#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyy s LYS 2 N 0.00 0.55 0.10 2.12 -2.85 -1.26 -4.19 119.74 114.21 3fyy s LYS 2 Ca 0.00 -0.76 -0.30 0.00 -1.00 0.00 0.00 55.97 53.91 3fyy s LYS 2 Cb 0.00 -0.35 -0.06 0.00 -2.06 0.00 0.00 37.83 35.35 3fyy s LYS 2 CO 0.00 0.07 1.20 0.42 0.10 0.00 0.00 175.35 177.13 3fyy s ILE 3 N -1.32 3.88 -0.00 3.79 1.01 -0.22 -1.45 121.20 126.89 3fyy s ILE 3 Ca -0.09 1.42 0.01 0.00 0.00 0.00 0.00 60.65 61.99 3fyy s ILE 3 Cb -0.10 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 3fyy s ILE 3 CO 0.01 0.15 0.02 0.35 0.00 0.00 0.00 174.94 175.46 3fyy n THR 4 N 3.47 0.01 -3.72 2.92 -2.24 -0.04 -0.39 114.28 114.30 3fyy n THR 4 Ca 0.07 -0.03 -0.07 0.00 -2.27 0.00 0.00 64.05 61.75 3fyy n THR 4 Cb 0.46 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.89 3fyy n THR 4 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fyy s ASP 5 N -2.30 -0.32 -0.03 3.42 2.15 -1.20 -4.94 116.67 113.46 3fyy s ASP 5 Ca -0.00 -0.39 -0.04 0.00 0.43 0.00 0.00 52.55 52.55 3fyy s ASP 5 Cb 0.01 0.62 0.01 0.00 -0.30 0.00 0.00 42.92 43.26 3fyy s ASP 5 CO 0.04 -1.12 0.11 -0.22 -0.17 0.00 0.00 175.17 173.82 3fyy s LEU 6 N -2.85 1.60 -0.03 -1.34 2.96 -1.26 -1.25 118.68 116.50 3fyy s LEU 6 Ca 0.09 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 3fyy s LEU 6 Cb -0.04 0.41 -0.00 0.00 0.50 0.00 0.00 46.19 47.06 3fyy s LEU 6 CO 0.00 -0.09 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.20 3fyy s GLU 7 N -0.19 1.32 -0.22 1.98 2.02 -0.29 -5.01 118.70 118.31 3fyy s GLU 7 Ca -0.03 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 54.52 3fyy s GLU 7 Cb -0.02 -1.20 0.05 0.00 0.10 0.00 0.00 34.13 33.06 3fyy s GLU 7 CO 0.00 0.20 -0.09 -0.51 0.02 0.00 0.00 175.26 174.88 3fyy s LEU 8 N 0.05 2.57 -0.35 1.80 1.43 -1.26 -1.92 118.68 120.99 3fyy s LEU 8 Ca -0.02 -1.06 -0.10 0.00 -1.03 0.00 0.00 54.13 51.92 3fyy s LEU 8 Cb -0.09 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.87 3fyy s LEU 8 CO 0.01 -0.18 0.18 -1.00 0.23 0.00 0.00 176.35 175.59 3fyy s HIS 9 N 1.34 3.23 0.00 0.29 3.76 -0.14 -4.93 115.29 118.84 3fyy s HIS 9 Ca -0.04 -0.95 -0.30 0.00 -0.15 0.00 0.00 55.06 53.62 3fyy s HIS 9 Cb -0.18 -2.40 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 3fyy s HIS 9 CO -0.07 -0.62 1.02 0.00 -0.85 0.00 0.00 174.74 174.22 3fyy s ALA 10 N 1.54 3.22 0.05 -1.40 0.00 -1.26 -0.33 121.76 123.58 3fyy s ALA 10 Ca 0.02 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.60 3fyy s ALA 10 Cb -0.19 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 3fyy s ALA 10 CO 0.06 -0.30 -0.11 0.14 0.00 0.00 0.00 175.76 175.55 3fyy s VAL 11 N 1.10 0.81 -0.19 0.00 -7.23 0.27 -1.47 120.40 113.69 3fyy s VAL 11 Ca 0.53 -1.10 -0.00 0.00 -1.81 0.00 0.00 61.98 59.60 3fyy s VAL 11 Cb -0.22 -0.81 0.05 0.00 0.56 0.00 0.00 36.38 35.95 3fyy s VAL 11 CO 0.27 -0.25 -0.06 -0.83 -0.31 0.00 0.00 175.10 173.93 3fyy s GLY 12 N -1.50 1.08 -0.21 2.32 0.00 0.78 -0.86 107.32 108.93 3fyy s GLY 12 Ca -0.05 -1.02 -0.00 0.00 0.00 0.00 0.00 44.72 43.65 3fyy s GLY 12 CO 0.01 0.92 -0.13 -0.42 0.00 0.00 0.00 173.10 173.48 3fyy s ILE 13 N 1.54 2.46 0.54 0.90 1.01 -1.15 -4.78 121.20 121.73 3fyy s ILE 13 Ca -0.01 -1.00 -0.21 0.00 0.00 0.00 0.00 60.65 59.43 3fyy s ILE 13 Cb -0.16 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3fyy s ILE 13 CO -0.07 0.35 1.22 -2.16 0.00 0.00 0.00 174.94 174.28 3fyy s PRO 14 N 1.30 3.28 0.44 2.79 0.04 -1.26 -3.69 135.00 137.89 3fyy s PRO 14 Ca 0.02 1.89 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 3fyy s PRO 14 Cb -0.15 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 3fyy s PRO 14 CO -0.08 -0.98 0.76 1.03 0.04 0.00 0.00 177.00 177.77 3fyy s ARG 15 N -3.04 3.64 0.57 4.56 0.52 0.27 -1.57 118.95 123.91 3fyy s ARG 15 Ca 0.72 0.28 0.28 0.00 -0.52 0.00 0.00 55.73 56.48 3fyy s ARG 15 Cb -0.32 -2.41 1.49 0.00 0.52 0.00 0.00 34.95 34.23 3fyy s ARG 15 CO 0.36 -0.10 1.96 0.45 0.02 0.00 0.00 175.30 177.99 3fyy h HIS 16 N 0.74 0.00 0.00 -0.53 3.86 -1.28 0.57 115.15 118.51 3fyy h HIS 16 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 3fyy h HIS 16 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 3fyy h HIS 16 CO 0.59 0.00 0.00 0.25 0.86 0.00 0.00 177.93 179.63 3fyy n THR 17 N -3.95 0.38 0.00 2.45 -2.24 -1.26 -4.94 114.28 104.72 3fyy n THR 17 Ca 0.09 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3fyy n THR 17 Cb 0.62 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3fyy n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fyy n GLY 18 N 1.09 3.08 3.69 3.38 0.00 0.20 -5.08 105.19 111.55 3fyy n GLY 18 Ca 0.06 -1.06 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 3fyy n GLY 18 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3fyy n PHE 19 N 0.00 2.38 -3.55 1.61 -0.00 -1.26 -4.37 117.46 112.27 3fyy n PHE 19 Ca 0.00 0.36 -0.41 0.00 -0.00 0.00 0.00 57.45 57.40 3fyy n PHE 19 Cb 0.00 -2.51 -0.08 0.00 -0.00 0.00 0.00 39.48 36.90 3fyy n PHE 19 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3fyy s VAL 20 N 0.05 4.35 0.55 -2.13 1.01 -1.26 -0.56 120.40 122.41 3fyy s VAL 20 Ca 0.68 -2.12 -0.19 0.00 0.00 0.00 0.00 61.98 60.35 3fyy s VAL 20 Cb -0.60 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 3fyy s VAL 20 CO 0.48 -0.84 1.10 0.20 0.00 0.00 0.00 175.10 176.04 3fyy s ASN 21 N 2.23 5.78 -0.07 3.32 0.01 -1.24 -4.84 114.94 120.12 3fyy s ASN 21 Ca 0.10 2.05 0.03 0.00 -0.71 0.00 0.00 52.86 54.33 3fyy s ASN 21 Cb -0.23 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.84 3fyy s ASN 21 CO -0.02 -1.17 -0.14 -0.54 -1.51 0.00 0.00 177.10 173.71 3fyy s LYS 22 N -3.48 2.71 0.29 -0.60 1.02 -1.26 -2.92 119.74 115.50 3fyy s LYS 22 Ca 0.70 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 56.02 3fyy s LYS 22 Cb -0.21 -2.44 -0.06 0.00 -0.52 0.00 0.00 37.83 34.61 3fyy s LYS 22 CO 0.29 0.52 0.08 -1.01 -0.92 0.00 0.00 175.35 174.31 3fyy s HIS 23 N -0.47 1.75 -0.11 3.18 3.76 -0.04 -0.87 115.29 122.49 3fyy s HIS 23 Ca 0.06 -1.07 -0.00 0.00 -0.15 0.00 0.00 55.06 53.90 3fyy s HIS 23 Cb -0.12 -1.09 0.02 0.00 1.11 0.00 0.00 32.58 32.51 3fyy s HIS 23 CO 0.02 -0.16 -0.07 0.08 -0.85 0.00 0.00 174.74 173.75 3fyy s VAL 24 N -3.53 1.01 -0.03 -0.90 1.01 -0.78 -0.57 120.40 116.61 3fyy s VAL 24 Ca 0.37 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 3fyy s VAL 24 Cb 0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3fyy s VAL 24 CO 0.14 0.37 0.67 -0.63 0.00 0.00 0.00 175.10 175.65 3fyy s ILE 25 N 1.71 4.96 -0.10 2.22 -1.09 0.55 -0.18 121.20 129.27 3fyy s ILE 25 Ca 0.05 1.40 -0.02 0.00 -2.23 0.00 0.00 60.65 59.84 3fyy s ILE 25 Cb -0.13 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 3fyy s ILE 25 CO -0.08 0.32 0.01 -0.69 -1.23 0.00 0.00 174.94 173.26 3fyy s VAL 26 N 0.39 4.34 -0.09 2.92 1.01 0.11 -0.97 120.40 128.10 3fyy s VAL 26 Ca 0.35 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 3fyy s VAL 26 Cb -0.18 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.39 3fyy s VAL 26 CO 0.18 0.59 -0.05 -0.54 0.00 0.00 0.00 175.10 175.28 3fyy s LYS 27 N -0.73 1.16 -0.26 2.72 1.02 -0.81 -0.73 119.74 122.12 3fyy s LYS 27 Ca 0.11 -0.12 -0.02 0.00 0.02 0.00 0.00 55.97 55.96 3fyy s LYS 27 Cb -0.12 -1.30 0.02 0.00 -0.52 0.00 0.00 37.83 35.92 3fyy s LYS 27 CO 0.02 -0.25 -0.04 0.42 -0.92 0.00 0.00 175.35 174.59 3fyy s ILE 28 N 1.67 3.03 0.24 2.17 1.01 0.12 -1.13 121.20 128.31 3fyy s ILE 28 Ca 0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 3fyy s ILE 28 Cb -0.13 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3fyy s ILE 28 CO -0.06 0.17 0.46 -1.00 0.00 0.00 0.00 174.94 174.50 3fyy s HIS 29 N 1.34 3.48 0.33 3.97 3.76 -0.38 -1.23 115.29 126.57 3fyy s HIS 29 Ca 0.00 0.44 0.03 0.00 -0.15 0.00 0.00 55.06 55.38 3fyy s HIS 29 Cb -0.17 -1.94 -0.05 0.00 1.11 0.00 0.00 32.58 31.54 3fyy s HIS 29 CO -0.03 0.29 0.10 0.95 -0.85 0.00 0.00 174.74 175.20 3fyy s THR 30 N -1.97 0.77 0.21 1.30 -4.23 -1.05 -0.86 115.64 109.81 3fyy s THR 30 Ca 0.40 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.12 3fyy s THR 30 Cb -0.11 -2.60 0.18 0.00 1.34 0.00 0.00 72.50 71.32 3fyy s THR 30 CO 0.30 0.00 1.82 -2.24 -0.54 0.00 0.00 174.62 173.96 3fyy h ASP 31 N 2.09 0.00 -0.36 3.99 2.03 -1.58 -2.91 116.42 119.68 3fyy h ASP 31 Ca -0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 3fyy h ASP 31 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 3fyy h ASP 31 CO 0.62 0.29 0.00 -0.62 -1.03 0.00 0.00 179.24 178.50 3fyy n GLU 32 N -3.55 1.86 -0.74 4.15 1.02 -1.26 -4.92 120.64 117.20 3fyy n GLU 32 Ca -0.01 -1.33 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 3fyy n GLU 32 Cb 0.43 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 3fyy n GLU 32 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fyy n GLY 33 N 1.10 1.09 3.78 0.62 0.00 -1.10 -5.03 105.19 105.64 3fyy n GLY 33 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3fyy n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fyy s LEU 34 N 0.00 4.53 -0.07 0.99 1.43 -1.26 -4.88 118.68 119.42 3fyy s LEU 34 Ca 0.00 1.45 0.04 0.00 -1.03 0.00 0.00 54.13 54.58 3fyy s LEU 34 Cb 0.00 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 43.09 3fyy s LEU 34 CO 0.00 0.18 -0.19 -0.89 0.23 0.00 0.00 176.35 175.68 3fyy s THR 35 N -0.80 1.60 -0.12 5.49 2.01 -1.26 -2.54 115.64 120.02 3fyy s THR 35 Ca 0.34 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 3fyy s THR 35 Cb -0.21 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 3fyy s THR 35 CO 0.23 0.46 0.10 -0.83 -0.69 0.00 0.00 174.62 173.88 3fyy s GLY 36 N 0.30 2.06 0.05 4.40 0.00 -0.36 -4.68 107.32 109.08 3fyy s GLY 36 Ca -0.12 -0.69 0.07 0.00 0.00 0.00 0.00 44.72 43.98 3fyy s GLY 36 CO 0.05 -0.36 -0.15 -0.26 0.00 0.00 0.00 173.10 172.38 3fyy s ILE 37 N -0.81 3.02 0.33 0.90 -4.36 -1.26 -0.71 121.20 118.32 3fyy s ILE 37 Ca 0.13 -1.15 -0.03 0.00 -0.26 0.00 0.00 60.65 59.35 3fyy s ILE 37 Cb -0.12 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.29 3fyy s ILE 37 CO 0.03 0.30 0.47 -0.83 0.24 0.00 0.00 174.94 175.15 3fyy s GLY 38 N -1.58 1.44 -0.05 6.27 0.00 0.09 -3.84 107.32 109.64 3fyy s GLY 38 Ca 0.16 -1.49 -0.02 0.00 0.00 0.00 0.00 44.72 43.37 3fyy s GLY 38 CO 0.07 -0.99 0.06 1.85 0.00 0.00 0.00 173.10 174.09 3fyy s GLU 39 N -3.14 -0.07 -0.94 2.90 2.12 -1.26 0.07 118.70 118.39 3fyy s GLU 39 Ca 0.30 0.35 -0.19 0.00 0.36 0.00 0.00 54.97 55.79 3fyy s GLU 39 Cb -0.00 -0.60 0.12 0.00 0.26 0.00 0.00 34.13 33.91 3fyy s GLU 39 CO 0.19 -0.35 1.16 -1.64 -0.54 0.00 0.00 175.26 174.09 3fyy s MET 40 N 2.17 3.59 0.12 