3fy1 n PRO 176 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3fy1 s ARG 177 N -1.88 4.26 0.41 -0.52 3.52 -1.26 -4.88 118.95 118.61 3fy1 s ARG 177 Ca 0.61 2.33 -0.26 0.00 -0.13 0.00 0.00 55.73 58.28 3fy1 s ARG 177 Cb -0.59 -3.07 -0.09 0.00 -1.56 0.00 0.00 34.95 29.64 3fy1 s ARG 177 CO 0.59 -0.37 1.34 -0.51 -0.81 0.00 0.00 175.30 175.54 3fy1 s LEU 178 N -1.14 4.21 0.35 -0.88 1.43 -1.26 -4.98 118.68 116.42 3fy1 s LEU 178 Ca 0.55 2.74 -0.14 0.00 -1.03 0.00 0.00 54.13 56.25 3fy1 s LEU 178 Cb -0.42 -3.88 -0.09 0.00 0.03 0.00 0.00 46.19 41.83 3fy1 s LEU 178 CO 0.50 -0.91 0.77 -0.04 0.23 0.00 0.00 176.35 176.90 3fy1 s MET 179 N -2.25 3.97 -0.12 1.70 -1.94 0.21 -4.88 119.30 116.00 3fy1 s MET 179 Ca 0.57 0.67 0.00 0.00 -1.71 0.00 0.00 55.69 55.22 3fy1 s MET 179 Cb -0.40 -2.39 0.02 0.00 2.01 0.00 0.00 34.83 34.07 3fy1 s MET 179 CO 0.52 0.09 -0.11 0.54 -0.01 0.00 0.00 175.02 176.04 3fy1 s VAL 180 N -2.10 1.25 0.31 -6.03 0.11 -1.26 -1.05 120.40 111.63 3fy1 s VAL 180 Ca 0.54 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 59.17 3fy1 s VAL 180 Cb -0.10 -1.21 -0.06 0.00 -1.53 0.00 0.00 36.38 33.49 3fy1 s VAL 180 CO 0.20 0.40 0.08 0.42 -3.33 0.00 0.00 175.10 172.87 3fy1 s THR 181 N 1.42 0.92 -0.10 5.04 -4.23 -0.12 -0.40 115.64 118.18 3fy1 s THR 181 Ca 0.01 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.44 3fy1 s THR 181 Cb -0.13 -2.71 0.03 0.00 1.34 0.00 0.00 72.50 71.03 3fy1 s THR 181 CO -0.07 0.00 0.26 0.00 -0.54 0.00 0.00 174.62 174.27 3fy1 s ALA 182 N -3.45 -0.63 -0.06 3.99 0.00 -1.07 -0.58 121.76 119.96 3fy1 s ALA 182 Ca 0.36 0.84 -0.24 0.00 0.00 0.00 0.00 51.96 52.92 3fy1 s ALA 182 Cb 0.08 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 3fy1 s ALA 182 CO 0.15 -0.15 0.74 0.00 0.00 0.00 0.00 175.76 176.50 3fy1 s ALA 183 N 0.55 3.32 0.15 0.00 0.00 0.63 -0.22 121.76 126.20 3fy1 s ALA 183 Ca -0.03 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.16 3fy1 s ALA 183 Cb -0.05 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3fy1 s ALA 183 CO -0.03 -0.15 -0.13 0.14 0.00 0.00 0.00 175.76 175.59 3fy1 s VAL 184 N 0.90 1.38 0.60 0.00 -7.23 0.05 -4.56 120.40 111.54 3fy1 s VAL 184 Ca 0.39 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.38 3fy1 s VAL 184 Cb -0.18 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 3fy1 s VAL 184 CO 0.19 -0.60 1.26 0.00 -0.31 0.00 0.00 175.10 175.64 3fy1 s ALA 185 N -2.84 2.55 -0.04 1.32 0.00 -1.26 -1.73 121.76 119.75 3fy1 s ALA 185 Ca 0.16 1.13 0.19 0.00 0.00 0.00 0.00 51.96 53.43 3fy1 s ALA 185 Cb -0.01 -3.50 -0.29 0.00 0.00 0.00 0.00 23.12 19.32 3fy1 s ALA 185 CO 0.03 -1.33 0.38 0.00 0.00 0.00 0.00 175.76 174.85 3fy1 n ALA 186 N -1.57 2.59 -2.36 0.00 0.00 -1.26 -4.66 120.51 113.26 3fy1 n ALA 186 Ca 0.14 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 3fy1 n ALA 186 Cb 0.48 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 3fy1 n ALA 186 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3fy1 s GLY 187 N -4.27 2.18 0.16 0.00 0.00 -1.26 -4.88 107.32 99.24 3fy1 s GLY 187 Ca -0.07 0.85 -0.16 0.00 0.00 0.00 0.00 44.72 45.34 3fy1 s GLY 187 CO 0.78 2.21 1.80 -2.22 0.00 0.00 0.00 173.10 175.67 3fy1 h ILE 188 N 4.65 1.06 -0.62 0.90 1.08 -1.93 0.00 117.51 122.66 3fy1 h ILE 188 Ca -0.39 -0.17 0.05 0.00 -0.39 0.00 0.00 64.86 63.96 3fy1 h ILE 188 Cb 1.20 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 35.42 3fy1 h ILE 188 CO 0.85 0.09 0.34 0.28 -0.69 0.00 0.00 178.15 179.02 3fy1 h SER 189 N 0.50 0.51 -0.78 1.72 0.02 -1.99 -0.75 113.55 112.78 3fy1 h SER 189 Ca 0.15 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3fy1 h SER 189 Cb -0.02 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3fy1 h SER 189 CO -0.06 0.34 0.34 0.78 -1.14 0.00 0.00 176.83 177.09 3fy1 h ASN 190 N 0.64 1.04 -0.21 3.07 2.35 -1.78 -2.08 115.58 118.62 3fy1 h ASN 190 Ca 0.27 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3fy1 h ASN 190 Cb 0.15 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3fy1 h ASN 190 CO -0.17 0.91 0.09 0.40 -1.65 0.00 0.00 177.43 177.01 3fy1 h ILE 191 N 1.11 1.14 -0.72 2.81 2.04 -0.58 -1.31 117.51 122.00 3fy1 h ILE 191 Ca 0.26 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3fy1 h ILE 191 Cb 0.17 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3fy1 h ILE 191 CO -0.03 0.14 0.28 1.56 0.00 0.00 0.00 178.15 180.10 3fy1 h GLN 192 N 0.20 1.07 -0.00 2.37 4.20 -1.00 -1.97 115.11 119.97 3fy1 h GLN 192 Ca 0.07 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3fy1 h GLN 192 Cb 0.13 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3fy1 h GLN 192 CO -0.01 0.87 -0.26 -1.13 -0.67 0.00 0.00 178.83 177.63 3fy1 n SER 193 N -4.29 0.56 -0.07 1.46 3.41 -0.79 -4.47 113.62 109.42 3fy1 n SER 193 Ca 0.06 -0.40 -0.09 0.00 -0.26 0.00 0.00 58.87 58.18 3fy1 n SER 193 Cb 0.19 0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.08 3fy1 n SER 193 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fy1 n GLY 194 N 1.40 -0.42 2.97 5.00 0.00 -0.50 -4.13 105.19 109.51 3fy1 n GLY 194 Ca 0.10 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 3fy1 n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fy1 s TYR 195 N -2.33 0.84 -0.98 1.61 1.51 -0.78 -4.45 117.35 112.77 3fy1 s TYR 195 Ca -0.15 -0.21 -0.17 0.00 -1.01 0.00 0.00 57.07 55.53 3fy1 s TYR 195 Cb 0.05 -0.63 0.15 0.00 -0.11 0.00 0.00 41.96 41.43 3fy1 s TYR 195 CO 0.46 -0.11 1.15 -1.21 -1.11 0.00 0.00 175.55 174.72 3fy1 s GLU 196 N 0.32 3.71 0.11 -0.62 2.02 -1.26 -4.84 118.70 118.14 3fy1 s GLU 196 Ca -0.05 -2.03 -0.23 0.00 0.02 0.00 0.00 54.97 52.68 3fy1 s GLU 196 Cb -0.09 -4.88 -0.08 0.00 0.10 0.00 0.00 34.13 29.18 3fy1 s GLU 196 CO 0.00 -1.70 1.69 0.82 0.02 0.00 0.00 175.26 176.09 3fy1 h ILE 197 N 5.44 0.71 -0.73 -1.63 2.04 -1.95 0.47 117.51 121.87 3fy1 h ILE 197 Ca 0.18 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 3fy1 h ILE 197 Cb 0.99 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3fy1 h ILE 197 CO 1.09 0.00 0.32 -0.65 0.00 0.00 0.00 178.15 178.91 3fy1 h PRO 198 N -0.19 1.07 -0.05 2.37 0.11 -1.77 -0.55 132.00 132.99 3fy1 h PRO 198 Ca 0.05 -0.18 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 3fy1 h PRO 198 Cb 0.25 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 3fy1 h PRO 198 CO -0.13 0.86 -0.06 1.96 -0.21 0.00 0.00 178.00 180.42 3fy1 h GLN 199 N 1.03 0.14 -0.47 1.05 7.50 -1.85 -3.03 115.11 119.48 3fy1 h GLN 199 Ca 0.25 -0.08 0.05 0.00 0.50 0.00 0.00 58.65 59.37 3fy1 h GLN 199 Cb 0.17 0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.66 3fy1 h GLN 199 CO -0.03 0.61 0.21 1.25 -1.50 0.00 0.00 178.83 179.38 3fy1 h LEU 200 N -0.33 0.29 -2.20 1.46 5.85 -0.87 -2.47 115.31 117.03 3fy1 h LEU 200 Ca 0.01 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3fy1 h LEU 200 Cb 0.59 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3fy1 h LEU 200 CO 0.02 0.20 0.15 0.28 -0.34 0.00 0.00 178.44 178.74 3fy1 h SER 201 N 0.42 0.00 0.15 1.25 0.02 -1.05 -1.94 113.55 112.40 3fy1 h SER 201 Ca 0.21 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.08 3fy1 h SER 201 Cb 0.