4.30 -1.94 0.74 -3.83 119.30 124.46 3fyy s MET 40 Ca 0.05 -1.68 -0.31 0.00 -1.71 0.00 0.00 55.69 52.04 3fyy s MET 40 Cb -0.12 -4.97 -0.07 0.00 2.01 0.00 0.00 34.83 31.68 3fyy s MET 40 CO -0.03 -1.83 1.29 -1.12 -0.01 0.00 0.00 175.02 173.32 3fyy s SER 41 N 3.80 6.95 -0.26 3.03 0.01 -1.26 -1.87 113.70 124.10 3fyy s SER 41 Ca 0.34 2.22 -0.18 0.00 1.31 0.00 0.00 55.95 59.64 3fyy s SER 41 Cb -0.04 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.62 3fyy s SER 41 CO -0.09 -0.54 0.34 -0.67 0.41 0.00 0.00 173.24 172.69 3fyy n ASP 42 N 3.56 -6.36 -0.04 2.44 4.64 -1.25 -4.91 116.55 114.64 3fyy n ASP 42 Ca 0.09 0.26 0.14 0.00 -1.38 0.00 0.00 54.79 53.91 3fyy n ASP 42 Cb 0.44 -2.27 0.66 0.00 -1.04 0.00 0.00 41.12 38.91 3fyy n ASP 42 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 3fyy n PHE 43 N 0.47 0.00 -1.07 -0.67 3.01 -0.05 -4.52 117.46 114.64 3fyy n PHE 43 Ca -0.03 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.12 3fyy n PHE 43 Cb 0.53 -0.29 -0.02 0.00 -0.01 0.00 0.00 39.48 39.69 3fyy n PHE 43 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3fyy n SER 44 N -1.24 6.95 -4.14 4.37 7.64 -1.26 -4.81 113.62 121.13 3fyy n SER 44 Ca 0.12 -2.47 -0.10 0.00 1.01 0.00 0.00 58.87 57.44 3fyy n SER 44 Cb 0.28 -1.35 -0.10 0.00 -1.01 0.00 0.00 64.21 62.02 3fyy n SER 44 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3fyy s HIS 45 N 2.76 0.76 0.70 1.43 3.76 -1.26 -5.02 115.29 118.42 3fyy s HIS 45 Ca 0.56 -0.94 -0.14 0.00 -0.15 0.00 0.00 55.06 54.39 3fyy s HIS 45 Cb 0.14 -0.47 0.02 0.00 1.11 0.00 0.00 32.58 33.39 3fyy s HIS 45 CO -0.05 -0.22 1.14 -0.51 -0.85 0.00 0.00 174.74 174.25 3fyy s LEU 46 N -2.93 3.31 0.71 0.89 2.01 -1.26 -4.59 118.68 116.83 3fyy s LEU 46 Ca 0.09 2.09 -0.15 0.00 0.01 0.00 0.00 54.13 56.17 3fyy s LEU 46 Cb 0.05 -4.56 0.03 0.00 0.01 0.00 0.00 46.19 41.72 3fyy s LEU 46 CO -0.06 -1.91 1.19 -2.16 1.01 0.00 0.00 176.35 174.41 3fyy s PRO 47 N -4.14 2.29 0.00 1.29 0.04 -1.26 -4.76 135.00 128.47 3fyy s PRO 47 Ca 0.68 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 63.38 3fyy s PRO 47 Cb -0.23 -1.86 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 3fyy s PRO 47 CO 0.44 -1.70 2.60 -0.11 0.04 0.00 0.00 177.00 178.27 3fyy n LEU 48 N -2.62 4.22 -4.28 -3.56 7.94 -1.26 -4.81 117.00 112.63 3fyy n LEU 48 Ca 0.13 -2.44 -0.15 0.00 -1.11 0.00 0.00 56.01 52.44 3fyy n LEU 48 Cb 0.51 -1.07 -0.10 0.00 0.53 0.00 0.00 43.42 43.28 3fyy n LEU 48 CO 0.47 1.13 -0.36 -0.72 -1.11 0.00 0.00 177.39 176.81 3fyy s TYR 49 N 1.11 1.37 0.06 1.96 -0.85 -1.26 -5.03 117.35 114.71 3fyy s TYR 49 Ca 0.38 -0.89 0.08 0.00 -0.52 0.00 0.00 57.07 56.12 3fyy s TYR 49 Cb 0.18 -0.76 -0.03 0.00 0.38 0.00 0.00 41.96 41.73 3fyy s TYR 49 CO 0.00 -0.04 -0.22 -1.54 -1.52 0.00 0.00 175.55 172.23 3fyy s SER 50 N -3.23 2.62 0.00 -0.18 1.04 -1.26 -4.99 113.70 107.70 3fyy s SER 50 Ca 0.23 -0.58 -0.26 0.00 0.48 0.00 0.00 55.95 55.82 3fyy s SER 50 Cb 0.05 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 3fyy s SER 50 CO 0.05 0.15 0.82 -0.69 0.98 0.00 0.00 173.24 174.55 3fyy s VAL 51 N -0.89 4.85 -0.28 5.02 1.01 -1.26 -5.01 120.40 123.84 3fyy s VAL 51 Ca 0.08 1.72 -0.29 0.00 0.00 0.00 0.00 61.98 63.49 3fyy s VAL 51 Cb -0.09 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 3fyy s VAL 51 CO 0.03 0.27 1.52 -0.62 0.00 0.00 0.00 175.10 176.30 3fyy s ASP 52 N 0.51 6.40 0.39 3.32 -1.08 -1.26 -4.65 116.67 120.31 3fyy s ASP 52 Ca 0.42 1.37 0.21 0.00 -0.52 0.00 0.00 52.55 54.04 3fyy s ASP 52 Cb -0.20 -2.53 0.61 0.00 -1.46 0.00 0.00 42.92 39.34 3fyy s ASP 52 CO 0.23 -1.28 1.69 -0.07 0.52 0.00 0.00 175.17 176.27 3fyy h LEU 53 N 11.73 0.00 -0.16 -1.34 3.38 -1.97 -1.13 115.31 125.82 3fyy h LEU 53 Ca -0.31 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 3fyy h LEU 53 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3fyy h LEU 53 CO 1.02 0.31 -0.41 0.45 0.09 0.00 0.00 178.44 179.90 3fyy h HIS 54 N 0.00 0.73 -0.44 1.13 3.86 -1.99 -1.09 115.15 117.35 3fyy h HIS 54 Ca -0.00 -0.28 -0.08 0.00 -1.16 0.00 0.00 60.37 58.85 3fyy h HIS 54 Cb 0.96 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.29 3fyy h HIS 54 CO 0.00 1.03 -0.02 0.22 0.86 0.00 0.00 177.93 180.02 3fyy h ASP 55 N 0.21 0.79 -0.83 2.45 3.58 -1.96 -2.91 116.42 117.75 3fyy h ASP 55 Ca -0.00 -0.32 0.01 0.00 0.42 0.00 0.00 57.03 57.14 3fyy h ASP 55 Cb 1.02 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 3fyy h ASP 55 CO 0.09 0.92 0.55 0.25 -2.88 0.00 0.00 179.24 178.16 3fyy h LEU 56 N 0.64 0.95 -1.03 2.28 5.85 -1.14 -1.20 115.31 121.65 3fyy h LEU 56 Ca 0.12 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3fyy h LEU 56 Cb 0.52 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3fyy h LEU 56 CO 0.03 0.68 0.41 0.50 -0.34 0.00 0.00 178.44 179.73 3fyy h LYS 57 N 1.12 1.09 -0.39 1.25 3.64 -1.10 -0.29 116.57 121.89 3fyy h LYS 57 Ca 0.30 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 3fyy h LYS 57 Cb -0.13 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.47 3fyy h LYS 57 CO -0.07 0.81 -0.18 1.96 -2.27 0.00 0.00 179.45 179.71 3fyy h GLN 58 N 1.10 0.80 -0.51 1.90 1.08 -1.20 -0.91 115.11 117.38 3fyy h GLN 58 Ca 0.27 -0.35 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 3fyy h GLN 58 Cb 0.05 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 3fyy h GLN 58 CO -0.04 0.97 0.08 0.78 -0.95 0.00 0.00 178.83 179.68 3fyy h GLY 59 N 0.61 0.91 1.40 3.46 0.00 -0.90 -1.57 103.07 106.99 3fyy h GLY 59 Ca 0.09 -0.60 -0.13 0.00 0.00 0.00 0.00 47.33 46.69 3fyy h GLY 59 CO 0.05 0.56 -0.32 1.41 0.00 0.00 0.00 176.54 178.24 3fyy h LEU 60 N 0.73 0.70 -0.68 3.11 3.38 -1.01 -2.78 115.31 118.74 3fyy h LEU 60 Ca 0.16 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3fyy h LEU 60 Cb 0.40 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3fyy h LEU 60 CO 0.01 0.97 0.02 -0.07 0.09 0.00 0.00 178.44 179.46 3fyy h LEU 61 N 0.57 1.01 -1.74 1.67 3.38 -1.04 0.39 115.31 119.56 3fyy h LEU 61 Ca 0.06 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3fyy h LEU 61 Cb 0.83 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3fyy h LEU 61 CO 0.07 1.05 0.14 0.77 0.09 0.00 0.00 178.44 180.56 3fyy h SER 62 N 0.96 0.27 0.02 -0.43 4.64 -1.10 0.49 113.55 118.40 3fyy h SER 62 Ca 0.18 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3fyy h SER 62 Cb 0.52 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3fyy h SER 62 CO 0.03 0.21 -0.01 0.40 -0.87 0.00 0.00 176.83 176.59 3fyy h ILE 63 N 0.32 1.46 0.00 0.95 1.08 -1.15 -3.39 117.51 116.78 3fyy h ILE 63 Ca 0.08 -1.86 -0.23 0.00 -0.39 0.00 0.00 64.86 62.47 3fyy h ILE 63 Cb -0.01 2.65 -0.03 0.00 -3.07 0.00 0.00 36.82 36.36 3fyy h ILE 63 CO -0.02 0.45 -1.16 -0.07 -0.69 0.00 0.00 178.15 176.67 3fyy h LEU 64 N -0.88 0.01 -9.18 1.44 3.38 -0.67 -3.46 115.31 105.95 3fyy h LEU 64 Ca -0.00 -0.01 -0.73 0.00 0.09 0.00 0.00 57.88 57.23 3fyy h LEU 64 Cb 0.76 -0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.55 3fyy h LEU 64 CO 0.00 1.01 0.52 -0.11 0.09 0.00 0.00 178.44 179.95 3fyy n LEU 65 N -3.29 1.55 0.00 1.67 7.94 0.17 -1.29 117.00 123.75 3fyy n LEU 65 Ca -0.04 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 3fyy n LEU 65 Cb 0.97 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.80 3fyy n LEU 65 CO 0.47 -1.01 0.00 0.61 -1.11 0.00 0.00 177.39 176.35 3fyy n GLY 66 N 2.89 1.24 3.86 -3.96 0.00 0.48 -4.96 105.19 104.75 3fyy n GLY 66 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3fyy n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fyy s GLN 67 N -0.11 3.75 -0.38 1.61 -0.21 -0.41 -4.58 119.66 119.33 3fyy s GLN 67 Ca 0.00 0.76 -0.23 0.00 0.02 0.00 0.00 55.36 55.91 3fyy s GLN 67 Cb 0.00 -2.16 0.01 0.00 1.00 0.00 0.00 33.01 31.86 3fyy s GLN 67 CO 0.00 -0.37 0.76 1.21 -2.12 0.00 0.00 175.29 174.77 3fyy s ASN 68 N -3.63 6.51 0.54 5.90 3.04 -1.26 -1.06 114.94 124.99 3fyy s ASN 68 Ca 0.56 0.25 0.25 0.00 0.04 0.00 0.00 52.86 53.95 3fyy s ASN 68 Cb -0.10 -2.38 1.36 0.00 -1.54 0.00 0.00 41.25 38.58 3fyy s ASN 68 CO 0.42 -0.74 1.73 1.55 -3.04 0.00 0.00 177.10 177.02 3fyy h PRO 69 N 8.56 0.00 0.00 0.43 0.13 -1.95 0.05 132.00 139.21 3fyy h PRO 69 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3fyy h PRO 69 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3fyy h PRO 69 CO 0.91 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.87 3fyy n PHE 70 N -2.61 0.69 -1.60 1.56 3.72 -1.26 -4.08 117.46 113.89 3fyy n PHE 70 Ca -0.02 0.21 -0.40 0.00 -0.05 0.00 0.00 57.45 57.19 3fyy n PHE 70 Cb 0.33 -0.84 -0.02 0.00 -0.94 0.00 0.00 39.48 38.02 3fyy n PHE 70 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3fyy n ASP 71 N -2.07 7.45 -0.30 4.37 8.00 0.00 -4.67 116.55 129.34 3fyy n ASP 71 Ca 0.06 -2.78 -0.06 0.00 0.71 0.00 0.00 54.79 52.72 3fyy n ASP 71 Cb 0.40 -1.53 0.07 0.00 -0.02 0.00 0.00 41.12 40.03 3fyy n ASP 71 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3fyy h LEU 72 N 7.33 1.11 -0.48 0.64 3.38 -1.83 -0.12 115.31 125.33 3fyy h LEU 72 Ca 0.75 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.48 3fyy h LEU 72 Cb 0.38 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3fyy h LEU 72 CO 1.73 0.97 0.02 0.24 0.09 0.00 0.00 178.44 181.50 3fyy h MET 73 N 1.17 0.84 -0.06 1.13 2.86 -1.96 -0.25 114.93 118.67 3fyy h MET 73 Ca 0.27 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3fyy h MET 73 Cb 0.20 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 3fyy h MET 73 CO -0.02 0.87 0.01 -0.22 1.06 0.00 0.00 176.91 178.60 3fyy h LYS 74 N 0.70 0.10 -0.48 1.72 3.64 -1.90 -2.19 116.57 118.15 3fyy h LYS 74 Ca 0.14 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3fyy h LYS 74 Cb 0.48 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3fyy h LYS 74 CO 0.02 0.33 0.16 0.82 -2.27 0.00 0.00 179.45 178.51 3fyy h ILE 75 N -0.15 1.23 -0.36 2.00 2.04 -0.97 -2.01 117.51 119.27 3fyy h ILE 75 Ca 0.02 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 3fyy h ILE 75 Cb 0.28 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3fyy h ILE 75 CO 0.00 0.27 0.06 0.78 0.00 0.00 0.00 178.15 179.27 3fyy h ASN 76 N 0.65 0.50 -0.36 1.72 2.35 -1.04 0.96 115.58 120.35 3fyy h ASN 76 Ca 0.16 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3fyy h ASN 76 Cb 0.26 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3fyy h ASN 76 CO -0.01 0.52 0.11 0.50 -1.65 0.00 0.00 177.43 176.90 3fyy h LYS 77 N 0.53 0.56 -0.22 0.81 1.63 -1.06 -0.13 116.57 118.69 3fyy h LYS 77 Ca 0.12 -0.12 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 3fyy h LYS 77 Cb 0.24 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 3fyy h LYS 77 CO 0.00 0.59 -0.21 0.93 -3.45 0.00 0.00 179.45 177.31 3fyy h GLU 78 N 0.43 0.39 -0.35 1.90 5.08 -0.74 0.03 114.58 121.31 3fyy h GLU 78 Ca 0.12 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3fyy h GLU 78 Cb 0.26 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3fyy h GLU 78 CO -0.00 0.59 0.01 -0.07 -1.00 0.00 0.00 179.01 178.53 3fyy h LEU 79 N 0.35 0.61 -1.08 1.33 3.38 -0.45 -2.37 115.31 117.08 3fyy h LEU 79 Ca 0.06 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3fyy h LEU 79 Cb 0.57 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3fyy h LEU 79 CO 0.04 0.76 -0.24 0.74 0.09 0.00 0.00 178.44 179.83 3fyy h THR 80 N 0.44 1.25 -0.53 0.22 2.02 -0.71 0.22 112.91 115.81 3fyy h THR 80 Ca 0.10 -1.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.06 3fyy h THR 80 Cb 0.44 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3fyy h THR 80 CO 0.02 0.36 0.08 0.44 0.37 0.00 0.00 175.52 176.79 3fyy h ASP 81 N 0.33 0.79 0.87 4.18 3.32 -0.75 -2.44 116.42 122.71 3fyy h ASP 81 Ca 0.05 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 3fyy h ASP 81 Cb 0.60 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3fyy h ASP 81 CO 0.04 0.81 -1.18 0.78 -1.72 0.00 0.00 179.24 177.96 3fyy h ASN 82 N 0.80 0.00 -2.51 6.45 4.21 -1.09 -3.40 115.58 120.03 3fyy h ASN 82 Ca 0.17 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 57.08 3fyy h ASN 82 Cb 0.36 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 37.16 3fyy h ASN 82 CO 0.01 0.29 -0.81 0.49 -1.29 0.00 0.00 177.43 176.12 3fyy n PHE 83 N -2.79 1.25 -1.69 1.19 3.72 0.73 -5.10 117.46 114.77 3fyy n PHE 83 Ca -0.05 -3.81 -0.37 0.00 -0.05 0.00 0.00 57.45 53.17 3fyy n PHE 83 Cb 0.69 -0.26 0.06 0.00 -0.94 0.00 0.00 39.48 39.04 3fyy n PHE 83 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3fyy n PRO 84 N 2.00 1.03 -2.46 -1.08 -0.02 -0.93 -4.45 135.00 129.09 3fyy n PRO 84 Ca 0.25 0.40 -0.38 0.00 -2.02 0.00 0.00 63.50 61.76 3fyy n PRO 84 Cb 0.43 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 3fyy n PRO 84 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3fyy s GLU 85 N -3.14 4.27 -0.05 -0.52 2.02 -1.26 -4.91 118.70 115.11 3fyy s GLU 85 Ca 0.80 1.68 0.08 0.00 0.02 0.00 0.00 54.97 57.55 3fyy s GLU 85 Cb -0.39 -2.76 0.12 0.00 0.10 0.00 0.00 34.13 31.19 3fyy s GLU 85 CO 0.43 -0.08 1.00 0.25 0.02 0.00 0.00 175.26 176.87 3fyy n THR 86 N 0.33 1.04 -1.56 3.63 -2.24 -1.26 -4.98 114.28 109.25 3fyy n THR 86 Ca 0.03 -1.20 -0.12 0.00 -2.27 0.00 0.00 64.05 60.49 3fyy n THR 86 Cb 0.47 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 3fyy n THR 86 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3fyy n MET 87 N -0.73 -1.45 -4.55 -0.78 2.81 -1.26 -4.92 117.12 106.24 3fyy n MET 87 Ca 0.07 0.69 -0.33 0.00 -1.81 0.00 0.00 57.70 56.31 3fyy n MET 87 Cb 0.53 -4.98 -0.13 0.00 -0.71 0.00 0.00 33.22 27.93 3fyy n MET 87 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3fyy s TYR 88 N -2.13 2.94 0.17 2.03 5.04 -1.26 -4.93 117.35 119.21 3fyy s TYR 88 Ca 0.00 -0.38 -0.19 0.00 -2.44 0.00 0.00 57.07 54.05 3fyy s TYR 88 Cb 0.00 -1.89 0.10 0.00 0.35 0.00 0.00 41.96 40.52 3fyy s TYR 88 CO 0.00 -0.06 1.62 -0.92 -1.34 0.00 0.00 175.55 174.86 3fyy h TYR 89 N 6.55 -0.58 -1.05 4.97 3.20 -1.91 -3.01 116.97 125.14 3fyy h TYR 89 Ca -0.31 0.05 -0.66 0.00 3.14 0.00 0.00 58.73 60.95 3fyy h TYR 89 Cb 1.20 0.32 -0.32 0.00 1.54 0.00 0.00 36.73 39.47 3fyy h TYR 89 CO 0.52 -0.30 0.56 0.66 -1.64 0.00 0.00 178.16 177.96 3fyy n TYR 90 N -5.39 3.13 -1.86 -3.82 4.01 -1.26 -4.87 117.16 107.10 3fyy n TYR 90 Ca 0.02 -2.83 -0.42 0.00 -0.16 0.00 0.00 57.90 54.51 3fyy n TYR 90 Cb 0.30 -1.21 -0.03 0.00 -0.31 0.00 0.00 39.34 38.10 3fyy n TYR 90 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3fyy s GLU 91 N -3.80 3.95 0.57 -0.72 2.56 -1.14 -4.72 118.70 115.40 3fyy s GLU 91 Ca 0.61 2.20 0.26 0.00 0.00 0.00 0.00 54.97 58.05 3fyy s GLU 91 Cb 0.48 -4.11 1.62 0.00 2.00 0.00 0.00 34.13 34.13 3fyy s GLU 91 CO -0.04 -1.14 2.15 0.87 -0.56 0.00 0.00 175.26 176.54 3fyy h LYS 92 N 10.87 0.00 -0.05 4.30 1.57 -1.94 -0.53 116.57 130.80 3fyy h LYS 92 Ca -0.42 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 3fyy h LYS 92 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 3fyy h LYS 92 CO 0.96 0.00 -0.16 0.78 -0.57 0.00 0.00 179.45 180.46 3fyy h GLY 93 N 0.00 0.08 1.02 3.86 0.00 -1.92 -1.84 103.07 104.27 3fyy h GLY 93 Ca 0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 3fyy h GLY 93 CO -0.00 0.04 -0.09 1.76 0.00 0.00 0.00 176.54 178.25 3fyy h SER 94 N 0.07 0.87 -0.76 0.19 0.02 -1.38 -1.10 113.55 111.46 3fyy h SER 94 Ca 0.01 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.57 3fyy h SER 94 Cb 0.33 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3fyy h SER 94 CO 0.02 1.02 0.32 -0.26 -1.14 0.00 0.00 176.83 176.79 3fyy h PHE 95 N 0.71 1.16 0.32 3.45 0.04 -1.42 -0.73 116.94 120.47 3fyy h PHE 95 Ca 0.12 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 3fyy h PHE 95 Cb 0.63 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3fyy h PHE 95 CO 0.05 0.87 -0.16 0.82 -0.60 0.00 0.00 178.31 179.29 3fyy h ILE 96 N 1.12 0.70 -0.94 -0.55 2.04 -1.14 -2.09 117.51 116.65 3fyy h ILE 96 Ca 0.26 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3fyy h ILE 96 Cb 0.19 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 3fyy h ILE 96 CO -0.02 0.07 0.63 0.03 0.00 0.00 0.00 178.15 178.85 3fyy h ARG 97 N -0.61 1.23 -0.03 2.37 3.08 -1.10 -2.61 114.38 116.70 3fyy h ARG 97 Ca -0.04 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 59.96 3fyy h ARG 97 Cb 0.44 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3fyy h ARG 97 CO 0.07 0.81 -0.21 -0.97 -1.07 0.00 0.00 179.97 178.61 3fyy h ASN 98 N 1.26 -0.61 -0.76 7.04 -1.24 -0.83 0.21 115.58 120.65 3fyy h ASN 98 Ca 0.35 0.09 0.08 0.00 0.71 0.00 0.00 56.30 57.53 3fyy h ASN 98 Cb -0.12 0.26 -0.07 0.00 0.73 0.00 0.00 38.32 39.12 3fyy h ASN 98 CO -0.08 -0.27 0.42 1.23 -1.29 0.00 0.00 177.43 177.44 3fyy h GLY 99 N -0.32 1.16 0.61 1.57 0.00 -1.02 -0.02 103.07 105.06 3fyy h GLY 99 Ca 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3fyy h GLY 99 CO -0.21 0.13 -0.15 -2.22 0.00 0.00 0.00 176.54 174.09 3fyy h ILE 100 N 0.74 0.63 -0.95 2.60 1.08 -1.17 -1.92 117.51 118.51 3fyy h ILE 100 Ca 0.36 -0.66 0.04 0.00 -0.39 0.00 0.00 64.86 64.21 3fyy h ILE 100 Cb 0.31 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 3fyy h ILE 100 CO -0.23 0.12 0.62 -0.78 -0.69 0.00 0.00 178.15 177.19 3fyy h ASP 101 N -0.83 1.03 -0.46 1.72 3.58 -0.87 0.09 116.42 120.67 3fyy h ASP 101 Ca -0.04 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.31 3fyy h ASP 101 Cb 0.52 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 3fyy h ASP 101 CO 0.07 0.71 -0.02 0.78 -2.88 0.00 0.00 179.24 177.90 3fyy h ASN 102 N 1.20 0.87 -0.25 2.28 2.35 -1.03 -1.72 115.58 119.27 3fyy h ASN 102 Ca 0.38 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3fyy h ASN 102 Cb 0.01 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3fyy h ASN 102 CO -0.12 0.94 -0.11 0.00 -1.65 0.00 0.00 177.43 176.49 3fyy h ALA 103 N 1.15 1.11 -0.38 -0.83 0.00 -0.47 -2.32 119.26 117.53 3fyy h ALA 103 Ca 0.15 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3fyy h ALA 103 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3fyy h ALA 103 CO 0.03 0.56 -0.02 -0.07 0.00 0.00 0.00 179.25 179.74 3fyy h LEU 104 N 0.59 0.58 -0.27 0.00 3.38 -0.48 0.40 115.31 119.51 3fyy h LEU 104 Ca 0.11 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3fyy h LEU 104 Cb 0.54 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3fyy h LEU 104 CO 0.03 0.67 0.00 0.45 0.09 0.00 0.00 178.44 179.69 3fyy h HIS 105 N 0.58 0.51 -0.16 1.13 3.86 -0.86 -0.41 115.15 119.81 3fyy h HIS 105 Ca 0.12 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3fyy h HIS 105 Cb 0.40 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 3fyy h HIS 105 CO 0.02 0.62 0.07 0.22 0.86 0.00 0.00 177.93 179.72 3fyy h ASP 106 N 0.26 0.11 0.01 2.45 3.58 -1.13 -1.10 116.42 120.60 3fyy h ASP 106 Ca 0.08 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.55 3fyy h ASP 106 Cb 0.41 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 3fyy h ASP 106 CO 0.01 0.09 -0.12 0.25 -2.88 0.00 0.00 179.24 176.59 3fyy h LEU 107 N 0.16 -0.34 -0.41 2.28 6.46 -0.81 -0.05 115.31 122.60 3fyy h LEU 107 Ca 0.07 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 3fyy h LEU 107 Cb 0.02 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 3fyy h LEU 107 CO -0.05 -0.17 0.27 0.00 -0.62 0.00 0.00 178.44 177.87 3fyy h ALA 109 N 1.14 0.92 -0.54 0.00 0.00 -1.01 -1.59 119.26 118.19 3fyy h ALA 109 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3fyy h ALA 109 Cb -0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3fyy h ALA 109 CO -0.03 0.43 0.31 0.87 0.00 0.00 0.00 179.25 180.82 3fyy h LYS 110 N 0.99 0.74 -0.88 0.00 1.57 -0.65 0.10 116.57 118.44 3fyy h LYS 110 Ca 0.25 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 3fyy h LYS 110 Cb 0.03 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.13 3fyy h LYS 110 CO -0.04 0.56 0.56 -0.92 -0.57 0.00 0.00 179.45 179.04 3fyy h TYR 111 N 0.72 1.05 -0.00 -1.35 3.20 -0.76 -1.23 116.97 118.59 3fyy h TYR 111 Ca 0.19 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3fyy h TYR 111 Cb 0.03 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.95 3fyy h TYR 111 CO -0.02 0.58 -0.05 1.28 -1.64 0.00 0.00 178.16 178.31 3fyy n LEU 112 N -4.56 0.48 -3.62 2.82 4.77 -0.64 -4.93 117.00 111.33 3fyy n LEU 112 Ca 0.12 -0.06 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 3fyy n LEU 112 Cb 0.12 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.16 3fyy n LEU 112 CO 0.33 0.09 0.04 -0.67 -1.33 0.00 0.00 177.39 175.84 3fyy n ASP 113 N -0.80 -2.20 -4.09 -1.43 2.03 -0.10 -5.01 116.55 104.96 3fyy n ASP 113 Ca 0.18 -0.72 -0.07 0.00 0.52 0.00 0.00 54.79 54.69 3fyy n ASP 113 Cb 0.24 -4.50 -0.10 0.00 -0.72 0.00 0.00 41.12 36.04 3fyy n ASP 113 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3fyy s ILE 114 N -3.50 0.21 0.58 5.18 -4.36 -0.46 -4.83 121.20 114.02 3fyy s ILE 114 Ca 0.11 -1.81 -0.17 0.00 -0.26 0.00 0.00 60.65 58.51 3fyy s ILE 114 Cb -0.05 -1.55 -0.04 0.00 1.25 0.00 0.00 42.46 42.07 3fyy s ILE 114 CO 0.78 -0.96 1.09 -0.55 0.24 0.00 0.00 174.94 175.54 3fyy s SER 115 N -2.93 5.65 0.53 4.36 0.15 -1.26 -0.82 113.70 119.38 3fyy s SER 115 Ca 0.08 1.99 0.20 0.00 0.70 0.00 0.00 55.95 