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3fy1 h SER 201 CO -0.17 0.00 -0.27 -0.61 -1.14 0.00 0.00 176.83 174.64 3fy1 h GLN 202 N 0.00 0.21 0.00 3.45 4.15 -1.31 -3.32 115.11 118.28 3fy1 h GLN 202 Ca 0.07 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 3fy1 h GLN 202 Cb 0.37 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3fy1 h GLN 202 CO -0.00 0.47 -1.85 0.66 -1.93 0.00 0.00 178.83 176.18 3fy1 n TYR 203 N -4.15 0.00 -2.61 3.99 4.02 -0.77 -4.95 117.16 112.69 3fy1 n TYR 203 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.48 3fy1 n TYR 203 Cb 0.37 -0.48 -0.05 0.00 -0.02 0.00 0.00 39.34 39.16 3fy1 n TYR 203 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3fy1 s LEU 204 N -4.42 4.59 0.07 7.72 1.43 -0.98 -4.84 118.68 122.24 3fy1 s LEU 204 Ca -0.07 2.10 -0.16 0.00 -1.03 0.00 0.00 54.13 54.97 3fy1 s LEU 204 Cb 0.09 -3.62 -0.17 0.00 0.03 0.00 0.00 46.19 42.52 3fy1 s LEU 204 CO 0.69 -0.01 1.25 0.44 0.23 0.00 0.00 176.35 178.96 3fy1 h ASP 205 N 4.11 0.75 -4.99 2.29 3.32 -1.05 -3.47 116.42 117.37 3fy1 h ASP 205 Ca -0.46 -0.64 -0.15 0.00 0.02 0.00 0.00 57.03 55.80 3fy1 h ASP 205 Cb 1.21 -0.22 -0.20 0.00 0.22 0.00 0.00 39.33 40.33 3fy1 h ASP 205 CO 0.68 1.27 -0.54 -0.31 -1.72 0.00 0.00 179.24 178.62 3fy1 s TYR 206 N -3.69 0.11 -0.29 4.55 1.51 -1.26 -4.82 117.35 113.47 3fy1 s TYR 206 Ca -0.12 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 3fy1 s TYR 206 Cb 0.07 -0.09 0.07 0.00 -0.11 0.00 0.00 41.96 41.89 3fy1 s TYR 206 CO 0.86 -0.27 -0.04 0.42 -1.11 0.00 0.00 175.55 175.40 3fy1 s ILE 207 N -1.53 2.43 -0.72 2.71 1.01 0.03 -2.59 121.20 122.54 3fy1 s ILE 207 Ca -0.14 -1.71 -0.20 0.00 0.00 0.00 0.00 60.65 58.60 3fy1 s ILE 207 Cb -0.08 -2.49 0.11 0.00 0.01 0.00 0.00 42.46 40.01 3fy1 s ILE 207 CO 0.00 -0.17 0.90 -1.00 0.00 0.00 0.00 174.94 174.67 3fy1 s HIS 208 N 1.10 2.99 -0.22 3.97 3.76 0.70 -0.55 115.29 127.04 3fy1 s HIS 208 Ca -0.04 -1.03 -0.23 0.00 -0.15 0.00 0.00 55.06 53.61 3fy1 s HIS 208 Cb -0.20 -4.15 -0.01 0.00 1.11 0.00 0.00 32.58 29.32 3fy1 s HIS 208 CO -0.05 -1.43 0.76 0.08 -0.85 0.00 0.00 174.74 173.25 3fy1 s VAL 209 N 2.91 4.91 -1.40 -0.90 1.01 -0.51 -0.77 120.40 125.65 3fy1 s VAL 209 Ca 0.21 1.43 -0.13 0.00 0.00 0.00 0.00 61.98 63.49 3fy1 s VAL 209 Cb -0.16 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.24 3fy1 s VAL 209 CO 0.02 0.00 2.10 0.23 0.00 0.00 0.00 175.10 177.45 3fy1 n MET 210 N 5.59 3.08 -1.65 2.72 2.81 -0.71 -1.76 117.12 127.21 3fy1 n MET 210 Ca 0.03 -2.90 -0.41 0.00 -1.81 0.00 0.00 57.70 52.61 3fy1 n MET 210 Cb 0.48 -3.20 -0.01 0.00 -0.71 0.00 0.00 33.22 29.78 3fy1 n MET 210 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3fy1 n THR 211 N 4.68 4.13 -3.47 2.03 -2.24 -1.26 -4.24 114.28 113.92 3fy1 n THR 211 Ca 0.48 -3.13 -0.05 0.00 -2.27 0.00 0.00 64.05 59.09 3fy1 n THR 211 Cb 0.39 -2.52 0.02 0.00 -2.10 0.00 0.00 70.33 66.11 3fy1 n THR 211 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fy1 n TYR 212 N 4.28 -1.69 -3.03 4.78 0.18 -1.26 -4.70 117.16 115.71 3fy1 n TYR 212 Ca 0.63 -1.01 -0.20 0.00 1.88 0.00 0.00 57.90 59.21 3fy1 n TYR 212 Cb 0.30 0.50 0.00 0.00 -0.38 0.00 0.00 39.34 39.77 3fy1 n TYR 212 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 3fy1 n ASP 213 N -1.27 -4.09 0.22 9.48 8.00 -0.93 -4.87 116.55 123.09 3fy1 n ASP 213 Ca -0.05 -0.19 0.11 0.00 0.71 0.00 0.00 54.79 55.37 3fy1 n ASP 213 Cb 0.33 -3.40 0.28 0.00 -0.02 0.00 0.00 41.12 38.31 3fy1 n ASP 213 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3fy1 h LEU 214 N -0.73 0.00 -8.28 0.64 3.38 -1.49 -3.44 115.31 105.39 3fy1 h LEU 214 Ca -0.40 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.40 3fy1 h LEU 214 Cb 1.28 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.87 3fy1 h LEU 214 CO 0.48 0.12 -0.69 -1.00 0.09 0.00 0.00 178.44 177.43 3fy1 s HIS 215 N -3.30 0.64 0.13 1.13 3.76 -1.15 -4.96 115.29 111.55 3fy1 s HIS 215 Ca 0.05 -0.91 -0.25 0.00 -0.15 0.00 0.00 55.06 53.80 3fy1 s HIS 215 Cb 0.07 -0.42 0.08 0.00 1.11 0.00 0.00 32.58 33.42 3fy1 s HIS 215 CO 0.66 -0.25 1.07 0.20 -0.85 0.00 0.00 174.74 175.57 3fy1 s GLY 216 N -2.70 -0.09 0.60 -2.22 0.00 -1.26 -4.64 107.32 97.01 3fy1 s GLY 216 Ca 0.05 -0.01 0.31 0.00 0.00 0.00 0.00 44.72 45.07 3fy1 s GLY 216 CO -0.06 1.57 2.17 1.48 0.00 0.00 0.00 173.10 178.26 3fy1 h SER 217 N 2.00 0.00 -0.39 1.64 4.64 -1.85 -1.93 113.55 117.65 3fy1 h SER 217 Ca -0.26 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.17 3fy1 h SER 217 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3fy1 h SER 217 CO 0.31 0.00 0.46 4.11 -0.87 0.00 0.00 176.83 180.84 3fy1 h TRP 218 N 0.00 0.00 0.00 4.77 0.09 -1.95 -0.68 115.95 118.18 3fy1 h TRP 218 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.02 3fy1 h TRP 218 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.53 3fy1 h TRP 218 CO 0.00 0.00 -0.17 0.93 0.09 0.00 0.00 178.44 179.29 3fy1 h GLU 219 N 0.00 0.00 0.00 0.12 5.08 -1.78 -3.47 114.58 114.53 3fy1 h GLU 219 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3fy1 h GLU 219 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3fy1 h GLU 219 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3fy1 n GLY 220 N 1.22 0.58 3.24 -3.84 0.00 -0.26 -5.02 105.19 101.11 3fy1 n GLY 220 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3fy1 n GLY 220 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3fy1 s TYR 221 N -2.32 0.20 0.33 1.61 -0.85 -1.26 -1.51 117.35 113.55 3fy1 s TYR 221 Ca 0.00 -0.61 -0.28 0.00 -0.52 0.00 0.00 57.07 55.66 3fy1 s TYR 221 Cb 0.00 -0.05 -0.10 0.00 0.38 0.00 0.00 41.96 42.20 3fy1 s TYR 221 CO 0.00 -0.59 1.25 0.95 -1.52 0.00 0.00 175.55 175.63 3fy1 s THR 222 N -3.88 2.92 0.16 -3.49 -4.23 0.22 -4.75 115.64 102.59 3fy1 s THR 222 Ca 0.08 0.90 -0.21 0.00 -1.18 0.00 0.00 61.69 61.28 3fy1 s THR 222 Cb 0.04 -3.56 0.06 0.00 1.34 0.00 0.00 72.50 70.38 3fy1 s THR 222 CO -0.08 0.19 0.55 -0.83 -0.54 0.00 0.00 174.62 173.91 3fy1 s GLY 223 N -0.67 -0.47 0.30 3.99 0.00 -1.26 -1.28 107.32 107.94 3fy1 s GLY 223 Ca 0.50 0.26 -0.17 0.00 0.00 0.00 0.00 44.72 45.31 3fy1 s GLY 223 CO 0.48 -0.00 0.75 -0.54 0.00 0.00 0.00 173.10 173.80 3fy1 s GLU 224 N -3.78 4.11 0.05 2.90 0.41 -1.26 -4.60 118.70 116.53 3fy1 s GLU 224 Ca 0.03 0.78 -0.22 0.00 -0.41 0.00 0.00 54.97 55.15 3fy1 s GLU 224 Cb -0.01 -2.56 -0.14 0.00 -1.78 0.00 0.00 34.13 29.64 3fy1 s GLU 224 CO -0.11 0.22 1.48 -0.97 -0.49 0.00 0.00 175.26 175.39 3fy1 h ASN 225 N 2.61 0.17 -1.57 -0.19 -1.24 -1.82 -3.03 115.58 110.51 3fy1 h ASN 225 Ca -0.48 -0.30 -0.44 0.00 0.71 0.00 0.00 56.30 55.80 3fy1 h ASN 225 Cb 1.18 -0.05 -0.34 0.00 0.73 0.00 0.00 38.32 39.84 3fy1 h ASN 225 CO 0.65 0.43 -1.03 -0.24 -1.29 0.00 0.00 177.43 175.95 3fy1 n SER 226 N -4.82 0.05 -4.77 1.15 2.88 -1.26 -1.56 113.62 105.29 3fy1 n SER 226 Ca -0.06 -3.11 -0.39 0.00 -1.33 0.00 0.00 58.87 53.98 3fy1 n SER 226 Cb 0.19 -0.08 -0.01 0.00 -0.75 0.00 0.00 64.21 63.57 3fy1 n SER 226 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3fy1 s PRO 227 N -1.69 4.03 0.03 -1.46 0.04 -1.26 -4.81 135.00 129.89 3fy1 s PRO 227 Ca 0.36 2.08 -0.19 0.00 0.04 0.00 0.00 61.00 63.29 3fy1 s PRO 227 Cb 0.31 -2.77 -0.18 0.00 0.04 0.00 0.00 34.50 31.90 3fy1 s PRO 227 CO -0.08 -0.41 1.23 1.25 0.04 0.00 0.00 177.00 179.03 3fy1 h LEU 228 N 2.75 0.54 -9.62 -3.56 5.85 -1.53 0.28 115.31 110.03 3fy1 h LEU 228 Ca -0.49 -0.62 -0.61 0.00 0.84 0.00 0.00 57.88 57.00 3fy1 h LEU 228 Cb 1.24 -0.16 -0.13 0.00 0.37 0.00 0.00 40.66 41.98 3fy1 h LEU 228 CO 0.63 1.07 -0.59 -0.31 -0.34 0.00 0.00 178.44 178.89 3fy1 s TYR 229 N -3.75 2.36 0.59 1.25 2.02 -1.25 -1.44 117.35 117.12 3fy1 s TYR 229 Ca -0.13 -0.75 -0.17 0.00 -0.37 0.00 0.00 57.07 55.64 3fy1 s TYR 229 Cb 0.05 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 3fy1 s TYR 229 CO 0.80 0.35 1.08 -1.59 -1.57 0.00 0.00 175.55 174.62 3fy1 s LYS 230 N -3.75 3.25 0.26 -0.62 -2.85 -1.26 -4.56 119.74 110.19 3fy1 s LYS 230 Ca 0.32 1.37 -0.17 0.00 -1.00 0.00 0.00 55.97 56.49 3fy1 s LYS 230 Cb 0.09 -2.01 -0.08 0.00 -2.06 0.00 0.00 37.83 33.76 3fy1 s LYS 230 CO 0.16 -0.89 0.70 -0.47 0.10 0.00 0.00 175.35 174.96 3fy1 s TYR 231 N -2.21 3.52 0.43 1.78 5.04 -1.26 -4.56 117.35 120.09 3fy1 s TYR 231 Ca 0.67 1.26 