58.92 3fyy s SER 115 Cb 0.08 -2.56 1.36 0.00 -1.71 0.00 0.00 66.02 63.19 3fyy s SER 115 CO -0.09 -1.26 2.11 0.58 1.20 0.00 0.00 173.24 175.78 3fyy h VAL 116 N 0.71 0.87 -0.76 4.45 2.07 -1.35 -0.92 116.25 121.32 3fyy h VAL 116 Ca -0.48 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.13 3fyy h VAL 116 Cb 1.24 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 3fyy h VAL 116 CO 0.56 0.00 0.40 0.28 0.02 0.00 0.00 177.57 178.84 3fyy h SER 117 N 0.00 0.56 0.51 0.57 0.02 -1.89 -0.61 113.55 112.71 3fyy h SER 117 Ca 0.08 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3fyy h SER 117 Cb 0.31 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3fyy h SER 117 CO -0.00 0.32 0.00 0.47 -1.14 0.00 0.00 176.83 176.48 3fyy n ASP 118 N -4.81 0.00 0.01 3.07 8.00 -0.36 -0.93 116.55 121.53 3fyy n ASP 118 Ca 0.12 -0.19 0.11 0.00 0.71 0.00 0.00 54.79 55.53 3fyy n ASP 118 Cb 0.27 -0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 3fyy n ASP 118 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3fyy n PHE 119 N -1.26 0.08 0.28 1.24 -0.00 -0.32 -4.25 117.46 113.23 3fyy n PHE 119 Ca 0.15 0.02 0.10 0.00 -0.00 0.00 0.00 57.45 57.72 3fyy n PHE 119 Cb 0.22 -0.27 0.17 0.00 -0.00 0.00 0.00 39.48 39.60 3fyy n PHE 119 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3fyy n LEU 120 N -1.84 3.10 0.00 -2.13 4.77 -0.72 -4.94 117.00 115.25 3fyy n LEU 120 Ca 0.01 -1.48 0.00 0.00 -0.03 0.00 0.00 56.01 54.51 3fyy n LEU 120 Cb 0.43 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3fyy n LEU 120 CO 0.43 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 3fyy n GLY 121 N 1.18 1.20 5.72 -0.72 0.00 -1.18 -4.97 105.19 106.42 3fyy n GLY 121 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3fyy n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyy n GLY 122 N -0.33 -1.58 3.53 -0.02 0.00 -0.10 -4.93 105.19 101.76 3fyy n GLY 122 Ca 0.00 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 3fyy n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fyy s ARG 123 N 0.00 2.56 -0.05 1.61 1.81 -1.26 -4.09 118.95 119.52 3fyy s ARG 123 Ca 0.00 -0.67 0.06 0.00 -1.72 0.00 0.00 55.73 53.40 3fyy s ARG 123 Cb 0.00 -2.45 -0.08 0.00 -0.45 0.00 0.00 34.95 31.97 3fyy s ARG 123 CO 0.00 0.63 0.04 0.28 -0.68 0.00 0.00 175.30 175.57 3fyy n VAL 124 N 2.13 0.37 -3.88 3.52 0.31 0.91 -4.97 118.33 116.72 3fyy n VAL 124 Ca -0.17 -0.25 -0.09 0.00 -0.01 0.00 0.00 64.34 63.81 3fyy n VAL 124 Cb 0.52 -0.63 -0.05 0.00 -0.91 0.00 0.00 33.84 32.78 3fyy n VAL 124 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3fyy s LYS 125 N -2.21 1.43 0.00 5.55 -2.85 -1.16 -5.07 119.74 115.43 3fyy s LYS 125 Ca -0.03 -1.07 0.22 0.00 -1.00 0.00 0.00 55.97 54.09 3fyy s LYS 125 Cb 0.02 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.23 3fyy s LYS 125 CO 0.27 -0.59 1.05 0.39 0.10 0.00 0.00 175.35 176.56 3fyy n GLU 126 N -0.34 0.86 -3.56 1.78 -0.58 -1.26 -4.75 120.64 112.79 3fyy n GLU 126 Ca -0.06 -0.71 -0.10 0.00 -0.42 0.00 0.00 57.16 55.87 3fyy n GLU 126 Cb 0.62 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.99 3fyy n GLU 126 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 3fyy s LYS 127 N -2.63 1.33 -0.01 3.49 -2.85 -1.26 -2.10 119.74 115.71 3fyy s LYS 127 Ca 0.16 -0.58 0.02 0.00 -1.00 0.00 0.00 55.97 54.57 3fyy s LYS 127 Cb 0.18 0.55 -0.00 0.00 -2.06 0.00 0.00 37.83 36.49 3fyy s LYS 127 CO 0.65 -0.59 -0.07 0.96 0.10 0.00 0.00 175.35 176.40 3fyy s ILE 128 N -3.67 0.59 0.28 3.79 -4.36 -0.57 -4.93 121.20 112.34 3fyy s ILE 128 Ca 0.05 -0.31 -0.29 0.00 -0.26 0.00 0.00 60.65 59.84 3fyy s ILE 128 Cb -0.02 -0.50 -0.10 0.00 1.25 0.00 0.00 42.46 43.09 3fyy s ILE 128 CO -0.07 0.17 1.25 -0.75 0.24 0.00 0.00 174.94 175.78 3fyy s LYS 129 N -0.12 4.44 0.34 0.37 2.47 -1.26 -1.14 119.74 124.85 3fyy s LYS 129 Ca 0.02 2.06 0.03 0.00 -1.56 0.00 0.00 55.97 56.53 3fyy s LYS 129 Cb -0.03 -3.13 -0.04 0.00 -1.46 0.00 0.00 37.83 33.16 3fyy s LYS 129 CO -0.00 -0.09 0.13 0.14 0.16 0.00 0.00 175.35 175.69 3fyy s VAL 130 N -0.84 0.57 0.09 4.02 -7.23 -0.10 -0.88 120.40 116.02 3fyy s VAL 130 Ca 0.49 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 3fyy s VAL 130 Cb -0.37 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 3fyy s VAL 130 CO 0.46 0.00 -0.07 0.00 -0.31 0.00 0.00 175.10 175.18 3fyy s TYR 132 N -3.13 3.62 0.07 0.00 6.14 -0.72 -4.48 117.35 118.85 3fyy s TYR 132 Ca 0.07 0.59 -0.23 0.00 0.64 0.00 0.00 57.07 58.14 3fyy s TYR 132 Cb 0.02 -1.98 -0.06 0.00 0.42 0.00 0.00 41.96 40.35 3fyy s TYR 132 CO -0.04 0.73 0.69 -1.25 0.64 0.00 0.00 175.55 176.32 3fyy s PRO 133 N -1.03 4.42 -0.32 4.97 0.04 -1.26 -1.92 135.00 139.89 3fyy s PRO 133 Ca 0.16 0.95 -0.01 0.00 0.04 0.00 0.00 61.00 62.13 3fyy s PRO 133 Cb -0.13 -3.31 0.07 0.00 0.04 0.00 0.00 34.50 31.17 3fyy s PRO 133 CO 0.05 0.44 0.04 0.42 0.04 0.00 0.00 177.00 178.00 3fyy s ILE 134 N -0.56 2.96 0.62 0.56 1.01 -0.47 -4.95 121.20 120.37 3fyy s ILE 134 Ca 0.34 -1.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.21 3fyy s ILE 134 Cb -0.20 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 3fyy s ILE 134 CO 0.22 -0.27 1.14 -0.36 0.00 0.00 0.00 174.94 175.67 3fyy s PHE 135 N 1.20 2.54 0.31 3.97 0.40 -1.26 -1.74 117.98 123.39 3fyy s PHE 135 Ca -0.01 1.55 -0.29 0.00 -0.60 0.00 0.00 56.93 57.58 3fyy s PHE 135 Cb -0.20 -3.29 -0.13 0.00 0.51 0.00 0.00 43.02 39.91 3fyy s PHE 135 CO -0.02 -1.83 1.22 2.89 0.70 0.00 0.00 175.22 178.17 3fyy n ARG 136 N -1.96 1.87 -2.87 0.44 1.85 -1.20 -4.72 116.66 110.06 3fyy n ARG 136 Ca 0.12 0.66 -0.40 0.00 -1.00 0.00 0.00 57.85 57.23 3fyy n ARG 136 Cb 0.51 -2.18 -0.06 0.00 -1.05 0.00 0.00 32.46 29.68 3fyy n ARG 136 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3fyy s HIS 137 N -0.92 3.95 -0.07 2.89 3.76 -1.26 -4.95 115.29 118.69 3fyy s HIS 137 Ca 0.58 1.77 0.09 0.00 -0.15 0.00 0.00 55.06 57.35 3fyy s HIS 137 Cb -0.63 -2.87 -0.12 0.00 1.11 0.00 0.00 32.58 30.07 3fyy s HIS 137 CO 0.60 0.49 0.08 0.54 -0.85 0.00 0.00 174.74 175.59 3fyy n ARG 138 N 1.56 1.96 -4.14 1.40 1.74 -1.26 -3.39 116.66 114.53 3fyy n ARG 138 Ca -0.04 -0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 56.86 3fyy n ARG 138 Cb 0.48 -1.23 -0.13 0.00 -1.02 0.00 0.00 32.46 30.55 3fyy n ARG 138 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3fyy s PHE 139 N -2.34 0.58 0.60 -1.55 0.40 -1.26 -4.74 117.98 109.67 3fyy s PHE 139 Ca -0.04 -0.24 0.43 0.00 -0.60 0.00 0.00 56.93 56.47 3fyy s PHE 139 Cb 0.04 -0.36 2.34 0.00 0.51 0.00 0.00 43.02 45.54 3fyy s PHE 139 CO 0.38 -0.03 2.32 0.77 0.70 0.00 0.00 175.22 179.36 3fyy h SER 140 N 5.44 0.00 0.37 1.36 0.02 -1.94 -1.13 113.55 117.67 3fyy h SER 140 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3fyy h SER 140 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3fyy h SER 140 CO 0.47 0.00 0.00 1.05 -1.14 0.00 0.00 176.83 177.21 3fyy h GLU 141 N 0.00 0.00 0.00 3.45 4.11 -2.00 -2.38 114.58 117.77 3fyy h GLU 141 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3fyy h GLU 141 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3fyy h GLU 141 CO 0.00 0.00 -0.25 0.39 0.07 0.00 0.00 179.01 179.22 3fyy n GLU 142 N -3.08 0.22 -0.23 1.06 1.02 -0.43 -4.10 120.64 115.10 3fyy n GLU 142 Ca -0.02 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3fyy n GLU 142 Cb 0.15 -1.71 0.12 0.00 -0.02 0.00 0.00 31.44 29.99 3fyy n GLU 142 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3fyy h VAL 143 N 0.00 0.88 -0.15 2.62 2.07 -1.60 -1.93 116.25 118.13 3fyy h VAL 143 Ca 0.00 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.34 3fyy h VAL 143 Cb 0.70 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3fyy h VAL 143 CO 0.00 0.11 -0.02 -0.08 0.02 0.00 0.00 177.57 177.60 3fyy h GLU 144 N 0.59 0.03 -0.31 1.57 4.57 -1.79 -0.96 114.58 118.29 3fyy h GLU 144 Ca 0.32 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.55 3fyy h GLU 144 Cb 0.31 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 3fyy h GLU 144 CO -0.24 0.02 0.02 1.03 -1.18 0.00 0.00 179.01 178.66 3fyy h SER 145 N 0.03 -0.07 0.32 1.04 0.87 -1.66 -2.07 113.55 112.00 3fyy h SER 145 Ca 0.07 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 3fyy h SER 145 Cb 0.10 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3fyy h SER 145 CO -0.14 -0.00 -0.29 0.78 -0.53 0.00 0.00 176.83 176.65 3fyy h ASN 146 N 0.12 0.00 0.09 6.23 -0.26 -1.09 -2.04 115.58 118.63 3fyy h ASN 146 Ca 0.15 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.78 3fyy h ASN 146 Cb 0.18 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 3fyy h ASN 146 CO -0.23 0.29 -0.35 -0.07 -1.06 0.00 0.00 177.43 176.01 3fyy h LEU 147 N 0.00 0.38 -0.88 1.61 3.38 -0.52 -1.51 115.31 117.77 3fyy h LEU 147 Ca -0.00 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 3fyy h LEU 147 Cb 0.53 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3fyy h LEU 147 CO 0.04 0.71 -0.48 0.44 0.09 0.00 0.00 178.44 179.24 3fyy h ASP 148 N 0.32 0.21 -0.14 -0.43 3.32 -0.78 -1.89 116.42 117.02 3fyy h ASP 148 Ca 0.04 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3fyy h ASP 148 Cb 0.77 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3fyy h ASP 148 CO 0.06 0.66 0.01 0.58 -1.72 0.00 0.00 179.24 178.83 3fyy h VAL 149 N 0.16 1.24 -0.61 -1.35 2.07 -0.90 -1.70 116.25 115.16 3fyy h VAL 149 Ca 0.01 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3fyy h VAL 149 Cb 0.91 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3fyy h VAL 149 CO 0.07 0.22 0.39 0.58 0.02 0.00 0.00 177.57 178.85 3fyy h VAL 150 N -0.00 1.17 -0.59 2.57 2.07 -1.12 0.50 116.25 120.85 3fyy h VAL 150 Ca 0.04 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3fyy h VAL 150 Cb 0.33 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3fyy h VAL 150 CO 0.00 0.17 0.31 -0.09 0.02 0.00 0.00 177.57 177.99 3fyy h ARG 151 N 0.83 0.82 -0.16 1.57 2.43 -1.27 0.22 114.38 118.82 3fyy h ARG 151 Ca 0.22 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3fyy h ARG 151 Cb -0.06 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.33 3fyy h ARG 151 CO -0.04 0.64 -0.07 0.37 -1.51 0.00 0.00 179.97 179.36 3fyy h GLN 152 N 0.79 0.33 -0.04 0.20 4.15 -0.98 -1.55 115.11 118.01 3fyy h GLN 152 Ca 0.21 -0.14 -0.09 0.00 0.77 0.00 0.00 58.65 59.39 3fyy h GLN 152 Cb 0.06 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3fyy h GLN 152 CO -0.03 0.64 -0.39 0.87 -1.93 0.00 0.00 178.83 177.98 3fyy h LYS 153 N 0.02 0.09 -0.36 1.69 1.79 -0.78 -1.44 116.57 117.58 3fyy h LYS 153 Ca 0.04 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 3fyy h LYS 153 Cb 0.53 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 3fyy h LYS 153 CO 0.02 0.48 -0.31 1.25 -1.08 0.00 0.00 179.45 179.81 3fyy h LEU 154 N 0.08 0.89 -1.53 2.94 5.85 -0.51 0.17 115.31 123.19 3fyy h LEU 154 Ca 0.01 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.30 3fyy h LEU 154 Cb 0.74 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3fyy h LEU 154 CO 0.05 1.15 0.35 -0.08 -0.34 0.00 0.00 178.44 179.58 3fyy h GLU 155 N 0.63 0.60 -0.04 1.25 4.81 -0.82 0.38 114.58 121.38 3fyy h GLU 155 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3fyy h GLU 155 Cb 0.89 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.13 3fyy h GLU 155 CO 0.08 0.40 0.00 1.04 -0.73 0.00 0.00 179.01 179.80 3fyy n GLN 156 N -4.47 1.21 0.00 1.92 6.02 -0.58 -4.90 117.38 116.58 3fyy n GLN 156 Ca 0.06 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 3fyy n GLN 156 Cb 0.12 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.04 3fyy n GLN 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fyy n GLY 157 N 0.91 0.42 3.49 1.08 0.00 0.12 -4.65 105.19 106.57 3fyy n GLY 157 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3fyy n GLY 157 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fyy s PHE 158 N -2.00 2.60 -2.77 1.61 0.40 0.55 -2.03 117.98 116.34 3fyy s PHE 158 Ca 0.00 -0.29 0.25 0.00 -0.60 0.00 0.00 56.93 56.29 3fyy s PHE 158 Cb 0.00 -4.34 0.41 0.00 0.51 0.00 0.00 43.02 39.60 3fyy s PHE 158 CO 0.00 -1.69 1.38 -0.40 0.70 0.00 0.00 175.22 175.21 3fyy n ASP 159 N 8.08 2.50 -4.14 1.36 5.75 -1.26 -3.38 116.55 125.46 3fyy n ASP 159 Ca -0.01 -1.81 -0.26 0.00 -0.01 0.00 0.00 54.79 52.71 3fyy n ASP 159 Cb 0.47 0.04 -0.16 0.00 -1.03 0.00 0.00 41.12 40.44 3fyy n ASP 159 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3fyy s VAL 160 N -2.05 1.42 0.31 2.12 1.01 -1.26 -0.48 120.40 121.48 3fyy s VAL 160 Ca 0.30 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3fyy s VAL 160 Cb 0.20 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3fyy s VAL 160 CO 0.33 0.41 0.12 -0.36 0.00 0.00 0.00 175.10 175.60 3fyy s PHE 161 N -0.04 1.67 -0.02 5.22 0.08 0.70 -1.76 117.98 123.82 3fyy s PHE 161 Ca -0.02 -1.22 0.02 0.00 0.12 0.00 0.00 56.93 55.83 3fyy s PHE 161 Cb -0.11 -0.99 0.00 0.00 -0.57 0.00 0.00 43.02 41.36 3fyy s PHE 161 CO 0.02 -0.34 -0.08 -0.98 -0.10 0.00 0.00 175.22 173.74 3fyy s ARG 162 N -3.89 0.88 -0.16 0.44 1.70 -0.81 -1.04 118.95 116.08 3fyy s ARG 162 Ca 0.35 -0.28 -0.02 0.00 -0.47 0.00 0.00 55.73 55.31 3fyy s ARG 162 Cb 0.06 -0.83 -0.02 0.00 -0.57 0.00 0.00 34.95 33.59 3fyy s ARG 162 CO 0.15 0.10 -0.09 -1.17 -1.08 0.00 0.00 175.30 173.22 3fyy s LEU 163 N 0.20 2.86 -0.04 -1.89 2.96 0.07 -1.37 118.68 121.48 3fyy s LEU 163 Ca -0.03 -0.31 -0.25 0.00 -0.22 0.00 0.00 54.13 53.33 3fyy s LEU 163 Cb -0.08 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3fyy s LEU 163 CO 0.00 0.12 0.75 -0.31 -1.32 0.00 0.00 176.35 175.59 3fyy s TYR 164 N 0.65 3.62 0.39 5.38 2.02 -0.71 -0.60 117.35 128.10 3fyy s TYR 164 Ca -0.05 1.35 0.06 0.00 -0.37 0.00 0.00 57.07 58.06 3fyy s TYR 164 Cb -0.15 -2.85 -0.02 0.00 -0.40 0.00 0.00 41.96 38.54 3fyy s TYR 164 CO 0.02 0.11 0.21 0.14 -1.57 0.00 0.00 175.55 174.46 3fyy s VAL 165 N 0.66 0.28 0.00 0.71 -7.23 0.72 -3.24 120.40 112.30 3fyy s VAL 165 Ca 0.40 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 3fyy s VAL 165 Cb -0.19 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.39 3fyy s VAL 165 CO 0.20 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.60 3fyy n GLY 166 N -0.83 2.63 0.07 2.32 0.00 -1.26 -4.29 105.19 103.84 3fyy n GLY 166 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3fyy n GLY 166 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3fyy h LYS 167 N 1.09 0.00 -2.76 1.61 1.63 -1.92 -3.43 116.57 112.78 3fyy h LYS 167 Ca 0.00 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.20 3fyy h LYS 167 Cb 0.00 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 31.23 3fyy h LYS 167 CO 0.00 0.77 -0.80 1.21 -3.45 0.00 0.00 179.45 177.18 3fyy s ASN 168 N -6.21 3.12 0.50 4.20 3.84 -1.22 -4.98 114.94 114.19 3fyy s ASN 168 Ca -0.18 -2.72 0.25 0.00 0.21 0.00 0.00 52.86 50.42 3fyy s ASN 168 Cb -0.00 -0.80 1.32 0.00 -0.55 0.00 0.00 41.25 41.22 3fyy s ASN 168 CO 0.52 -0.24 1.91 -0.07 -2.79 0.00 0.00 177.10 176.43 3fyy h LEU 169 N 6.45 0.14 -0.23 3.21 3.38 -1.91 0.28 115.31 126.63 3fyy h LEU 169 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3fyy h LEU 169 Cb 0.92 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3fyy h LEU 169 CO 0.42 0.06 0.09 0.44 0.09 0.00 0.00 178.44 179.54 3fyy h ASP 170 N 0.14 0.32 -0.17 -0.43 3.32 -1.98 0.54 116.42 118.16 3fyy h ASP 170 Ca 0.39 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3fyy h ASP 170 Cb 1.32 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3fyy h ASP 170 CO -0.06 0.40 0.03 0.00 -1.72 0.00 0.00 179.24 177.90 3fyy h ALA 171 N 0.93 0.23 -0.71 3.45 0.00 -0.96 0.41 119.26 122.61 3fyy h ALA 171 Ca 0.08 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.90 3fyy h ALA 171 Cb 0.18 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 3fyy h ALA 171 CO -0.01 -0.10 0.38 -0.44 0.00 0.00 0.00 179.25 179.08 3fyy h ASP 172 N 0.08 0.52 -0.39 0.00 3.32 -0.63 0.49 116.42 119.80 3fyy h ASP 172 Ca 0.05 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3fyy h ASP 172 Cb 0.31 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3fyy h ASP 172 CO 0.00 0.31 0.13 -0.08 -1.72 0.00 0.00 179.24 177.89 3fyy h GLU 173 N 0.66 0.60 -0.25 3.56 4.81 -0.66 -1.24 114.58 122.06 3fyy h GLU 173 Ca 0.34 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3fyy h GLU 173 Cb 0.30 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3fyy h GLU 173 CO -0.24 0.59 0.12 1.49 -0.73 0.00 0.00 179.01 180.25 3fyy h GLU 174 N 0.48 0.35 -0.09 1.92 4.81 -0.08 -1.10 114.58 120.88 3fyy h GLU 174 Ca 0.13 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3fyy h GLU 174 Cb 0.24 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3fyy h GLU 174 CO -0.01 0.34 -0.07 0.35 -0.73 0.00 0.00 179.01 178.90 3fyy h PHE 175 N 0.28 -0.17 -0.68 0.92 3.57 -0.81 0.74 116.94 120.80 3fyy h PHE 175 Ca 0.09 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.63 3fyy h PHE 175 Cb 0.10 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 3fyy h PHE 175 CO -0.03 -0.11 0.45 -0.07 -2.23 0.00 0.00 178.31 176.32 3fyy h LEU 176 N -0.08 0.69 -0.14 0.59 3.38 -1.06 -0.11 115.31 118.59 3fyy h LEU 176 Ca 0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3fyy h LEU 176 Cb 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fyy h LEU 176 CO -0.14 0.48 -0.07 -1.28 0.09 0.00 0.00 178.44 177.51 3fyy h SER 177 N 0.80 0.30 -0.33 -0.43 0.87 -0.49 -2.21 113.55 112.07 3fyy h SER 177 Ca 0.27 -0.42 -0.04 0.00 -1.23 0.00 0.00 61.79 60.37 3fyy h SER 177 Cb 0.08 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3fyy h SER 177 CO -0.08 0.66 0.08 0.03 -0.53 0.00 0.00 176.83 176.99 3fyy h ARG 178 N -0.06 0.61 -0.19 2.24 2.47 -0.37 -0.38 114.38 118.70 3fyy h ARG 178 Ca 0.03 -0.11 -0.09 0.00 -1.26 0.00 0.00 59.98 58.54 3fyy h ARG 178 Cb 0.55 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.77 3fyy h ARG 178 CO 0.02 0.57 -0.25 0.28 0.56 0.00 0.00 179.97 181.16 3fyy h VAL 179 N 0.60 1.34 -0.43 2.04 2.07 -0.99 0.37 116.25 121.24 3fyy h VAL 179 Ca 0.14 -1.44 -0.06 0.00 0.82 0.00 0.00 66.70 66.16 3fyy h VAL 179 Cb 0.25 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3fyy h VAL 179 CO -0.00 0.44 0.03 0.50 0.02 0.00 0.00 177.57 178.56 3fyy h LYS 180 N 0.17 0.67 0.64 1.57 3.64 -1.20 0.05 116.57 122.11 3fyy h LYS 180 Ca 0.02 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 3fyy h LYS 180 Cb 0.81 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3fyy h LYS 180 CO 0.06 0.67 -0.31 1.49 -2.27 0.00 0.00 179.45 179.09 3fyy h GLU 181 N 0.64 -0.82 -0.12 1.90 4.57 -0.90 -1.42 114.58 118.43 3fyy h GLU 181 Ca 0.14 0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.29 3fyy h GLU 181 Cb 0.35 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3fyy h GLU 181 CO 0.01 -0.51 -0.25 1.49 -1.18 0.00 0.00 179.01 178.57 3fyy h GLU 182 N -1.12 0.38 0.00 1.92 4.81 -0.88 -3.38 114.58 116.31 3fyy h GLU 182 Ca -0.09 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 58.77 3fyy h GLU 182 Cb 0.69 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3fyy h GLU 182 CO 0.14 0.85 -2.10 1.19 -0.73 0.00 0.00 179.01 178.36 3fyy n PHE 183 N -4.46 0.00 -1.06 0.92 3.01 -0.01 -5.06 117.46 110.80 3fyy n PHE 183 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 3fyy n PHE 183 Cb 0.44 -0.65 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 3fyy n PHE 183 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3fyy n GLY 184 N 1.46 3.34 0.26 1.37 0.00 -0.53 -1.27 105.19 109.82 3fyy n GLY 184 Ca -0.14 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.74 3fyy n GLY 184 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fyy n SER 185 N 4.25 0.75 0.20 1.61 3.41 -1.26 -3.67 113.62 118.91 3fyy n SER 185 Ca 0.00 -1.90 0.06 0.00 -0.26 0.00 0.00 58.87 56.77 3fyy n SER 185 Cb 0.00 -0.09 0.41 0.00 -0.26 0.00 0.00 64.21 64.28 3fyy n SER 185 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3fyy h ARG 186 N 0.85 0.00 -5.54 4.33 3.08 -1.59 -3.44 114.38 112.08 3fyy h ARG 186 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 3fyy h ARG 186 Cb 0.19 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.02 3fyy h ARG 186 CO 0.00 0.33 -0.79 0.14 -1.07 0.00 0.00 179.97 178.58 3fyy s VAL 187 N -3.83 1.26 0.02 2.04 -7.23 -1.24 -4.85 120.40 106.57 3fyy s VAL 187 Ca -0.01 -1.30 0.07 0.00 -1.81 0.00 0.00 61.98 58.93 3fyy s VAL 187 Cb 0.12 -1.18 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 3fyy s VAL 187 CO 0.68 -0.13 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.98 3fyy s ARG 188 N -1.65 1.56 -0.45 4.82 0.52 0.37 -4.84 118.95 119.29 3fyy s ARG 188 Ca 0.01 -0.90 0.02 0.00 -0.52 0.00 0.00 55.73 54.33 3fyy s ARG 188 Cb -0.10 -1.63 0.12 0.00 0.52 0.00 0.00 34.95 33.87 3fyy s ARG 188 CO 0.02 0.43 0.20 0.42 0.02 0.00 0.00 175.30 176.39 3fyy s ILE 189 N -0.70 2.77 -0.39 1.52 1.01 0.64 -0.22 121.20 125.83 3fyy s ILE 189 Ca 0.08 -2.70 0.26 0.00 0.00 0.00 0.00 60.65 58.29 3fyy s ILE 189 Cb -0.09 -2.93 0.28 0.00 0.01 0.00 0.00 42.46 39.73 3fyy s ILE 189 CO 0.01 -0.72 1.77 0.07 0.00 0.00 0.00 174.94 176.06 3fyy h LYS 190 N 7.24 0.00 -2.78 2.79 5.09 -1.24 -3.29 116.57 124.39 3fyy h LYS 190 Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.56 3fyy h LYS 190 Cb 0.97 0.00 -0.22 0.00 0.10 0.00 0.00 32.23 33.08 3fyy h LYS 190 CO 0.63 0.00 -0.21 0.45 -2.09 0.00 0.00 179.45 178.24 3fyy s SER 191 N -4.57 -0.36 -0.28 7.07 0.15 -1.26 -0.46 113.70 113.98 3fyy s SER 191 Ca 0.04 0.54 -0.02 0.00 0.70 0.00 0.00 55.95 57.21 3fyy s SER 191 Cb 0.09 0.62 0.04 0.00 -1.71 0.00 0.00 66.02 65.06 3fyy s SER 191 CO 0.44 -0.30 -0.02 -0.31 1.20 0.00 0.00 173.24 174.25 3fyy s TYR 192 N -0.51 3.19 -0.27 3.44 2.02 -1.13 -0.75 117.35 123.36 3fyy s TYR 192 Ca -0.06 -1.72 -0.08 0.00 -0.37 0.00 0.00 57.07 54.84 3fyy s TYR 192 Cb -0.04 -2.10 -0.02 0.00 -0.40 0.00 0.00 41.96 39.40 3fyy s TYR 192 CO 0.03 -0.77 0.09 0.34 -1.57 0.00 0.00 175.55 173.67 3fyy s ASP 193 N 1.29 5.26 0.00 2.29 -1.08 0.23 -1.49 116.67 123.17 3fyy s ASP 193 Ca -0.03 -0.32 0.26 0.00 -0.52 0.00 0.00 52.55 51.94 3fyy s ASP 193 Cb -0.19 -1.94 0.78 0.00 -1.46 0.00 0.00 42.92 40.11 3fyy s ASP 193 CO -0.02 -0.09 1.59 0.49 0.52 0.00 0.00 175.17 177.66 3fyy n PHE 194 N 4.94 0.00 -4.25 -5.34 3.72 -0.54 -0.20 117.46 115.79 3fyy n PHE 194 Ca -0.15 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.88 3fyy n PHE 194 Cb 0.51 -0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 3fyy n PHE 194 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3fyy n SER 195 N -1.13 -3.14 -0.88 4.37 7.64 -1.25 -1.05 113.62 118.18 3fyy n SER 195 Ca 0.09 -1.03 -0.12 0.00 1.01 0.00 0.00 58.87 58.83 3fyy n SER 195 Cb 0.33 -2.66 -0.05 0.00 -1.01 0.00 0.00 64.21 60.82 3fyy n SER 195 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3fyy n HIS 196 N -4.36 0.00 0.17 1.43 8.25 -0.79 -4.87 115.22 115.04 3fyy n HIS 196 Ca 0.07 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.57 3fyy n HIS 196 Cb 0.49 -2.75 0.27 0.00 1.12 0.00 0.00 29.99 29.12 3fyy n HIS 196 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fyy h LEU 197 N 0.00 0.00 -9.05 2.41 3.38 -1.33 -3.39 115.31 107.32 3fyy h LEU 197 Ca -0.24 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.05 3fyy h LEU 197 Cb 1.16 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.71 3fyy h LEU 197 CO 0.35 0.46 -0.81 -0.76 0.09 0.00 0.00 178.44 177.77 3fyy s LEU 198 N -7.20 2.64 0.69 1.67 1.43 -1.26 -5.03 118.68 111.62 3fyy s LEU 198 Ca -0.00 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 3fyy s LEU 198 Cb 0.11 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.84 3fyy s LEU 198 CO 0.71 0.19 1.11 0.54 0.23 0.00 0.00 176.35 179.13 3fyy s ASN 199 N -2.01 4.94 0.36 2.29 2.20 -1.26 -3.70 114.94 117.76 3fyy s ASN 199 Ca 0.17 1.96 0.09 0.00 -0.94 0.00 0.00 52.86 54.14 3fyy s ASN 199 Cb -0.10 -2.54 0.82 0.00 -2.00 0.00 0.00 41.25 37.42 3fyy s ASN 199 CO 0.09 -1.74 1.90 4.11 -2.94 0.00 0.00 177.10 178.51 3fyy h TRP 200 N -0.26 0.77 -0.52 1.54 5.08 -1.91 -1.29 115.95 119.37 3fyy h TRP 200 Ca -0.46 0.02 -0.09 0.00 1.08 0.00 0.00 58.89 59.45 3fyy h TRP 200 Cb 1.24 -0.25 -0.02 0.00 -3.00 0.00 0.00 29.16 27.14 3fyy h TRP 200 CO 0.55 0.32 -0.02 0.87 -1.28 0.00 0.00 178.44 178.89 3fyy h LYS 201 N 0.69 0.92 -0.38 0.12 1.57 -1.91 -0.13 116.57 117.45 3fyy h LYS 201 Ca 0.40 -0.30 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 3fyy h LYS 201 Cb 0.60 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3fyy h LYS 201 CO -0.17 0.95 -0.16 -0.44 -0.57 0.00 0.00 179.45 179.07 3fyy h ASP 202 N 0.79 0.70 -0.52 0.86 3.32 -1.70 -2.46 116.42 117.42 3fyy h ASP 202 Ca 0.14 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 3fyy h ASP 202 Cb 0.55 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3fyy h ASP 202 CO 0.03 0.87 0.05 0.00 -1.72 0.00 0.00 179.24 178.47 3fyy h ALA 203 N 1.20 1.03 -0.54 3.45 0.00 -1.01 -1.84 119.26 121.55 3fyy h ALA 203 Ca 0.10 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.80 3fyy h ALA 203 Cb 0.62 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3fyy h ALA 203 CO 0.04 0.61 0.25 1.25 0.00 0.00 0.00 179.25 181.40 3fyy h HIS 204 N 0.87 0.45 -0.52 0.00 -0.00 -0.57 0.35 115.15 115.73 3fyy h HIS 204 Ca 0.17 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.54 3fyy h HIS 204 Cb 0.44 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.70 3fyy h HIS 204 CO 0.03 0.20 0.25 0.00 -0.00 0.00 0.00 177.93 178.40 3fyy h ARG 205 N 0.48 0.74 -0.14 5.26 2.47 -1.10 -1.62 114.38 120.48 3fyy h ARG 205 Ca 0.25 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 3fyy h ARG 205 Cb 0.20 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3fyy h ARG 205 CO -0.20 0.62 0.08 0.00 0.56 0.00 0.00 179.97 181.03 3fyy h ALA 206 N 1.09 0.18 -0.63 0.04 0.00 -0.53 -2.86 119.26 116.55 3fyy h ALA 206 Ca 0.18 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3fyy h ALA 206 Cb 0.12 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3fyy h ALA 206 CO -0.02 -0.29 0.28 0.82 0.00 0.00 0.00 179.25 180.04 3fyy h ILE 207 N 0.13 0.83 -0.88 0.00 2.04 -0.15 0.19 117.51 119.66 3fyy h ILE 207 Ca 0.05 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.81 3fyy h ILE 207 Cb 0.07 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 3fyy h ILE 207 CO -0.01 0.09 0.54 0.50 0.00 0.00 0.00 178.15 179.28 3fyy h LYS 208 N 0.49 0.95 0.08 2.37 3.64 -1.08 0.66 116.57 123.69 3fyy h LYS 208 Ca 0.31 -0.06 -0.30 0.00 -1.27 0.00 0.00 60.65 59.33 3fyy h LYS 208 Cb 0.34 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3fyy h LYS 208 CO -0.27 0.63 -1.56 0.07 -2.27 0.00 0.00 179.45 176.05 3fyy h ARG 209 N 0.98 0.17 -0.27 1.90 0.11 -1.21 -3.36 114.38 112.69 3fyy h ARG 209 Ca 0.39 -0.29 -0.15 0.00 0.10 0.00 0.00 59.98 60.03 3fyy h ARG 209 Cb 0.20 0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.38 3fyy h ARG 209 CO -0.18 0.97 -0.43 -0.07 0.10 0.00 0.00 179.97 180.36 3fyy h LEU 210 N 0.05 0.73 0.00 0.08 3.38 -0.45 -2.89 115.31 116.21 3fyy h LEU 210 Ca -0.24 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.39 3fyy h LEU 210 Cb 1.99 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.53 3fyy h LEU 210 CO 0.13 1.06 0.00 0.35 0.09 0.00 0.00 178.44 180.07 3fyy n THR 211 N -4.02 0.00 0.26 0.22 -2.24 0.21 -1.75 114.28 106.96 3fyy n THR 211 Ca -0.02 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.91 3fyy n THR 211 Cb 0.54 -0.20 0.65 0.00 -2.10 0.00 0.00 70.33 69.22 3fyy n THR 211 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3fyy h LYS 212 N 0.00 0.00 -4.88 -0.78 1.79 -1.65 -3.37 116.57 107.67 3fyy h LYS 212 Ca 0.00 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.81 3fyy h LYS 212 Cb 0.00 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 30.42 3fyy h LYS 212 CO 0.00 0.09 -0.60 0.71 -1.08 0.00 0.00 179.45 178.57 3fyy s TYR 213 N -3.76 3.12 -0.43 -1.35 2.02 -0.71 -5.05 117.35 111.19 3fyy s TYR 213 Ca 0.00 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.22 3fyy s TYR 213 Cb 0.10 -2.28 0.13 0.00 -0.40 0.00 0.00 41.96 39.51 3fyy s TYR 213 CO 0.57 -0.40 0.21 0.34 -1.57 0.00 0.00 175.55 174.70 3fyy s ASP 214 N 1.61 3.88 -1.00 2.29 -1.08 -1.26 -4.94 116.67 116.17 3fyy s ASP 214 Ca 0.05 -2.53 -0.03 0.00 -0.52 0.00 0.00 52.55 49.53 3fyy s ASP 214 Cb -0.16 -1.15 0.29 0.00 -1.46 0.00 0.00 42.92 40.44 3fyy s ASP 214 CO 0.05 -0.29 1.28 0.18 0.52 0.00 0.00 175.17 176.90 3fyy n LEU 215 N 3.69 5.74 -1.39 -1.34 4.77 -1.26 -4.61 117.00 122.60 3fyy n LEU 215 Ca 0.06 -5.23 -0.12 0.00 -0.03 0.00 0.00 56.01 50.69 3fyy n LEU 215 Cb 0.35 -1.18 -0.00 0.00 -2.33 0.00 0.00 43.42 40.27 3fyy n LEU 215 CO 0.24 1.71 -0.12 0.61 -1.33 0.00 0.00 177.39 178.51 3fyy n GLY 216 N 1.44 -0.08 3.70 -0.72 0.00 -1.26 -0.26 105.19 108.01 3fyy n GLY 216 Ca 0.26 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 3fyy n GLY 216 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3fyy n LEU 217 N -1.77 3.68 -0.04 0.99 7.94 -1.24 -4.14 117.00 122.42 3fyy n LEU 217 Ca -0.12 1.05 -0.04 0.00 -1.11 0.00 0.00 56.01 55.80 3fyy n LEU 217 Cb 0.60 -1.51 -0.07 0.00 0.53 0.00 0.00 43.42 42.96 3fyy n LEU 217 CO 0.18 0.01 -0.78 -0.62 -1.11 0.00 0.00 177.39 175.07 3fyy n GLU 218 N 4.14 2.28 -3.62 1.96 1.02 0.39 -4.99 120.64 121.82 3fyy n GLU 218 Ca 0.17 -0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.23 3fyy n GLU 218 Cb 0.33 -1.24 -0.02 0.00 -0.02 0.00 0.00 31.44 30.50 3fyy n GLU 218 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fyy s MET 219 N -2.27 1.15 -0.18 3.49 0.23 -0.46 -4.22 119.30 117.04 3fyy s MET 219 Ca -0.04 -0.54 0.00 0.00 -1.03 0.00 0.00 55.69 54.07 3fyy s MET 219 Cb 0.03 0.45 0.01 0.00 -1.53 0.00 0.00 34.83 33.80 3fyy s MET 219 CO 0.38 -0.52 -0.16 0.42 -2.03 0.00 0.00 175.02 173.11 3fyy s ILE 220 N -3.39 2.39 -0.08 3.16 -1.09 -0.56 -2.82 121.20 118.81 3fyy s ILE 220 Ca 0.08 -0.83 -0.02 0.00 -2.23 0.00 0.00 60.65 57.64 3fyy s ILE 220 Cb -0.02 -2.02 -0.03 0.00 -1.58 0.00 0.00 42.46 38.81 3fyy s ILE 220 CO -0.04 0.51 0.00 -0.70 -1.23 0.00 0.00 174.94 173.49 3fyy s GLU 221 N 1.25 2.98 -1.49 2.79 2.12 -0.56 -1.27 118.70 124.52 3fyy s GLU 221 Ca 0.03 -0.41 -0.06 0.00 0.36 0.00 0.00 54.97 54.89 3fyy s GLU 221 Cb -0.14 -2.79 0.05 0.00 0.26 0.00 0.00 34.13 31.51 3fyy s GLU 221 CO -0.09 0.70 0.57 0.43 -0.54 0.00 0.00 175.26 176.33 3fyy n SER 222 N 2.11 -1.47 -0.62 -1.70 7.64 -0.44 -1.46 113.62 117.68 3fyy n SER 222 Ca -0.18 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.71 3fyy n SER 222 Cb 0.54 -3.07 0.00 0.00 -1.01 0.00 0.00 64.21 60.67 3fyy n SER 222 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3fyy n PRO 223 N -4.42 0.97 -3.75 1.43 -0.04 -1.26 -1.89 135.00 126.04 3fyy n PRO 223 Ca -0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 3fyy n PRO 223 Cb 0.62 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 3fyy n PRO 223 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fyy s ALA 224 N -0.76 -0.57 0.77 0.55 0.00 -1.26 -4.08 121.76 116.42 3fyy s ALA 224 Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 51.96 51.50 3fyy s ALA 224 Cb 0.00 0.56 0.05 0.00 0.00 0.00 0.00 23.12 23.73 3fyy s ALA 224 CO 0.00 -0.56 1.17 -2.30 0.00 0.00 0.00 175.76 174.08 3fyy n PRO 225 N -0.07 0.39 -1.65 0.00 -0.02 -1.24 -4.23 135.00 128.17 3fyy n PRO 225 Ca -0.16 0.20 -0.48 0.00 -2.02 0.00 0.00 63.50 61.04 3fyy n PRO 225 Cb 0.63 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 3fyy n PRO 225 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fyy n ARG 226 N -2.80 1.85 -1.07 -0.52 1.74 -1.26 -1.37 116.66 113.22 3fyy n ARG 226 Ca 0.14 0.67 -0.02 0.00 -0.77 0.00 0.00 57.85 57.86 3fyy n ARG 226 Cb 0.50 -2.41 -0.01 0.00 -1.02 0.00 0.00 32.46 29.52 3fyy n ARG 226 