0.25 0.00 -2.44 0.00 0.00 57.07 56.81 3fy1 s TYR 231 Cb -0.19 -2.54 1.26 0.00 0.35 0.00 0.00 41.96 40.84 3fy1 s TYR 231 CO 0.34 0.24 1.73 -1.35 -1.34 0.00 0.00 175.55 175.17 3fy1 h PRO 232 N 2.92 0.24 -0.00 4.97 0.11 -1.97 0.19 132.00 138.46 3fy1 h PRO 232 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3fy1 h PRO 232 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3fy1 h PRO 232 CO 0.66 0.16 -0.06 0.25 -0.21 0.00 0.00 178.00 178.80 3fy1 n THR 233 N -4.58 0.00 -2.07 -1.15 -2.24 -1.26 -4.73 114.28 98.25 3fy1 n THR 233 Ca 0.29 -0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.71 3fy1 n THR 233 Cb 1.10 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 3fy1 n THR 233 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3fy1 s ASP 234 N -2.44 5.26 0.22 3.42 -0.00 0.05 -4.97 116.67 118.21 3fy1 s ASP 234 Ca 0.31 -0.23 0.06 0.00 -0.00 0.00 0.00 52.55 52.69 3fy1 s ASP 234 Cb 0.20 -2.55 -0.04 0.00 -0.00 0.00 0.00 42.92 40.54 3fy1 s ASP 234 CO 0.46 -2.52 0.20 0.42 -0.00 0.00 0.00 175.17 173.72 3fy1 s THR 235 N 9.38 4.56 0.00 -1.27 -4.23 -1.26 -3.92 115.64 118.90 3fy1 s THR 235 Ca 0.67 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 3fy1 s THR 235 Cb -0.09 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.32 3fy1 s THR 235 CO 0.09 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 3fy1 n GLY 236 N -0.94 3.17 0.31 3.99 0.00 -1.26 -1.58 105.19 108.88 3fy1 n GLY 236 Ca -0.08 -0.17 0.20 0.00 0.00 0.00 0.00 46.02 45.98 3fy1 n GLY 236 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fy1 h SER 237 N 2.69 0.00 0.28 1.61 4.64 -2.03 -1.95 113.55 118.78 3fy1 h SER 237 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3fy1 h SER 237 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3fy1 h SER 237 CO 0.00 0.00 -0.10 0.78 -0.87 0.00 0.00 176.83 176.64 3fy1 h ASN 238 N 0.00 0.00 0.25 4.97 2.35 -1.62 -2.45 115.58 119.09 3fy1 h ASN 238 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fy1 h ASN 238 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3fy1 h ASN 238 CO 0.00 0.10 0.00 0.00 -1.65 0.00 0.00 177.43 175.88 3fy1 n ALA 239 N -2.30 1.58 0.99 -0.83 0.00 -0.73 -2.02 120.51 117.20 3fy1 n ALA 239 Ca -0.02 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.49 3fy1 n ALA 239 Cb 0.21 -1.17 0.21 0.00 0.00 0.00 0.00 19.45 18.70 3fy1 n ALA 239 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fy1 n TYR 240 N -1.36 0.01 -1.79 0.00 4.01 -0.92 -4.65 117.16 112.45 3fy1 n TYR 240 Ca 0.04 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.39 3fy1 n TYR 240 Cb 0.10 -0.23 -0.01 0.00 -0.31 0.00 0.00 39.34 38.88 3fy1 n TYR 240 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3fy1 n LEU 241 N -1.51 8.22 -3.60 7.72 4.77 -0.86 -4.37 117.00 127.37 3fy1 n LEU 241 Ca 0.05 -4.73 -0.12 0.00 -0.03 0.00 0.00 56.01 51.18 3fy1 n LEU 241 Cb 0.34 -1.41 -0.05 0.00 -2.33 0.00 0.00 43.42 39.96 3fy1 n LEU 241 CO 0.36 2.06 0.21 0.54 -1.33 0.00 0.00 177.39 179.23 3fy1 s ASN 242 N 0.87 -0.34 0.18 -1.43 2.20 -1.26 -4.72 114.94 110.44 3fy1 s ASN 242 Ca 0.59 -0.07 -0.13 0.00 -0.94 0.00 0.00 52.86 52.30 3fy1 s ASN 242 Cb 0.19 0.48 0.11 0.00 -2.00 0.00 0.00 41.25 40.02 3fy1 s ASN 242 CO -0.09 -0.78 1.82 0.58 -2.94 0.00 0.00 177.10 175.69 3fy1 h VAL 243 N 2.61 1.07 -0.16 3.54 2.07 -0.91 -2.34 116.25 122.13 3fy1 h VAL 243 Ca -0.32 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3fy1 h VAL 243 Cb 1.24 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3fy1 h VAL 243 CO 0.44 0.12 0.08 -0.78 0.02 0.00 0.00 177.57 177.45 3fy1 h ASP 244 N 0.66 0.13 -0.26 0.57 3.58 -1.49 -0.87 116.42 118.73 3fy1 h ASP 244 Ca 0.22 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 3fy1 h ASP 244 Cb 0.01 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 3fy1 h ASP 244 CO -0.09 0.10 0.12 0.22 -2.88 0.00 0.00 179.24 176.71 3fy1 h TYR 245 N 0.17 0.38 -0.12 0.28 3.20 -1.78 -2.46 116.97 116.65 3fy1 h TYR 245 Ca 0.06 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3fy1 h TYR 245 Cb 0.01 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 3fy1 h TYR 245 CO -0.09 0.36 0.05 0.28 -1.64 0.00 0.00 178.16 177.12 3fy1 h VAL 246 N 0.28 1.16 -0.47 1.81 2.07 -1.23 0.17 116.25 120.04 3fy1 h VAL 246 Ca 0.09 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 3fy1 h VAL 246 Cb 0.13 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3fy1 h VAL 246 CO -0.01 0.14 0.29 0.24 0.02 0.00 0.00 177.57 178.25 3fy1 h MET 247 N 0.03 0.64 -0.10 1.57 2.86 -1.20 -2.10 114.93 116.62 3fy1 h MET 247 Ca 0.04 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 3fy1 h MET 247 Cb 0.18 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3fy1 h MET 247 CO -0.00 0.46 -0.25 -0.91 1.06 0.00 0.00 176.91 177.27 3fy1 h ASN 248 N 0.63 0.16 0.11 1.22 2.35 -1.26 -1.64 115.58 117.16 3fy1 h ASN 248 Ca 0.17 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3fy1 h ASN 248 Cb -0.02 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3fy1 h ASN 248 CO -0.03 0.42 -0.05 0.22 -1.65 0.00 0.00 177.43 176.34 3fy1 h TYR 249 N 0.15 -0.14 -0.47 1.19 3.20 -0.20 0.16 116.97 120.86 3fy1 h TYR 249 Ca 0.02 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.94 3fy1 h TYR 249 Cb 0.53 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 3fy1 h TYR 249 CO 0.01 -0.03 0.20 -1.49 -1.64 0.00 0.00 178.16 175.20 3fy1 h TRP 250 N -0.22 0.35 0.44 -3.82 4.06 -1.16 -1.69 115.95 113.92 3fy1 h TRP 250 Ca -0.02 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3fy1 h TRP 250 Cb 0.18 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.25 3fy1 h TRP 250 CO -0.05 0.15 -0.21 -0.22 -3.56 0.00 0.00 178.44 174.55 3fy1 h LYS 251 N 0.39 -0.56 0.00 0.49 3.64 -1.15 -1.94 116.57 117.44 3fy1 h LYS 251 Ca 0.21 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3fy1 h LYS 251 Cb 0.18 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3fy1 h LYS 251 CO -0.19 -0.36 -0.06 -0.44 -2.27 0.00 0.00 179.45 176.12 3fy1 h ASP 252 N -0.61 0.00 -0.58 4.20 3.32 -0.55 -2.39 116.42 119.81 3fy1 h ASP 252 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3fy1 h ASP 252 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3fy1 h ASP 252 CO 0.10 0.06 0.00 0.59 -1.72 0.00 0.00 179.24 178.27 3fy1 n ASN 253 N -3.45 4.92 0.00 6.45 3.02 -0.65 -4.94 115.26 120.61 3fy1 n ASN 253 Ca -0.02 -2.63 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 3fy1 n ASN 253 Cb 0.20 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 3fy1 n ASN 253 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fy1 n GLY 254 N 0.80 1.14 3.69 7.41 0.00 -0.90 -4.08 105.19 113.25 3fy1 n GLY 254 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 3fy1 n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy1 s ALA 255 N -1.62 3.41 0.24 4.61 0.00 -0.74 -4.41 121.76 123.25 3fy1 s ALA 255 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.73 3fy1 s ALA 255 Cb 0.00 -3.08 -0.10 0.00 0.00 0.00 0.00 23.12 19.94 3fy1 s ALA 255 CO 0.00 -0.36 1.46 -2.14 0.00 0.00 0.00 175.76 174.72 3fy1 s PRO 256 N 1.42 4.26 0.32 0.00 0.02 -1.26 -4.13 135.00 135.63 3fy1 s PRO 256 Ca 0.38 2.31 0.07 0.00 0.02 0.00 0.00 61.00 63.77 3fy1 s PRO 256 Cb -0.17 -3.11 0.74 0.00 0.02 0.00 0.00 34.50 31.97 3fy1 s PRO 256 CO 0.16 -0.45 1.82 0.00 -0.33 0.00 0.00 177.00 178.20 3fy1 h ALA 257 N 5.24 1.72 0.00 -1.55 0.00 -1.92 -1.42 119.26 121.34 3fy1 h ALA 257 Ca -0.46 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3fy1 h ALA 257 Cb 1.22 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3fy1 h ALA 257 CO 0.79 -0.02 -0.03 1.05 0.00 0.00 0.00 179.25 181.04 3fy1 h GLU 258 N 0.78 0.00 0.00 0.00 9.09 -1.88 -1.49 114.58 121.08 3fy1 h GLU 258 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 3fy1 h GLU 258 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 3fy1 h GLU 258 CO -0.29 0.03 -0.93 1.63 0.05 0.00 0.00 179.01 179.51 3fy1 n LYS 259 N -3.21 0.16 -2.76 1.06 5.02 -0.55 -3.73 118.16 114.14 3fy1 n LYS 259 Ca -0.01 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 3fy1 n LYS 259 Cb 0.22 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 3fy1 n LYS 259 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fy1 s LEU 260 N -3.48 4.31 -0.17 -0.35 1.43 -0.62 -0.79 118.68 118.99 3fy1 s LEU 260 Ca 0.06 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 3fy1 s LEU 260 Cb 0.16 -3.47 0.01 0.00 0.03 0.00 0.00 46.19 42.91 3fy1 s LEU 260 CO 0.80 -0.31 -0.17 -0.63 0.23 0.00 0.00 176.35 176.26 3fy1 s ILE 261 N 1.40 2.34 0.11 -0.59 -1.09 0.29 -0.77 121.20 122.90 3fy1 s ILE 261 Ca 0.48 -0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 57.74 3fy1 s ILE 261 Cb -0.19 -1.99 -0.06 0.00 -1.58 0.00 0.00 42.46 38.64 3fy1 s ILE 261 CO 0.22 0.52 1.04 -0.69 -1.23 0.00 0.00 174.94 174.80 3fy1 s VAL 262 N 1.15 4.29 -0.09 2.92 1.01 -0.47 -1.43 120.40 127.79 3fy1 s VAL 262 Ca 0.01 1.84 -0.28 0.00 0.00 0.00 0.00 61.98 63.56 3fy1 s VAL 262 Cb -0.14 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 3fy1 s VAL 262 CO -0.07 0.25 0.91 -0.83 0.00 0.00 0.00 175.10 175.36 3fy1 s GLY 263 N 0.27 2.48 -0.17 4.51 0.00 -0.72 -0.53 107.32 113.16 3fy1 s GLY 263 Ca 0.50 0.29 0.01 0.00 0.00 0.00 0.00 44.72 45.53 3fy1 s GLY 263 CO 0.31 1.68 -0.20 -1.36 0.00 0.00 0.00 173.10 173.53 3fy1 s PHE 264 N 1.59 2.72 -0.12 1.90 0.40 0.57 -4.44 117.98 120.61 3fy1 s PHE 264 Ca 0.45 -1.56 -0.17 0.00 -0.60 0.00 0.00 56.93 55.05 3fy1 s PHE 264 Cb -0.18 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 3fy1 s PHE 264 CO 0.19 -0.76 0.43 -1.25 0.70 0.00 0.00 175.22 174.53 3fy1 s PRO 265 N 1.19 4.31 -0.52 0.24 0.04 -1.26 -1.17 135.00 137.83 3fy1 s PRO 265 Ca 0.02 0.36 0.01 0.00 0.04 0.00 0.00 61.00 61.43 3fy1 s PRO 265 Cb -0.14 -3.43 0.50 0.00 0.04 0.00 0.00 34.50 31.48 3fy1 s PRO 265 CO -0.10 0.19 1.95 0.25 0.04 0.00 0.00 177.00 179.33 3fy1 n THR 266 N 3.59 3.28 -3.87 1.26 -2.24 -0.20 -4.64 114.28 111.47 3fy1 n THR 266 Ca -0.08 -2.28 -0.09 0.00 -2.27 0.00 0.00 64.05 59.32 3fy1 n THR 266 Cb 0.52 -0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 67.80 3fy1 n THR 266 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3fy1 s TYR 267 N -3.28 0.20 0.30 4.78 -0.85 -1.26 -0.99 117.35 116.24 3fy1 s TYR 267 Ca 0.56 -0.57 0.06 0.00 -0.52 0.00 0.00 57.07 56.60 3fy1 s TYR 267 Cb 0.45 0.04 -0.06 0.00 0.38 0.00 0.00 41.96 42.77 3fy1 s TYR 267 CO 0.04 -0.70 -0.03 0.20 -1.52 0.00 0.00 175.55 173.54 3fy1 s GLY 268 N -2.91 1.95 -0.17 5.49 0.00 0.48 -4.52 107.32 107.64 3fy1 s GLY 268 Ca 0.11 -1.98 -0.08 0.00 0.00 0.00 0.00 44.72 42.78 3fy1 s GLY 268 CO -0.04 -1.86 0.10 0.30 0.00 0.00 0.00 173.10 171.60 3fy1 s HIS 269 N -3.04 3.39 0.32 1.90 3.76 -0.67 -1.66 115.29 119.29 3fy1 s HIS 269 Ca 0.32 0.29 0.09 0.00 -0.15 0.00 0.00 55.06 55.60 3fy1 s HIS 269 Cb 0.05 -2.07 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 3fy1 s HIS 269 CO 0.13 0.36 0.10 0.54 -0.85 0.00 0.00 174.74 175.02 3fy1 s ASN 270 N -0.01 4.64 0.04 1.40 2.20 -0.66 -1.47 114.94 121.08 3fy1 s ASN 270 Ca 0.08 -0.75 -0.02 0.00 -0.94 0.00 0.00 52.86 51.24 3fy1 s ASN 270 Cb -0.12 -0.76 -0.03 0.00 -2.00 0.00 0.00 41.25 38.35 3fy1 s ASN 270 CO 0.00 -0.22 -0.00 -0.36 -2.94 0.00 0.00 177.10 173.57 3fy1 s PHE 271 N -2.40 0.38 -0.32 1.54 0.40 0.82 -1.55 117.98 116.84 3fy1 s PHE 271 Ca 0.36 -0.80 -0.14 0.00 -0.60 0.00 0.00 56.93 55.75 3fy1 s PHE 271 Cb -0.03 -0.28 -0.02 0.00 0.51 0.00 0.00 43.02 43.20 3fy1 s PHE 271 CO 0.22 -0.32 0.31 0.42 0.70 0.00 0.00 175.22 176.54 3fy1 s ILE 272 N -2.94 5.22 0.18 0.64 -1.09 0.04 -1.87 121.20 121.38 3fy1 s ILE 272 Ca -0.02 0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.17 3fy1 s ILE 272 Cb 0.01 -3.73 -0.08 0.00 -1.58 0.00 0.00 42.46 37.07 3fy1 s ILE 272 CO -0.06 0.02 1.30 -0.76 -1.23 0.00 0.00 174.94 174.20 3fy1 s LEU 273 N 1.92 4.41 0.30 2.97 1.43 0.73 -0.57 118.68 129.87 3fy1 s LEU 273 Ca 0.10 2.35 0.13 0.00 -1.03 0.00 0.00 54.13 55.68 3fy1 s LEU 273 Cb -0.17 -3.60 0.45 0.00 0.03 0.00 0.00 46.19 42.90 3fy1 s LEU 273 CO 0.11 -0.52 1.65 0.28 0.23 0.00 0.00 176.35 178.09 3fy1 h SER 274 N 5.63 0.00 -3.25 2.29 0.02 -1.20 -3.41 113.55 113.63 3fy1 h SER 274 Ca -0.44 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 59.98 3fy1 h SER 274 Cb 1.21 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.36 3fy1 h SER 274 CO 0.78 0.54 -0.76 0.21 -1.14 0.00 0.00 176.83 176.46 3fy1 s ASN 275 N -6.70 3.14 0.64 3.07 3.84 -1.26 -5.04 114.94 112.63 3fy1 s ASN 275 Ca -0.01 -0.98 0.31 0.00 0.21 0.00 0.00 52.86 52.40 3fy1 s ASN 275 Cb 0.12 -0.65 1.71 0.00 -0.55 0.00 0.00 41.25 41.89 3fy1 s ASN 275 CO 0.74 -0.33 1.96 -0.65 -2.79 0.00 0.00 177.10 176.03 3fy1 h PRO 276 N 8.22 0.00 -0.26 0.43 0.11 -1.81 0.16 132.00 138.85 3fy1 h PRO 276 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3fy1 h PRO 276 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3fy1 h PRO 276 CO 0.36 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.60 3fy1 n SER 277 N -2.85 3.60 -4.13 -2.05 2.88 -1.26 -4.76 113.62 105.05 3fy1 n SER 277 Ca -0.02 -2.82 -0.36 0.00 -1.33 0.00 0.00 58.87 54.34 3fy1 n SER 277 Cb 0.31 -0.47 -0.12 0.00 -0.75 0.00 0.00 64.21 63.18 3fy1 n SER 277 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3fy1 s ASN 278 N -1.79 5.18 0.00 -3.46 3.84 0.56 -4.98 114.94 114.30 3fy1 s ASN 278 Ca 0.37 -1.91 0.00 0.00 0.21 0.00 0.00 52.86 51.54 3fy1 s ASN 278 Cb 0.29 -1.80 0.00 0.00 -0.55 0.00 0.00 41.25 39.19 3fy1 s ASN 278 CO 0.10 -0.49 0.66 0.35 -2.79 0.00 0.00 177.10 174.93 3fy1 n THR 279 N 4.59 0.42 -2.17 -5.21 -2.24 -1.26 -4.72 114.28 103.69 3fy1 n THR 279 Ca -0.04 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 61.07 3fy1 n THR 279 Cb 0.42 0.89 0.12 0.00 -2.10 0.00 0.00 70.33 69.66 3fy1 n THR 279 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fy1 n GLY 280 N -0.21 -0.24 3.72 3.38 0.00 -1.26 -4.98 105.19 105.60 3fy1 n GLY 280 Ca 0.00 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 3fy1 n GLY 280 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fy1 s ILE 281 N -2.70 2.70 0.00 -0.61 -1.09 -1.26 -2.73 121.20 115.51 3fy1 s ILE 281 Ca 0.54 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 3fy1 s ILE 281 Cb -0.02 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 3fy1 s ILE 281 CO 0.36 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.72 3fy1 n GLY 282 N 3.75 0.72 3.77 6.18 0.00 -0.40 -4.97 105.19 114.23 3fy1 n GLY 282 Ca 0.14 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3fy1 n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy1 s ALA 283 N -2.00 3.37 0.30 4.61 0.00 -1.11 -4.57 121.76 122.36 3fy1 s ALA 283 Ca 0.00 1.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.71 3fy1 s ALA 283 Cb 0.00 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 3fy1 s ALA 283 CO 0.00 -0.44 1.58 -2.14 0.00 0.00 0.00 175.76 174.76 3fy1 s PRO 284 N -1.81 4.12 0.19 0.00 0.02 -1.26 -0.61 135.00 135.66 3fy1 s PRO 284 Ca 0.50 2.57 0.09 0.00 0.02 0.00 0.00 61.00 64.18 3fy1 s PRO 284 Cb -0.34 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 3fy1 s PRO 284 CO 0.45 -0.62 -0.18 0.95 -0.33 0.00 0.00 177.00 177.26 3fy1 s THR 285 N -0.08 1.96 -1.10 0.99 -4.23 -0.57 -0.69 115.64 111.92 3fy1 s THR 285 Ca 0.62 -2.07 0.13 0.00 -1.18 0.00 0.00 61.69 59.20 3fy1 s THR 285 Cb -0.48 -1.99 -0.02 0.00 1.34 0.00 0.00 72.50 71.36 3fy1 s THR 285 CO 0.49 -0.36 0.71 -1.54 -0.54 0.00 0.00 174.62 173.37 3fy1 n SER 286 N 0.01 1.29 0.00 3.99 3.41 0.27 -4.64 113.62 117.95 3fy1 n SER 286 Ca -0.11 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 3fy1 n SER 286 Cb 0.58 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 3fy1 n SER 286 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fy1 n GLY 287 N 1.06 -2.19 3.76 5.00 0.00 -1.25 -4.99 105.19 106.58 3fy1 n GLY 287 Ca 0.05 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 3fy1 n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy1 s ALA 288 N -1.63 2.90 0.93 4.61 0.00 -1.26 -0.78 121.76 126.54 3fy1 s ALA 288 Ca 0.00 1.09 -0.14 0.00 0.00 0.00 0.00 51.96 52.91 3fy1 s ALA 288 Cb 0.00 -3.46 0.16 0.00 0.00 0.00 0.00 23.12 19.82 3fy1 s ALA 288 CO 0.00 -0.96 1.20 0.20 0.00 0.00 0.00 175.76 176.21 3fy1 s GLY 289 N -1.21 1.64 0.39 0.00 0.00 -0.60 -4.24 107.32 103.31 3fy1 s GLY 289 Ca 0.67 -0.81 -0.27 0.00 0.00 0.00 0.00 44.72 44.31 3fy1 s GLY 289 CO 0.40 -0.17 1.35 -4.14 0.00 0.00 0.00 173.10 170.53 3fy1 s PRO 290 N -5.56 4.07 0.55 2.90 0.02 -1.26 -1.37 135.00 134.34 3fy1 s PRO 290 Ca 0.67 2.27 -0.20 0.00 0.02 0.00 0.00 61.00 63.76 3fy1 s PRO 290 Cb -0.10 -2.87 -0.06 0.00 0.02 0.00 0.00 34.50 31.50 3fy1 s PRO 290 CO 0.52 -0.45 1.06 0.00 -0.33 0.00 0.00 177.00 177.80 3fy1 n ALA 291 N 0.33 0.49 -1.75 -1.55 0.00 -1.26 -4.31 120.51 112.46 3fy1 n ALA 291 Ca 0.02 0.08 -0.32 0.00 0.00 0.00 0.00 53.44 53.22 3fy1 n ALA 291 Cb 0.42 -2.16 -0.00 0.00 0.00 0.00 0.00 19.45 17.71 3fy1 n ALA 291 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3fy1 s GLY 292 N -1.07 1.97 0.19 0.00 0.00 -1.25 -4.87 107.32 102.28 3fy1 s GLY 292 Ca 0.72 0.19 0.23 0.00 0.00 0.00 0.00 44.72 45.86 3fy1 s GLY 292 CO 0.49 0.49 1.69 -1.55 0.00 0.00 0.00 173.10 174.22 3fy1 n PRO 293 N -2.13 0.16 -0.06 2.90 -0.04 -1.26 -1.58 135.00 132.99 3fy1 n PRO 293 Ca 0.07 0.33 -0.11 0.00 -0.04 0.00 0.00 63.50 63.75 3fy1 n PRO 293 Cb 0.54 -1.77 -0.04 0.00 -0.04 0.00 0.00 33.50 32.19 3fy1 n PRO 293 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3fy1 n TYR 294 N -2.06 0.00 0.12 0.54 4.02 -1.26 -4.72 117.16 113.79 3fy1 n TYR 294 Ca 0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.92 3fy1 n TYR 294 Cb 0.26 -0.47 0.03 0.00 -0.02 0.00 0.00 39.34 39.15 3fy1 n TYR 294 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fy1 h ALA 295 N -0.69 0.64 -5.64 -0.72 0.00 -1.96 -3.39 119.26 107.50 3fy1 h ALA 295 Ca -0.17 -0.59 -0.42 0.00 0.00 0.00 0.00 54.91 53.73 3fy1 h ALA 295 Cb 0.95 -0.10 0.07 0.00 0.00 0.00 0.00 17.79 18.71 3fy1 h ALA 295 CO -0.11 0.81 -0.68 1.63 0.00 0.00 0.00 179.25 180.91 3fy1 n LYS 296 N -3.35 -6.58 -3.75 0.00 5.02 -0.62 -4.94 118.16 103.94 3fy1 n LYS 296 Ca 0.01 0.78 -0.38 0.00 -2.02 0.00 0.00 58.31 56.70 3fy1 n LYS 296 Cb 0.76 -5.75 -0.12 0.00 -0.02 0.00 0.00 35.03 29.90 3fy1 n LYS 296 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3fy1 s GLU 297 N -6.24 2.90 0.13 1.97 2.02 -1.26 -4.83 118.70 113.38 3fy1 s GLU 297 Ca 0.54 -0.99 -0.35 0.00 0.02 0.00 0.00 54.97 54.19 3fy1 s GLU 297 Cb -0.25 -3.41 -0.16 0.00 0.10 0.00 0.00 34.13 30.41 3fy1 s GLU 297 CO 0.66 -0.53 1.34 0.45 0.02 0.00 0.00 175.26 177.20 3fy1 n SER 298 N 4.85 1.86 -0.01 -0.19 2.88 -1.26 -1.71 113.62 120.04 3fy1 n SER 298 Ca -0.14 1.12 -0.00 0.00 -1.33 0.00 0.00 58.87 58.52 3fy1 n SER 298 Cb 0.47 -1.25 -0.00 0.00 -0.75 0.00 0.00 64.21 62.68 3fy1 n SER 298 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fy1 n GLY 299 N 2.52 0.22 2.92 0.46 0.00 -0.47 -4.90 105.19 105.94 3fy1 n GLY 299 Ca 0.17 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 3fy1 n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fy1 s ILE 300 N -1.43 0.51 -0.09 -0.61 -1.09 -0.69 -1.65 121.20 116.15 3fy1 s ILE 300 Ca 0.00 -0.16 0.03 0.00 -2.23 0.00 0.00 60.65 58.29 3fy1 s ILE 300 Cb 0.00 -0.51 0.00 0.00 -1.58 0.00 0.00 42.46 40.37 3fy1 s ILE 300 CO 0.00 0.20 -0.20 0.26 -1.23 0.00 0.00 174.94 173.97 3fy1 s TRP 301 N 0.58 2.17 0.77 3.97 0.51 -0.67 -3.81 118.94 122.47 3fy1 s TRP 301 Ca -0.08 -0.87 -0.14 0.00 -2.12 0.00 0.00 56.10 52.89 3fy1 s TRP 301 Cb -0.11 -1.49 0.06 0.00 -0.81 0.00 0.00 33.47 31.13 3fy1 s TRP 301 CO 0.00 -0.37 1.23 0.00 -0.51 0.00 0.00 176.95 177.30 3fy1 s ALA 302 N 0.47 1.95 0.25 0.98 0.00 -1.26 -0.38 121.76 123.75 3fy1 s ALA 302 Ca -0.17 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 52.69 3fy1 s ALA 302 Cb -0.17 -3.51 0.48 0.00 0.00 0.00 0.00 23.12 19.91 3fy1 s ALA 302 CO 0.07 -2.16 1.73 -0.92 0.00 0.00 0.00 175.76 174.48 3fy1 h TYR 303 N -0.59 0.56 -0.15 0.00 3.20 -0.58 -0.22 116.97 119.19 3fy1 h TYR 303 Ca -0.47 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.36 3fy1 h TYR 303 Cb 1.31 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 3fy1 h TYR 303 CO 0.45 0.08 -0.25 0.10 -1.64 0.00 0.00 178.16 176.90 3fy1 h TYR 304 N 0.47 0.29 -0.44 -3.82 -0.00 -1.84 -0.50 116.97 111.12 3fy1 h TYR 304 Ca 0.43 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.73 59.03 3fy1 h TYR 304 Cb 0.64 -0.07 -0.02 0.00 -0.00 0.00 0.00 36.73 37.28 3fy1 h TYR 304 CO -0.15 0.50 -0.02 0.93 -0.00 0.00 0.00 178.16 179.42 3fy1 h GLU 305 N 0.24 0.73 -0.45 0.10 5.08 -1.48 -2.71 114.58 116.08 3fy1 h GLU 305 Ca 0.04 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 3fy1 h GLU 305 Cb 0.58 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3fy1 h GLU 305 CO 0.04 0.76 -0.13 0.82 -1.00 0.00 0.00 179.01 179.50 3fy1 h ILE 306 N 0.69 1.26 -0.85 3.13 2.04 -0.05 -2.76 117.51 120.97 3fy1 h ILE 306 Ca 0.13 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 64.80 3fy1 h ILE 306 Cb 0.45 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3fy1 h ILE 306 CO 0.02 0.42 0.56 0.00 0.00 0.00 0.00 178.15 179.15 3fy1 h THR 308 N 1.09 1.12 -0.60 0.00 2.02 -1.28 -0.25 112.91 115.01 3fy1 h THR 308 Ca 0.33 -0.25 0.08 0.00 0.77 0.00 0.00 66.41 67.34 3fy1 h THR 308 Cb -0.02 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 66.82 3fy1 h THR 308 CO -0.09 0.12 0.26 0.15 0.37 0.00 0.00 175.52 176.33 3fy1 h PHE 309 N 0.59 0.46 -0.51 3.16 3.57 -1.02 0.09 116.94 123.28 3fy1 h PHE 309 Ca 0.16 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 3fy1 h PHE 309 Cb -0.05 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3fy1 h PHE 309 CO -0.04 0.16 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.10 3fy1 h LEU 310 N 0.47 0.91 -1.21 0.59 3.38 -0.90 -2.81 115.31 115.74 3fy1 h LEU 310 Ca 0.29 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3fy1 h LEU 310 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3fy1 h LEU 310 CO -0.26 1.01 0.29 0.11 0.09 0.00 0.00 178.44 179.68 3fy1 h LYS 311 N 0.78 0.84 -0.01 1.13 1.57 -0.57 -2.94 116.57 117.38 3fy1 h LYS 311 Ca 0.14 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3fy1 h LYS 311 Cb 0.57 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3fy1 h LYS 311 CO 0.03 0.65 0.00 0.09 -0.57 0.00 0.00 179.45 179.65 3fy1 n ASN 312 N -4.36 0.08 0.00 0.86 3.02 -0.03 -4.86 115.26 109.98 3fy1 n ASN 312 Ca 0.05 -1.66 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 3fy1 n ASN 312 Cb 0.13 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3fy1 n ASN 312 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fy1 n GLY 313 N 0.70 1.01 3.75 7.41 0.00 -1.11 -5.06 105.19 111.89 3fy1 n GLY 313 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3fy1 n GLY 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy1 s ALA 314 N -2.00 2.86 -0.08 4.61 0.00 -1.08 -4.96 121.76 121.11 3fy1 s ALA 314 Ca 0.00 1.35 -0.27 0.00 0.00 0.00 0.00 51.96 53.04 3fy1 s ALA 314 Cb 0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 3fy1 s ALA 314 CO 0.00 -1.36 0.89 0.99 0.00 0.00 0.00 175.76 176.28 3fy1 s THR 315 N -1.29 4.88 0.09 0.00 2.01 0.51 -4.82 115.64 117.03 3fy1 s THR 315 Ca 0.70 1.82 -0.30 0.00 0.31 0.00 0.00 61.69 64.23 3fy1 s THR 315 Cb -0.41 -4.22 -0.06 0.00 0.01 0.00 0.00 72.50 67.83 3fy1 s THR 315 CO 0.49 0.10 1.13 -1.58 -0.69 0.00 0.00 174.62 174.07 3fy1 s GLN 316 N 1.53 4.51 0.18 4.92 2.00 -1.26 -1.89 119.66 129.65 3fy1 s GLN 316 Ca 0.45 1.69 0.10 0.00 -2.00 0.00 0.00 55.36 55.59 3fy1 s GLN 316 Cb -0.18 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.24 3fy1 s GLN 316 CO 0.19 -0.11 -0.17 0.20 -0.50 0.00 0.00 175.29 174.91 3fy1 s GLY 317 N 0.65 1.71 -0.13 2.59 0.00 0.22 -4.97 107.32 107.39 3fy1 s GLY 317 Ca 0.54 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.74 3fy1 s GLY 317 CO 0.31 -1.55 -0.12 0.86 0.00 0.00 0.00 173.10 172.60 3fy1 s TRP 318 N -1.61 1.91 -0.97 1.90 -0.11 -1.26 -1.50 118.94 117.29 3fy1 s TRP 318 Ca 0.22 -1.00 -0.20 0.00 1.22 0.00 0.00 56.10 56.35 3fy1 s TRP 318 Cb -0.09 -1.44 0.11 0.00 -1.50 0.00 0.00 33.47 30.56 3fy1 s TRP 318 CO 0.12 -0.57 1.23 0.34 -4.62 0.00 0.00 176.95 173.45 3fy1 s ASP 319 N 1.41 6.62 0.13 5.86 3.68 0.21 -4.92 116.67 129.66 3fy1 s ASP 319 Ca 0.02 -1.95 -0.18 0.00 2.13 0.00 0.00 52.55 52.57 3fy1 s ASP 319 Cb -0.13 -2.44 -0.03 0.00 -1.45 0.00 0.00 42.92 38.86 3fy1 s ASP 319 CO -0.07 -1.16 1.78 0.00 0.13 0.00 0.00 175.17 175.84 3fy1 h ALA 320 N 8.98 0.32 -0.22 3.66 0.00 -1.97 0.69 119.26 130.71 3fy1 h ALA 320 Ca 0.18 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3fy1 h ALA 320 Cb 1.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3fy1 h ALA 320 CO 1.20 -0.23 0.15 -1.35 0.00 0.00 0.00 179.25 179.02 3fy1 h PRO 321 N 0.31 0.19 -0.01 0.00 0.11 -1.91 -2.93 132.00 127.76 3fy1 h PRO 321 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3fy1 h PRO 321 Cb -0.01 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3fy1 h PRO 321 CO -0.05 0.13 -0.52 1.04 -0.21 0.00 0.00 178.00 178.39 3fy1 n GLN 322 N -4.50 1.31 -3.56 1.05 6.02 -0.97 -4.44 117.38 112.30 3fy1 n GLN 322 Ca 0.01 -0.70 -0.24 0.00 -0.01 0.00 0.00 57.00 56.07 3fy1 n GLN 322 Cb 0.15 -1.38 0.08 0.00 1.02 0.00 0.00 30.24 30.11 3fy1 n GLN 322 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3fy1 n GLU 323 N -0.39 -7.76 -3.98 -1.09 -0.58 0.20 -1.33 120.64 105.70 3fy1 n GLU 323 Ca 0.07 0.83 -0.09 0.00 -0.42 0.00 0.00 57.16 57.54 3fy1 n GLU 323 Cb 0.38 -5.85 -0.11 0.00 -0.57 0.00 0.00 31.44 25.29 3fy1 n GLU 323 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3fy1 s VAL 324 N -3.31 0.13 0.60 2.62 -7.23 -1.12 -4.50 120.40 107.57 3fy1 s VAL 324 Ca 0.57 -0.91 -0.10 0.00 -1.81 0.00 0.00 61.98 59.73 3fy1 s VAL 324 Cb -0.25 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.39 3fy1 s VAL 324 CO 0.70 -0.49 0.98 -2.16 -0.31 0.00 0.00 175.10 173.82 3fy1 s PRO 325 N -1.46 3.49 0.19 4.82 0.04 -1.25 -0.62 135.00 140.22 3fy1 s PRO 325 Ca -0.16 0.57 -0.06 0.00 0.04 0.00 0.00 61.00 61.40 3fy1 s PRO 325 Cb -0.10 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 3fy1 s PRO 325 CO -0.01 -0.54 0.23 1.52 0.04 0.00 0.00 177.00 178.25 3fy1 s TYR 326 N -3.09 0.75 -0.00 0.56 -0.85 -0.56 -2.82 117.35 111.34 3fy1 s TYR 326 Ca 0.54 -1.06 -0.16 0.00 -0.52 0.00 0.00 57.07 55.86 3fy1 s TYR 326 Cb -0.11 -0.26 0.03 0.00 0.38 0.00 0.00 41.96 42.00 3fy1 s TYR 326 CO 0.51 -0.72 0.35 0.00 -1.52 0.00 0.00 175.55 174.17 3fy1 s ALA 327 N -4.07 -0.87 -0.00 9.51 0.00 -0.34 0.69 121.76 126.68 3fy1 s ALA 327 Ca 0.28 0.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.47 3fy1 s ALA 327 Cb 0.04 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.31 3fy1 s ALA 327 CO 0.07 -0.31 0.29 1.52 0.00 0.00 0.00 175.76 177.33 3fy1 s TYR 328 N -1.59 -0.14 -0.26 0.00 1.13 -0.79 -0.55 117.35 115.16 3fy1 s TYR 328 Ca -0.11 0.17 -0.15 0.00 -1.41 0.00 0.00 57.07 55.57 3fy1 s TYR 328 Cb -0.04 0.08 0.08 0.00 -1.10 0.00 0.00 41.96 40.97 3fy1 s TYR 328 CO 0.03 -0.39 0.64 -1.14 -2.51 0.00 0.00 175.55 172.18 3fy1 s GLN 329 N -1.49 0.65 6.29 -3.49 0.74 -0.41 -0.36 119.66 121.60 3fy1 s GLN 329 Ca -0.13 1.15 0.00 0.00 0.05 0.00 0.00 55.36 56.43 3fy1 s GLN 329 Cb -0.05 0.11 0.00 0.00 1.10 0.00 0.00 33.01 34.17 3fy1 s GLN 329 CO 0.03 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.03 3fy1 n GLY 330 N 4.31 3.78 1.59 2.59 0.00 -1.26 -1.31 105.19 114.89 3fy1 n GLY 330 Ca -0.21 0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.95 3fy1 n GLY 330 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fy1 n ASN 331 N 6.63 4.51 -4.38 1.61 6.94 -1.26 -4.60 115.26 124.71 3fy1 n ASN 331 Ca 0.00 -3.17 -0.33 0.00 -0.02 0.00 0.00 54.58 51.06 3fy1 n ASN 331 Cb 0.00 -0.67 -0.14 0.00 -2.36 0.00 0.00 39.78 36.61 3fy1 n ASN 331 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3fy1 s VAL 332 N -2.94 3.00 -0.03 3.53 1.01 -0.43 -0.20 120.40 124.34 3fy1 s VAL 332 Ca 0.51 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3fy1 s VAL 332 Cb 0.41 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.55 3fy1 s VAL 332 CO 0.11 0.54 -0.09 0.86 0.00 0.00 0.00 175.10 176.52 3fy1 s TRP 333 N 0.16 0.93 -0.06 5.22 -0.00 -0.78 -1.28 118.94 123.13 3fy1 s TRP 333 Ca -0.08 -0.23 0.02 0.00 -0.00 0.00 0.00 56.10 55.81 3fy1 s TRP 333 Cb -0.15 -0.67 0.01 0.00 -0.00 0.00 0.00 33.47 32.66 3fy1 s TRP 333 CO 0.05 -0.11 -0.11 0.54 -0.00 0.00 0.00 176.95 177.32 3fy1 s VAL 334 N 0.24 1.05 -0.17 5.86 0.11 0.29 -0.13 120.40 127.65 3fy1 s VAL 334 Ca -0.04 -0.45 -0.07 0.00 -2.93 0.00 0.00 61.98 58.50 3fy1 s VAL 334 Cb -0.09 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 3fy1 s VAL 334 CO 0.00 0.33 0.05 -0.83 -3.33 0.00 0.00 175.10 171.33 3fy1 s GLY 335 N 0.58 1.90 0.00 6.54 0.00 -0.54 -1.19 107.32 114.61 3fy1 s GLY 335 Ca -0.12 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.85 3fy1 s GLY 335 CO 0.03 -0.02 0.00 1.58 0.00 0.00 0.00 173.10 174.69 3fy1 n TYR 336 N 3.34 -0.79 -4.58 1.90 4.11 -1.13 -1.66 117.16 118.35 3fy1 n TYR 336 Ca -0.17 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.50 3fy1 n TYR 336 Cb 0.52 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.72 3fy1 n TYR 336 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3fy1 s ASP 337 N -0.68 2.10 0.00 9.48 1.11 -1.26 -3.74 116.67 123.69 3fy1 s ASP 337 Ca 0.00 -0.46 0.00 0.00 0.18 0.00 0.00 52.55 52.27 3fy1 s ASP 337 Cb 0.00 -0.18 0.00 0.00 1.07 0.00 0.00 42.92 43.81 3fy1 s ASP 337 CO 0.00 0.13 0.00 -0.46 1.18 0.00 0.00 175.17 176.02 3fy1 n ASN 338 N 2.03 1.09 -0.17 0.27 0.23 -1.26 -4.90 115.26 112.55 3fy1 n ASN 338 Ca -0.17 -0.98 -0.05 0.00 -0.53 0.00 0.00 54.58 52.85 3fy1 n ASN 338 Cb 0.54 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.29 3fy1 n ASN 338 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3fy1 h VAL 339 N 0.98 1.01 -0.04 3.53 2.07 -1.95 -0.87 116.25 120.98 3fy1 h VAL 339 Ca 0.00 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.34 3fy1 h VAL 339 Cb 0.00 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3fy1 h VAL 339 CO 0.00 0.10 -0.07 0.50 0.02 0.00 0.00 177.57 178.12 3fy1 h LYS 340 N 0.57 -0.10 -0.36 1.57 3.64 -1.98 -0.69 116.57 119.22 3fy1 h LYS 340 Ca 0.22 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.46 3fy1 h LYS 340 Cb 0.07 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3fy1 h LYS 340 CO -0.12 -0.06 -0.36 0.66 -2.27 0.00 0.00 179.45 177.29 3fy1 h SER 341 N -0.10 0.87 -0.83 4.20 4.64 -1.75 -1.66 113.55 118.92 3fy1 h SER 341 Ca 0.04 -0.38 0.02 0.00 -0.47 0.00 0.00 61.79 61.00 3fy1 h SER 341 Cb 0.16 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 61.96 3fy1 h SER 341 CO -0.10 1.14 0.54 -0.26 -0.87 0.00 0.00 176.83 177.28 3fy1 h PHE 342 N 0.69 1.02 -0.33 4.77 -1.00 -1.03 -1.26 116.94 119.80 3fy1 h PHE 342 Ca 0.06 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 3fy1 h PHE 342 Cb 0.92 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 3fy1 h PHE 342 CO 0.05 0.62 0.03 0.22 -1.61 0.00 0.00 178.31 177.62 3fy1 h ASP 343 N 1.08 0.54 -0.43 2.17 3.58 -0.83 -0.43 116.42 122.11 3fy1 h ASP 343 Ca 0.32 -0.28 0.02 0.00 0.42 0.00 0.00 57.03 57.51 3fy1 h ASP 343 Cb -0.06 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 3fy1 h ASP 343 CO -0.09 0.69 0.24 0.40 -2.88 0.00 0.00 179.24 177.61 3fy1 h ILE 344 N 0.38 1.02 -0.64 2.25 2.04 -1.16 -1.62 117.51 119.78 3fy1 h ILE 344 Ca 0.10 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 3fy1 h ILE 344 Cb 0.40 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3fy1 h ILE 344 CO 0.01 0.09 0.09 0.11 0.00 0.00 0.00 178.15 178.45 3fy1 h LYS 345 N 0.49 1.06 -0.49 2.37 1.57 -1.13 -1.88 116.57 118.56 3fy1 h LYS 345 Ca 0.17 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3fy1 h LYS 345 Cb 0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3fy1 h LYS 345 CO -0.09 0.98 0.31 0.00 -0.57 0.00 0.00 179.45 180.08 3fy1 h ALA 346 N 1.09 0.63 -0.59 3.86 0.00 -0.76 0.94 119.26 124.43 3fy1 h ALA 346 Ca 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3fy1 h ALA 346 Cb 0.44 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3fy1 h ALA 346 CO 0.01 0.03 0.29 1.96 0.00 0.00 0.00 179.25 181.55 3fy1 h GLN 347 N 0.63 0.85 -0.61 0.00 1.08 -1.08 -1.95 115.11 114.03 3fy1 h GLN 347 Ca 0.19 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 57.28 3fy1 h GLN 347 Cb -0.03 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.21 3fy1 h GLN 347 CO -0.06 0.68 0.40 2.35 -0.95 0.00 0.00 178.83 181.24 3fy1 h TRP 348 N 0.81 0.75 -0.44 2.96 7.01 -1.04 -1.95 115.95 124.05 3fy1 h TRP 348 Ca 0.21 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.26 3fy1 h TRP 348 Cb 0.10 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.87 3fy1 h TRP 348 CO -0.00 0.46 0.22 1.25 -2.79 0.00 0.00 178.44 177.58 3fy1 h LEU 349 N 0.80 0.32 -0.29 0.65 6.46 -0.41 -1.82 115.31 121.02 3fy1 h LEU 349 Ca 0.23 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.99 3fy1 h LEU 349 Cb -0.06 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 3fy1 h LEU 349 CO -0.06 0.23 0.11 0.11 -0.62 0.00 0.00 178.44 178.21 3fy1 h LYS 350 N 0.44 0.44 -0.85 1.25 1.57 -1.13 -1.24 116.57 117.05 3fy1 h LYS 350 Ca 0.19 -0.08 0.18 0.00 -1.87 0.00 0.00 60.65 59.06 3fy1 h LYS 350 Cb 0.09 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 3fy1 h LYS 350 CO -0.13 0.47 0.56 0.45 -0.57 0.00 0.00 179.45 180.23 3fy1 h HIS 351 N 0.32 0.55 -0.02 -1.35 3.86 -1.05 -1.12 115.15 116.35 3fy1 h HIS 351 Ca 0.10 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3fy1 h HIS 351 Cb 0.19 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3fy1 h HIS 351 CO -0.00 0.18 -0.08 0.09 0.86 0.00 0.00 177.93 178.97 3fy1 n ASN 352 N -4.50 1.81 -3.29 2.45 3.02 -0.71 -4.97 115.26 109.07 3fy1 n ASN 352 Ca 0.17 -1.51 -0.23 0.00 -0.03 0.00 0.00 54.58 52.98 3fy1 n ASN 352 Cb 0.61 0.06 0.05 0.00 -0.61 0.00 0.00 39.78 39.89 3fy1 n ASN 352 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3fy1 n LYS 353 N 0.29 -6.23 -1.52 3.52 5.02 -0.42 -5.00 118.16 113.83 3fy1 n LYS 353 Ca 0.16 0.87 -0.29 0.00 -2.02 0.00 0.00 58.31 57.03 3fy1 n LYS 353 Cb 0.42 -5.82 0.13 0.00 -0.02 0.00 0.00 35.03 29.75 3fy1 n LYS 353 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3fy1 s PHE 354 N -3.24 2.51 0.07 2.13 2.99 -1.14 -4.02 117.98 117.28 3fy1 s PHE 354 Ca 0.43 0.88 0.32 0.00 0.00 0.00 0.00 56.93 58.56 3fy1 s PHE 354 Cb -0.19 -3.36 1.23 0.00 0.00 0.00 0.00 43.02 40.70 3fy1 s PHE 354 CO 0.54 -2.35 1.94 0.78 -0.00 0.00 0.00 175.22 176.12 3fy1 h GLY 355 N -1.49 0.00 0.00 4.36 0.00 -0.29 -3.45 103.07 102.20 3fy1 h GLY 355 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3fy1 h GLY 355 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.77 3fy1 n GLY 356 N 0.13 0.36 3.20 4.60 0.00 -1.24 -1.16 105.19 111.08 3fy1 n GLY 356 Ca 0.01 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 3fy1 n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy1 s ALA 357 N -1.00 1.44 0.19 4.61 0.00 -0.23 -1.36 121.76 125.41 3fy1 s ALA 357 Ca 0.00 -1.00 0.11 0.00 0.00 0.00 0.00 51.96 51.07 3fy1 s ALA 357 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 3fy1 s ALA 357 CO 0.00 0.28 -0.23 0.00 0.00 0.00 0.00 175.76 175.81 3fy1 s MET 358 N -1.41 1.50 -0.10 0.00 0.23 0.31 -0.52 119.30 119.32 3fy1 s MET 358 Ca 0.03 -1.52 0.00 0.00 -1.03 0.00 0.00 55.69 53.17 3fy1 s MET 358 Cb -0.09 -1.79 0.02 0.00 -1.53 0.00 0.00 34.83 31.44 3fy1 s MET 358 CO 0.02 0.39 -0.08 0.08 -2.03 0.00 0.00 175.02 173.39 3fy1 s VAL 359 N -1.73 1.00 -0.31 5.16 1.01 0.92 -0.31 120.40 126.14 3fy1 s VAL 359 Ca 0.20 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 3fy1 s VAL 359 Cb -0.08 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.35 3fy1 s VAL 359 CO 0.10 0.35 0.03 0.86 0.00 0.00 0.00 175.10 176.44 3fy1 s TRP 360 N 1.41 3.25 0.12 5.22 -0.11 -0.32 -1.31 118.94 127.20 3fy1 s TRP 360 Ca -0.01 -1.70 0.01 0.00 1.22 0.00 0.00 56.10 55.62 3fy1 s TRP 360 Cb -0.13 -2.16 -0.04 0.00 -1.50 0.00 0.00 33.47 29.63 3fy1 s TRP 360 CO -0.05 -0.77 -0.02 0.00 -4.62 0.00 0.00 176.95 171.49 3fy1 s ALA 361 N 1.31 0.98 0.34 5.86 0.00 -1.26 -1.03 121.76 127.96 3fy1 s ALA 361 Ca -0.04 -1.41 0.05 0.00 0.00 0.00 0.00 51.96 50.56 3fy1 s ALA 361 Cb -0.19 0.40 0.70 0.00 0.00 0.00 0.00 23.12 24.03 3fy1 s ALA 361 CO 0.00 -0.32 1.93 0.97 0.00 0.00 0.00 175.76 178.34 3fy1 h ILE 362 N 2.91 1.00 0.00 0.00 2.10 -1.07 -1.43 117.51 121.02 3fy1 h ILE 362 Ca -0.35 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.31 3fy1 h ILE 362 Cb 1.18 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.02 3fy1 h ILE 362 CO 0.63 0.15 0.00 -0.90 -1.08 0.00 0.00 178.15 176.95 3fy1 n ASP 363 N -4.50 0.00 -0.01 2.19 5.68 -1.26 -2.95 116.55 115.71 3fy1 n ASP 363 Ca 0.13 -0.08 0.10 0.00 -0.50 0.00 0.00 54.79 54.44 3fy1 n ASP 363 Cb 0.26 -0.29 -0.14 0.00 -1.14 0.00 0.00 41.12 39.81 3fy1 n ASP 363 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3fy1 n LEU 364 N -1.29 0.42 -4.73 -2.12 4.77 -0.55 -4.91 117.00 108.59 3fy1 n LEU 364 Ca 0.12 -0.22 -0.31 0.00 -0.03 0.00 0.00 56.01 55.58 3fy1 n LEU 364 Cb 0.21 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.42 3fy1 n LEU 364 CO 0.20 0.10 0.68 -0.62 -1.33 0.00 0.00 177.39 176.43 3fy1 s ASP 365 N -3.74 3.85 -1.25 -1.43 -1.08 -1.15 -2.22 116.67 109.65 3fy1 s ASP 365 Ca -0.01 1.82 -0.18 0.00 -0.52 0.00 0.00 52.55 53.66 3fy1 s ASP 365 Cb 0.14 -2.45 -0.00 0.00 -1.46 0.00 0.00 42.92 39.15 3fy1 s ASP 365 CO 0.85 -2.45 1.96 -0.67 0.52 0.00 0.00 175.17 175.39 3fy1 n ASP 366 N -3.79 3.90 -0.03 -0.34 2.03 -1.26 -4.72 116.55 112.34 3fy1 n ASP 366 Ca 0.09 -2.82 -0.02 0.00 0.52 0.00 0.00 54.79 52.56 3fy1 n ASP 366 Cb 0.53 -1.61 0.24 0.00 -0.72 0.00 0.00 41.12 39.56 3fy1 n ASP 366 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3fy1 h PHE 367 N 7.42 0.63 0.00 -0.67 -0.00 -1.90 -1.41 116.94 121.00 3fy1 h PHE 367 Ca 0.45 -0.08 -0.11 0.00 -0.00 0.00 0.00 57.97 58.24 3fy1 h PHE 367 Cb 0.77 -0.18 -0.02 0.00 -0.00 0.00 0.00 35.95 36.53 3fy1 h PHE 367 CO 1.38 0.63 -0.50 1.79 -0.00 0.00 0.00 178.31 181.60 3fy1 h THR 368 N 0.57 1.00 0.00 0.88 1.35 -1.92 -3.35 112.91 111.44 3fy1 h THR 368 Ca 0.11 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 3fy1 h THR 368 Cb 0.41 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3fy1 h THR 368 CO 0.02 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3fy1 n GLY 369 N 0.70 0.90 0.12 5.82 0.00 -0.88 -4.75 105.19 107.10 3fy1 n GLY 369 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3fy1 n GLY 369 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fy1 h THR 370 N 0.00 0.00 0.14 2.61 1.35 -1.89 -3.11 112.91 112.01 3fy1 h THR 370 Ca 0.00 -0.82 -0.35 0.00 -0.55 0.00 0.00 66.41 64.69 3fy1 h THR 370 Cb 0.00 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 3fy1 h THR 370 CO 0.00 0.00 -1.87 -0.26 -0.25 0.00 0.00 175.52 173.14 3fy1 h PHE 371 N 0.00 0.53 0.00 4.73 -1.00 -1.91 -3.41 116.94 115.88 3fy1 h PHE 371 Ca 0.00 -0.39 0.00 0.00 2.81 0.00 0.00 57.97 60.39 3fy1 h PHE 371 Cb 0.91 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.45 3fy1 h PHE 371 CO 0.00 1.74 -1.56 0.00 -1.61 0.00 0.00 178.31 176.88 3fy1 n ASN 373 N -1.94 -5.28 -0.09 0.00 3.02 -1.17 -4.90 115.26 104.89 3fy1 n ASN 373 Ca -0.02 -0.65 0.05 0.00 -0.03 0.00 0.00 54.58 53.93 3fy1 n ASN 373 Cb 0.40 -4.54 0.07 0.00 -0.61 0.00 0.00 39.78 35.11 3fy1 n ASN 373 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fy1 n GLN 374 N -4.80 1.55 0.00 3.52 6.02 -1.26 -5.11 117.38 117.29 3fy1 n GLN 374 Ca -0.01 -1.95 0.00 0.00 -0.01 0.00 0.00 57.00 55.03 3fy1 n GLN 374 Cb 0.56 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.64 3fy1 n GLN 374 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fy1 n GLY 375 N -0.91 -0.02 3.77 1.08 0.00 -1.26 -4.62 105.19 103.22 3fy1 n GLY 375 Ca 0.09 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 3fy1 n GLY 375 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fy1 s LYS 376 N -2.02 4.41 -1.22 1.61 1.02 -1.26 -3.69 119.74 118.59 3fy1 s LYS 376 Ca 0.00 1.78 -0.25 0.00 0.02 0.00 0.00 55.97 57.52 3fy1 s LYS 376 Cb 0.00 -2.95 0.02 0.00 -0.52 0.00 0.00 37.83 34.38 3fy1 s LYS 376 CO 0.00 0.01 0.66 1.19 -0.92 0.00 0.00 175.35 176.29 3fy1 n PHE 377 N 0.68 -1.60 -0.30 3.18 3.72 -0.59 -4.78 117.46 117.78 3fy1 n PHE 377 Ca 0.01 0.30 -0.06 0.00 -0.05 0.00 0.00 57.45 57.65 3fy1 n PHE 377 Cb 0.46 -3.11 0.07 0.00 -0.94 0.00 0.00 39.48 35.96 3fy1 n PHE 377 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3fy1 h PRO 378 N -2.25 1.19 -0.09 -1.08 0.13 -1.74 0.17 132.00 128.34 3fy1 h PRO 378 Ca -0.69 -0.20 -0.02 0.00 -0.87 0.00 0.00 66.00 64.22 3fy1 h PRO 378 Cb 1.39 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3fy1 h PRO 378 CO 0.52 0.94 -0.02 -0.07 -0.23 0.00 0.00 178.00 179.14 3fy1 h LEU 379 N 1.16 0.17 -0.61 1.56 3.38 -1.93 -1.91 115.31 117.13 3fy1 h LEU 379 Ca 0.27 -0.38 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 3fy1 h LEU 379 Cb 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3fy1 h LEU 379 CO -0.03 0.51 -0.40 0.40 0.09 0.00 0.00 178.44 179.01 3fy1 h ILE 380 N -0.17 1.29 -0.62 1.22 2.04 -1.92 -2.70 117.51 116.66 3fy1 h ILE 380 Ca 0.02 -1.57 0.01 0.00 1.00 0.00 0.00 64.86 64.32 3fy1 h ILE 380 Cb 0.44 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 3fy1 h ILE 380 CO 0.01 0.50 0.41 0.28 0.00 0.00 0.00 178.15 179.35 3fy1 h SER 381 N 0.52 0.69 -0.84 1.72 0.02 -0.96 -0.28 113.55 114.42 3fy1 h SER 381 Ca 0.04 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3fy1 h SER 381 Cb 0.92 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 3fy1 h SER 381 CO 0.08 0.50 0.54 0.74 -1.14 0.00 0.00 176.83 177.55 3fy1 h THR 382 N 0.81 1.22 -0.23 -2.27 2.02 -1.01 -1.68 112.91 111.77 3fy1 h THR 382 Ca 0.23 -0.43 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 3fy1 h THR 382 Cb -0.06 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.35 3fy1 h THR 382 CO -0.05 0.22 -0.37 -0.07 0.37 0.00 0.00 175.52 175.62 3fy1 h LEU 383 N 1.15 0.73 -0.60 2.58 3.38 -1.19 -1.71 115.31 119.65 3fy1 h LEU 383 Ca 0.31 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.83 3fy1 h LEU 383 Cb -0.11 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.37 3fy1 h LEU 383 CO -0.06 1.11 0.27 0.50 0.09 0.00 0.00 178.44 180.34 3fy1 h LYS 384 N 0.36 0.48 0.05 1.13 3.64 -0.86 -0.11 116.57 121.27 3fy1 h LYS 384 Ca 0.02 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3fy1 h LYS 384 Cb 0.96 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3fy1 h LYS 384 CO 0.08 0.32 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.34 3fy1 h LYS 385 N 0.49 -0.06 -0.10 1.90 3.64 -1.29 -0.50 116.57 120.65 3fy1 h LYS 385 Ca 0.29 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.60 3fy1 h LYS 385 Cb 0.28 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3fy1 h LYS 385 CO -0.24 0.23 -0.27 0.00 -2.27 0.00 0.00 179.45 176.90 3fy1 h ALA 386 N 0.57 1.37 -0.38 5.00 0.00 -1.00 -2.58 119.26 122.24 3fy1 h ALA 386 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3fy1 h ALA 386 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3fy1 h ALA 386 CO 0.01 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.99 3fy1 n LEU 387 N -4.16 2.52 -0.89 0.00 4.77 -0.08 -4.91 117.00 114.24 3fy1 n LEU 387 Ca -0.01 -1.26 -0.08 0.00 -0.03 0.00 0.00 56.01 54.63 3fy1 n LEU 387 Cb 0.36 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3fy1 n LEU 387 CO 0.39 0.51 -0.10 0.61 -1.33 0.00 0.00 177.39 177.48 3fy1 n GLY 388 N 0.92 0.05 0.66 -0.72 0.00 -0.97 -4.51 105.19 100.62 3fy1 n GLY 388 Ca 0.14 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.67 3fy1 n GLY 388 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fy1 n LEU 389 N -1.12 2.57 -0.14 0.99 4.77 -0.20 -4.62 117.00 119.25 3fy1 n LEU 389 Ca -0.09 -1.42 0.02 0.00 -0.03 0.00 0.00 56.01 54.48 3fy1 n LEU 389 Cb 0.57 -0.12 0.30 0.00 -2.33 0.00 0.00 43.42 41.84 3fy1 n LEU 389 CO 0.11 0.56 1.20 1.56 -1.33 0.00 0.00 177.39 179.49 3fy1 h GLN 390 N 2.64 0.83 -0.31 3.23 1.08 -1.82 -1.62 115.11 119.14 3fy1 h GLN 390 Ca 0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3fy1 h GLN 390 Cb 0.67 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3fy1 h GLN 390 CO 0.00 0.56 0.00 -1.13 -0.95 0.00 0.00 178.83 177.31 3fy1 n SER 391 N -4.43 2.13 -4.71 1.46 3.41 -1.26 -4.97 113.62 105.25 3fy1 n SER 391 Ca 0.06 -1.87 -0.41 0.00 -0.26 0.00 0.00 58.87 56.39 3fy1 n SER 391 Cb 0.05 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 63.80 3fy1 n SER 391 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fy1 n ALA 392 N 0.64 1.41 -1.70 7.33 0.00 -0.61 -4.87 120.51 122.70 3fy1 n ALA 392 Ca 0.16 0.29 -0.43 0.00 0.00 0.00 0.00 53.44 53.46 3fy1 n ALA 392 Cb 0.37 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 3fy1 n ALA 392 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3fy1 n SER 393 N 0.35 3.81 -3.52 0.00 2.88 -1.26 -4.98 113.62 110.89 3fy1 n SER 393 Ca 0.06 1.05 -0.29 0.00 -1.33 0.00 0.00 58.87 58.35 3fy1 n SER 393 Cb 0.39 -1.53 -0.13 0.00 -0.75 0.00 0.00 64.21 62.19 3fy1 n SER 393 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fy1 s THR 395 N 1.03 0.03 0.54 0.00 2.01 -1.25 -4.96 115.64 113.03 3fy1 s THR 395 Ca 0.17 -0.22 -0.20 0.00 0.31 0.00 0.00 61.69 61.74 3fy1 s THR 395 Cb -0.23 -0.21 -0.07 0.00 0.01 0.00 0.00 72.50 72.01 3fy1 s THR 395 CO -0.03 -0.12 0.99 0.00 -0.69 0.00 0.00 174.62 174.77 3fy1 n ALA 396 N 2.59 0.23 -1.23 7.40 0.00 -1.22 -0.22 120.51 128.08 3fy1 n ALA 396 Ca -0.15 0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 3fy1 n ALA 396 Cb 0.58 -2.11 0.12 0.00 0.00 0.00 0.00 19.45 18.05 3fy1 n ALA 396 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fy1 s PRO 397 N -2.49 1.53 0.00 0.00 0.04 -1.26 -4.64 135.00 128.18 3fy1 s PRO 397 Ca 0.71 0.90 0.06 0.00 0.04 0.00 0.00 61.00 62.71 3fy1 s PRO 397 Cb -0.46 -1.83 0.36 0.00 0.04 0.00 0.00 34.50 32.61 3fy1 s PRO 397 CO 0.51 -2.07 0.83 0.00 0.04 0.00 0.00 177.00 176.31