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3fyy n ASN 227 N 3.60 -4.36 -4.38 0.55 3.02 -1.26 -4.94 115.26 107.49 3fyy n ASN 227 Ca 0.18 0.06 -0.43 0.00 -0.03 0.00 0.00 54.58 54.36 3fyy n ASN 227 Cb 0.26 -2.07 0.00 0.00 -0.61 0.00 0.00 39.78 37.35 3fyy n ASN 227 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3fyy n ASP 228 N -0.26 5.00 -0.22 6.41 2.03 -0.47 -4.79 116.55 124.24 3fyy n ASP 228 Ca -0.02 -2.96 -0.08 0.00 0.52 0.00 0.00 54.79 52.25 3fyy n ASP 228 Cb 0.26 -1.63 0.03 0.00 -0.72 0.00 0.00 41.12 39.06 3fyy n ASP 228 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3fyy h PHE 229 N 7.04 1.03 -0.38 -0.67 0.04 -1.92 -1.56 116.94 120.52 3fyy h PHE 229 Ca 0.39 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.97 3fyy h PHE 229 Cb 0.83 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 3fyy h PHE 229 CO 1.26 0.85 -0.10 -0.44 -0.60 0.00 0.00 178.31 179.29 3fyy h ASP 230 N 0.91 0.64 -0.33 2.17 3.32 -1.99 -1.47 116.42 119.66 3fyy h ASP 230 Ca 0.20 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 3fyy h ASP 230 Cb 0.33 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3fyy h ASP 230 CO -0.00 0.77 -0.04 1.23 -1.72 0.00 0.00 179.24 179.48 3fyy h GLY 231 N 0.96 0.66 0.92 2.75 0.00 -1.89 -1.46 103.07 105.03 3fyy h GLY 231 Ca 0.11 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 46.93 3fyy h GLY 231 CO 0.03 0.48 0.24 1.41 0.00 0.00 0.00 176.54 178.70 3fyy h LEU 232 N 0.41 0.40 0.29 3.11 3.38 -1.06 -1.34 115.31 120.49 3fyy h LEU 232 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3fyy h LEU 232 Cb 0.51 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3fyy h LEU 232 CO 0.02 0.29 -0.27 0.22 0.09 0.00 0.00 178.44 178.79 3fyy h TYR 233 N 0.49 -0.71 -0.82 1.13 3.20 -1.13 0.46 116.97 119.59 3fyy h TYR 233 Ca 0.16 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.14 3fyy h TYR 233 Cb -0.01 0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.48 3fyy h TYR 233 CO -0.07 -0.39 0.54 1.96 -1.64 0.00 0.00 178.16 178.56 3fyy h GLN 234 N -0.58 0.71 0.00 1.82 1.08 -1.11 0.83 115.11 117.86 3fyy h GLN 234 Ca -0.01 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.03 3fyy h GLN 234 Cb 0.52 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 3fyy h GLN 234 CO -0.04 0.47 -0.53 1.25 -0.95 0.00 0.00 178.83 179.03 3fyy h LEU 235 N 0.73 0.00 -0.89 1.46 5.85 -0.70 -2.87 115.31 118.88 3fyy h LEU 235 Ca 0.39 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.99 3fyy h LEU 235 Cb 0.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3fyy h LEU 235 CO -0.16 0.53 -0.48 -0.09 -0.34 0.00 0.00 178.44 177.91 3fyy h ARG 236 N 0.00 0.17 -0.03 1.25 2.43 0.23 -1.91 114.38 116.52 3fyy h ARG 236 Ca -0.01 -0.09 -0.18 0.00 -0.81 0.00 0.00 59.98 58.89 3fyy h ARG 236 Cb 1.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 3fyy h ARG 236 CO 0.07 0.62 -0.76 -0.07 -1.51 0.00 0.00 179.97 178.31 3fyy h LEU 237 N 0.14 0.29 0.00 3.80 4.07 -1.17 -3.28 115.31 119.16 3fyy h LEU 237 Ca 0.01 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.76 3fyy h LEU 237 Cb 0.90 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.55 3fyy h LEU 237 CO 0.07 0.95 -0.76 0.29 -1.08 0.00 0.00 178.44 177.91 3fyy n LYS 238 N -3.76 0.16 -4.08 1.13 5.02 -1.10 -4.89 118.16 110.65 3fyy n LYS 238 Ca -0.03 0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.93 3fyy n LYS 238 Cb 0.73 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 34.06 3fyy n LYS 238 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3fyy s THR 239 N -3.11 4.58 0.15 -0.18 2.01 -0.73 -4.99 115.64 113.38 3fyy s THR 239 Ca 0.07 -0.11 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 3fyy s THR 239 Cb 0.15 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 3fyy s THR 239 CO 0.76 0.46 1.52 0.44 -0.69 0.00 0.00 174.62 177.11 3fyy h ASP 240 N 6.77 0.98 -4.08 3.53 3.45 -1.90 -3.45 116.42 121.72 3fyy h ASP 240 Ca -0.36 -0.41 -0.50 0.00 0.43 0.00 0.00 57.03 56.19 3fyy h ASP 240 Cb 1.17 -0.27 0.07 0.00 -0.56 0.00 0.00 39.33 39.74 3fyy h ASP 240 CO 0.68 1.17 0.44 -0.31 -1.57 0.00 0.00 179.24 179.65 3fyy s TYR 241 N -4.62 2.71 0.48 4.55 2.02 -1.26 -4.99 117.35 116.25 3fyy s TYR 241 Ca -0.12 1.54 -0.23 0.00 -0.37 0.00 0.00 57.07 57.89 3fyy s TYR 241 Cb 0.12 -3.29 -0.07 0.00 -0.40 0.00 0.00 41.96 38.32 3fyy s TYR 241 CO 0.86 -1.53 1.31 -2.14 -1.57 0.00 0.00 175.55 172.49 3fyy s PRO 242 N -3.21 3.55 -0.17 -1.71 0.02 -1.26 -4.82 135.00 127.39 3fyy s PRO 242 Ca 0.71 2.14 -0.06 0.00 0.02 0.00 0.00 61.00 63.81 3fyy s PRO 242 Cb -0.24 -2.46 -0.04 0.00 0.02 0.00 0.00 34.50 31.78 3fyy s PRO 242 CO 0.27 -0.83 0.04 0.42 -0.33 0.00 0.00 177.00 176.57 3fyy s ILE 243 N -1.33 4.60 0.14 2.83 -1.09 -1.26 -1.50 121.20 123.59 3fyy s ILE 243 Ca 0.65 -0.10 0.11 0.00 -2.23 0.00 0.00 60.65 59.07 3fyy s ILE 243 Cb -0.38 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 3fyy s ILE 243 CO 0.46 0.48 -0.25 -0.94 -1.23 0.00 0.00 174.94 173.46 3fyy s SER 244 N 0.28 3.45 -0.02 3.58 1.04 -0.39 -0.19 113.70 121.46 3fyy s SER 244 Ca 0.02 -0.73 -0.12 0.00 0.48 0.00 0.00 55.95 55.61 3fyy s SER 244 Cb -0.13 -0.29 0.02 0.00 0.10 0.00 0.00 66.02 65.72 3fyy s SER 244 CO 0.01 0.17 0.25 -0.70 0.98 0.00 0.00 173.24 173.95 3fyy s GLU 245 N -2.16 0.58 0.51 4.02 2.56 -1.00 -1.32 118.70 121.88 3fyy s GLU 245 Ca 0.16 -0.22 -0.20 0.00 0.00 0.00 0.00 54.97 54.71 3fyy s GLU 245 Cb -0.10 0.25 -0.07 0.00 2.00 0.00 0.00 34.13 36.21 3fyy s GLU 245 CO 0.07 -0.15 1.06 -1.01 -0.56 0.00 0.00 175.26 174.68 3fyy s HIS 246 N -1.23 2.90 -0.31 5.30 3.76 -1.26 -0.79 115.29 123.67 3fyy s HIS 246 Ca -0.13 1.56 -0.08 0.00 -0.15 0.00 0.00 55.06 56.27 3fyy s HIS 246 Cb -0.06 -3.12 0.01 0.00 1.11 0.00 0.00 32.58 30.52 3fyy s HIS 246 CO 0.03 -1.06 0.10 0.08 -0.85 0.00 0.00 174.74 173.05 3fyy s VAL 247 N -1.96 4.09 -0.74 -0.90 1.01 -0.29 -4.84 120.40 116.78 3fyy s VAL 247 Ca 0.69 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 62.03 3fyy s VAL 247 Cb -0.18 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.06 3fyy s VAL 247 CO 0.23 0.02 0.58 -2.67 0.00 0.00 0.00 175.10 173.26 3fyy n TRP 248 N 4.89 0.00 -3.54 5.22 2.14 -1.26 -4.34 117.44 120.55 3fyy n TRP 248 Ca -0.14 0.00 -0.11 0.00 2.07 0.00 0.00 57.50 59.32 3fyy n TRP 248 Cb 0.48 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.93 3fyy n TRP 248 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 3fyy s SER 249 N -1.06 -0.41 0.28 -0.67 1.04 -1.26 -4.64 113.70 106.98 3fyy s SER 249 Ca 0.07 0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.79 3fyy s SER 249 Cb 0.06 0.36 0.41 0.00 0.10 0.00 0.00 66.02 66.96 3fyy s SER 249 CO 0.18 -0.47 1.84 -0.26 0.98 0.00 0.00 173.24 175.50 3fyy h PHE 250 N 2.43 0.86 -0.44 5.02 0.04 -1.96 -1.20 116.94 121.68 3fyy h PHE 250 Ca -0.21 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.48 3fyy h PHE 250 Cb 1.19 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 3fyy h PHE 250 CO 0.29 0.70 0.22 -0.22 -0.60 0.00 0.00 178.31 178.71 3fyy h LYS 251 N 0.82 0.62 -0.28 1.51 1.63 -1.98 0.37 116.57 119.25 3fyy h LYS 251 Ca 0.18 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 3fyy h LYS 251 Cb 0.25 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 3fyy h LYS 251 CO -0.01 0.52 0.12 0.37 -3.45 0.00 0.00 179.45 177.00 3fyy h GLN 252 N 0.57 0.41 -0.64 1.90 4.15 -1.90 -1.63 115.11 117.96 3fyy h GLN 252 Ca 0.15 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 3fyy h GLN 252 Cb 0.09 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 3fyy h GLN 252 CO -0.02 0.42 0.25 0.37 -1.93 0.00 0.00 178.83 177.92 3fyy h GLN 253 N 0.30 0.96 -0.53 1.69 4.15 -0.91 -1.78 115.11 118.99 3fyy h GLN 253 Ca 0.09 -0.18 0.04 0.00 0.77 0.00 0.00 58.65 59.37 3fyy h GLN 253 Cb 0.16 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 3fyy h GLN 253 CO -0.01 0.81 0.29 0.37 -1.93 0.00 0.00 178.83 178.37 3fyy h GLN 254 N 0.90 0.56 -0.65 1.69 4.15 -0.08 -1.27 115.11 120.41 3fyy h GLN 254 Ca 0.21 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.53 3fyy h GLN 254 Cb 0.22 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 3fyy h GLN 254 CO -0.02 0.37 0.13 0.93 -1.93 0.00 0.00 178.83 178.32 3fyy h GLU 255 N 0.57 1.05 0.00 1.69 4.39 -1.02 0.19 114.58 121.44 3fyy h GLU 255 Ca 0.23 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 3fyy h GLU 255 Cb 0.09 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3fyy h GLU 255 CO -0.13 0.94 -0.37 0.52 -1.16 0.00 0.00 179.01 178.80 3fyy h MET 256 N 0.99 0.00 0.03 2.33 2.86 -0.86 -1.65 114.93 118.62 3fyy h MET 256 Ca 0.20 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3fyy h MET 256 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3fyy h MET 256 CO 0.01 0.37 -0.01 0.82 1.06 0.00 0.00 176.91 179.16 3fyy h ILE 257 N 0.00 1.44 -0.80 -1.22 2.04 -0.84 -0.84 117.51 117.28 3fyy h ILE 257 Ca -0.00 -1.75 0.15 0.00 1.00 0.00 0.00 64.86 64.26 3fyy h ILE 257 Cb 0.72 2.56 -0.10 0.00 -0.74 0.00 0.00 36.82 39.26 3fyy h ILE 257 CO 0.05 0.43 0.35 0.11 0.00 0.00 0.00 178.15 179.08 3fyy h LYS 258 N -0.83 0.47 -0.08 2.37 1.57 -0.85 -0.67 116.57 118.55 3fyy h LYS 258 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3fyy h LYS 258 Cb 0.73 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3fyy h LYS 258 CO 0.01 0.31 0.00 1.63 -0.57 0.00 0.00 179.45 180.83 3fyy n LYS 259 N -4.97 1.82 -4.01 3.15 5.02 -0.63 -4.93 118.16 113.60 3fyy n LYS 259 Ca 0.16 -1.20 -0.27 0.00 -2.02 0.00 0.00 58.31 54.97 3fyy n LYS 259 Cb 0.45 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 3fyy n LYS 259 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3fyy n ASP 260 N 0.45 -0.94 0.16 4.39 2.03 -0.26 -4.86 116.55 117.51 3fyy n ASP 260 Ca 0.18 -1.01 0.03 0.00 0.52 0.00 0.00 54.79 54.51 3fyy n ASP 260 Cb 0.40 -3.00 0.15 0.00 -0.72 0.00 0.00 41.12 37.95 3fyy n ASP 260 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fyy h ALA 261 N 0.85 0.78 -2.33 -1.67 0.00 -1.45 -3.45 119.26 112.00 3fyy h ALA 261 Ca -0.62 -0.43 -0.33 0.00 0.00 0.00 0.00 54.91 53.53 3fyy h ALA 261 Cb 1.38 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.95 3fyy h ALA 261 CO 0.65 0.59 -0.63 0.96 0.00 0.00 0.00 179.25 180.83 3fyy s ILE 262 N -3.21 0.57 -0.19 0.00 -4.36 -1.26 -3.45 121.20 109.30 3fyy s ILE 262 Ca 0.02 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.51 3fyy s ILE 262 Cb 0.09 -2.49 -0.18 0.00 1.25 0.00 0.00 42.46 41.13 3fyy s ILE 262 CO 0.72 -0.13 -0.05 0.47 0.24 0.00 0.00 174.94 176.20 3fyy n ASP 263 N -0.40 1.51 -4.10 4.36 9.92 0.74 -4.95 116.55 123.63 3fyy n ASP 263 Ca -0.02 -0.05 -0.28 0.00 -0.53 0.00 0.00 54.79 53.92 3fyy n ASP 263 Cb 0.65 0.38 -0.17 0.00 -0.64 0.00 0.00 41.12 41.34 3fyy n ASP 263 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3fyy s ILE 264 N -2.41 1.50 -0.28 0.53 1.01 -0.43 -3.41 121.20 117.70 3fyy s ILE 264 Ca -0.17 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 3fyy s ILE 264 Cb 0.06 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 3fyy s ILE 264 CO 0.60 0.44 0.35 -0.36 0.00 0.00 0.00 174.94 175.97 3fyy s PHE 265 N 0.57 3.24 -0.44 3.97 0.08 -0.19 -2.38 117.98 122.82 3fyy s PHE 265 Ca -0.16 0.32 -0.21 0.00 0.12 0.00 0.00 56.93 57.00 3fyy s PHE 265 Cb -0.17 -2.56 0.02 0.00 -0.57 0.00 0.00 43.02 39.74 3fyy s PHE 265 CO 0.05 -0.25 0.67 1.21 -0.10 0.00 0.00 175.22 176.81 3fyy s ASN 266 N 1.67 6.34 -0.11 1.36 3.04 0.03 -1.43 114.94 125.84 3fyy s ASN 266 Ca 0.14 -0.29 -0.00 0.00 0.04 0.00 0.00 52.86 52.74 3fyy s ASN 266 Cb -0.16 -2.33 -0.02 0.00 -1.54 0.00 0.00 41.25 37.20 3fyy s ASN 266 CO 0.10 -0.81 -0.10 -0.63 -3.04 0.00 0.00 177.10 172.62 3fyy s ILE 267 N 2.91 3.32 -0.05 -5.21 1.01 -0.05 -1.14 121.20 121.99 3fyy s ILE 267 Ca 0.24 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 3fyy s ILE 267 Cb -0.14 -2.39 0.04 0.00 0.01 0.00 0.00 42.46 39.98 3fyy s ILE 267 CO 0.20 0.54 0.11 -0.55 0.00 0.00 0.00 174.94 175.23 3fyy s SER 268 N 0.01 0.32 0.28 3.58 0.15 -1.26 -1.20 113.70 115.58 3fyy s SER 268 Ca -0.03 0.21 -0.00 0.00 0.70 0.00 0.00 55.95 56.83 3fyy s SER 268 Cb -0.14 0.09 0.64 0.00 -1.71 0.00 0.00 66.02 64.90 3fyy s SER 268 CO 0.04 -0.18 1.64 -0.65 1.20 0.00 0.00 173.24 175.28 3fyy h PRO 269 N 7.70 0.16 -0.71 5.44 0.11 -1.90 -1.94 132.00 140.86 3fyy h PRO 269 Ca -0.32 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.84 3fyy h PRO 269 Cb 1.13 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3fyy h PRO 269 CO 0.33 0.11 0.46 -0.24 -0.21 0.00 0.00 178.00 178.45 3fyy h VAL 270 N 0.17 1.03 0.00 3.15 3.04 -1.89 0.15 116.25 121.90 3fyy h VAL 270 Ca 0.52 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.95 3fyy h VAL 270 Cb 1.02 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 3fyy h VAL 270 CO -0.68 0.14 -0.36 0.49 -1.01 0.00 0.00 177.57 176.15 3fyy n PHE 271 N -4.48 0.29 0.17 3.17 3.72 -0.74 -3.40 117.46 116.19 3fyy n PHE 271 Ca 0.10 0.09 0.02 0.00 -0.05 0.00 0.00 57.45 57.61 3fyy n PHE 271 Cb 0.21 -0.52 0.02 0.00 -0.94 0.00 0.00 39.48 38.25 3fyy n PHE 271 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 3fyy n ILE 272 N -1.79 0.06 0.00 4.37 0.13 -0.86 -4.44 119.36 116.83 3fyy n ILE 272 Ca 0.05 -0.53 0.00 0.00 -1.10 0.00 0.00 62.75 61.17 3fyy n ILE 272 Cb 0.38 1.06 0.00 0.00 -0.84 0.00 0.00 39.64 40.24 3fyy n ILE 272 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3fyy n GLY 273 N 0.23 1.08 0.00 4.50 0.00 -0.24 -4.70 105.19 106.06 3fyy n GLY 273 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3fyy n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyy n GLY 274 N -1.71 1.16 0.35 -0.02 0.00 0.37 -2.53 105.19 102.80 3fyy n GLY 274 Ca 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 46.02 43.69 3fyy n GLY 274 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fyy h LEU 275 N 0.00 1.05 -0.42 0.99 3.38 -1.85 0.21 115.31 118.68 3fyy h LEU 275 Ca 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3fyy h LEU 275 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3fyy h LEU 275 CO 0.00 0.88 0.21 0.74 0.09 0.00 0.00 178.44 180.37 3fyy h THR 276 N 1.16 1.17 -0.26 0.22 2.02 -1.89 0.76 112.91 116.08 3fyy h THR 276 Ca 0.28 -0.46 -0.19 0.00 0.77 0.00 0.00 66.41 66.81 3fyy h THR 276 Cb 0.10 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3fyy h THR 276 CO -0.04 0.18 -0.59 0.28 0.37 0.00 0.00 175.52 175.73 3fyy h SER 277 N 0.54 0.94 -0.44 4.18 0.02 -1.77 -2.66 113.55 114.35 3fyy h SER 277 Ca 0.14 -0.52 -0.05 0.00 -0.84 0.00 0.00 61.79 60.52 3fyy h SER 277 Cb 0.09 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3fyy h SER 277 CO -0.02 1.32 0.09 0.00 -1.14 0.00 0.00 176.83 177.08 3fyy h ALA 278 N 0.70 1.21 -0.42 3.77 0.00 -0.39 -0.61 119.26 123.51 3fyy h ALA 278 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3fyy h ALA 278 Cb 1.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3fyy h ALA 278 CO 0.13 0.54 -0.05 0.87 0.00 0.00 0.00 179.25 180.74 3fyy h LYS 279 N 0.76 0.77 -0.77 0.00 1.57 -0.80 -0.21 116.57 117.88 3fyy h LYS 279 Ca 0.16 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3fyy h LYS 279 Cb 0.33 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3fyy h LYS 279 CO 0.00 0.87 0.42 0.87 -0.57 0.00 0.00 179.45 181.04 3fyy h LYS 280 N 0.60 1.09 -0.62 3.15 1.57 -1.09 0.62 116.57 121.89 3fyy h LYS 280 Ca 0.11 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3fyy h LYS 280 Cb 0.55 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3fyy h LYS 280 CO 0.03 0.81 0.19 0.00 -0.57 0.00 0.00 179.45 179.91 3fyy h ALA 281 N 1.22 0.81 -0.48 3.86 0.00 -0.87 -0.08 119.26 123.71 3fyy h ALA 281 Ca 0.27 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3fyy h ALA 281 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3fyy h ALA 281 CO -0.04 0.48 -0.02 0.00 0.00 0.00 0.00 179.25 179.66 3fyy h ALA 282 N 1.07 0.65 -0.31 0.00 0.00 -0.59 -1.87 119.26 118.20 3fyy h ALA 282 Ca 0.20 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3fyy h ALA 282 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fyy h ALA 282 CO -0.01 0.47 -0.25 1.88 0.00 0.00 0.00 179.25 181.34 3fyy h TYR 283 N 0.71 0.69 -0.78 0.00 0.05 -0.72 -0.73 116.97 116.19 3fyy h TYR 283 Ca 0.13 -0.15 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 3fyy h TYR 283 Cb 0.54 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 3fyy h TYR 283 CO 0.04 0.80 0.30 0.00 -1.05 0.00 0.00 178.16 178.25 3fyy h ALA 284 N 1.19 1.06 -0.64 3.88 0.00 -0.79 0.49 119.26 124.45 3fyy h ALA 284 Ca 0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3fyy h ALA 284 Cb 0.72 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3fyy h ALA 284 CO 0.06 0.66 0.14 0.00 0.00 0.00 0.00 179.25 180.10 3fyy h ALA 285 N 1.19 1.02 -0.37 0.00 0.00 -0.88 -2.19 119.26 118.03 3fyy h ALA 285 Ca 0.26 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3fyy h ALA 285 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3fyy h ALA 285 CO -0.02 0.63 0.09 1.49 0.00 0.00 0.00 179.25 181.45 3fyy h GLU 286 N 0.98 0.59 -0.11 0.00 4.81 -0.35 0.17 114.58 120.66 3fyy h GLU 286 Ca 0.20 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3fyy h GLU 286 Cb 0.38 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3fyy h GLU 286 CO 0.00 0.63 -0.00 0.28 -0.73 0.00 0.00 179.01 179.19 3fyy h VAL 287 N 0.45 1.08 -0.12 0.32 2.07 -0.73 -0.75 116.25 118.57 3fyy h VAL 287 Ca 0.12 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3fyy h VAL 287 Cb 0.30 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3fyy h VAL 287 CO 0.00 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.69 3fyy n ALA 288 N -2.51 2.54 -3.21 1.67 0.00 -0.84 -4.92 120.51 113.24 3fyy n ALA 288 Ca -0.01 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.80 3fyy n ALA 288 Cb 0.15 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 18.50 3fyy n ALA 288 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3fyy n SER 289 N 0.02 -6.08 -4.58 0.00 7.64 -0.29 -5.00 113.62 105.33 3fyy n SER 289 Ca 0.15 -0.37 -0.30 0.00 1.01 0.00 0.00 58.87 59.36 3fyy n SER 289 Cb 0.25 -4.82 -0.10 0.00 -1.01 0.00 0.00 64.21 58.53 3fyy n SER 289 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3fyy s LYS 290 N -5.90 2.19 0.59 1.43 -0.14 0.52 -5.01 119.74 113.41 3fyy s LYS 290 Ca 0.40 -0.98 -0.14 0.00 -1.36 0.00 0.00 55.97 53.89 3fyy s LYS 290 Cb -0.18 -2.33 -0.04 0.00 -1.68 0.00 0.00 37.83 33.60 3fyy s LYS 290 CO 0.50 0.52 1.03 -0.51 -0.76 0.00 0.00 175.35 176.12 3fyy s ASP 291 N -2.11 6.10 0.06 2.83 -0.00 -1.22 -4.20 116.67 118.13 3fyy s ASP 291 Ca 0.21 1.60 0.04 0.00 -0.00 0.00 0.00 52.55 54.40 3fyy s ASP 291 Cb -0.11 -2.50 -0.03 0.00 -0.00 0.00 0.00 42.92 40.28 3fyy s ASP 291 CO 0.13 -0.95 -0.13 -0.69 -0.00 0.00 0.00 175.17 173.53 3fyy s VAL 292 N -2.81 0.97 0.01 -1.27 1.01 0.15 -1.03 120.40 117.44 3fyy s VAL 292 Ca 0.59 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3fyy s VAL 292 Cb -0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 3fyy s VAL 292 CO 0.43 -0.26 -0.03 0.68 0.00 0.00 0.00 175.10 175.92 3fyy s VAL 293 N -1.29 0.14 -0.09 2.92 -7.23 -0.51 -3.99 120.40 110.34 3fyy s VAL 293 Ca -0.04 -0.50 -0.24 0.00 -1.81 0.00 0.00 61.98 59.39 3fyy s VAL 293 Cb -0.10 -0.21 -0.03 0.00 0.56 0.00 0.00 36.38 36.60 3fyy s VAL 293 CO 0.02 -0.23 0.74 -0.76 -0.31 0.00 0.00 175.10 174.56 3fyy s LEU 294 N -0.76 4.28 0.00 1.32 1.43 -1.26 -0.87 118.68 122.82 3fyy s LEU 294 Ca -0.07 1.19 0.01 0.00 -1.03 0.00 0.00 54.13 54.23 3fyy s LEU 294 Cb -0.05 -3.13 0.02 0.00 0.03 0.00 0.00 46.19 43.06 3fyy s LEU 294 CO -0.00 -0.19 0.15 0.61 0.23 0.00 0.00 176.35 177.15 3fyy n GLY 295 N 3.21 1.47 3.40 -3.19 0.00 -0.34 -0.67 105.19 109.07 3fyy n GLY 295 Ca 0.00 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 3fyy n GLY 295 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fyy s THR 296 N 0.09 0.02 -0.07 2.61 -1.32 -1.26 -4.27 115.64 111.45 3fyy s THR 296 Ca 0.11 -0.20 0.01 0.00 -1.21 0.00 0.00 61.69 60.40 3fyy s THR 296 Cb -0.01 -1.03 0.02 0.00 -1.51 0.00 0.00 72.50 69.97 3fyy s THR 296 CO 0.07 -0.11 0.87 1.07 -2.21 0.00 0.00 174.62 174.31 3fyy n THR 297 N -0.02 0.71 -1.66 5.08 5.66 -1.26 -4.98 114.28 117.81 3fyy n THR 297 Ca -0.17 -0.85 -0.01 0.00 -3.05 0.00 0.00 64.05 59.97 3fyy n THR 297 Cb 0.63 0.65 0.00 0.00 -1.55 0.00 0.00 70.33 70.06 3fyy n THR 297 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3fyy n GLN 298 N -0.30 -0.17 -2.13 1.09 1.13 -1.26 -4.84 117.38 110.90 3fyy n GLN 298 Ca 0.01 0.32 -0.27 0.00 -1.94 0.00 0.00 57.00 55.12 3fyy n GLN 298 Cb 0.19 -1.91 0.08 0.00 0.11 0.00 0.00 30.24 28.71 3fyy n GLN 298 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 3fyy s GLU 299 N -3.07 2.12 0.00 -1.09 1.03 -1.26 -4.77 118.70 111.66 3fyy s GLU 299 Ca 0.02 -0.17 0.00 0.00 0.03 0.00 0.00 54.97 54.85 3fyy s GLU 299 Cb -0.00 -2.11 0.00 0.00 -0.80 0.00 0.00 34.13 31.21 3fyy s GLU 299 CO 0.07 -1.34 0.00 1.28 -1.33 0.00 0.00 175.26 173.94 3fyy n LEU 300 N -3.03 0.00 -0.21 1.83 4.77 -1.26 -3.28 117.00 115.82 3fyy n LEU 300 Ca 0.08 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 3fyy n LEU 300 Cb 0.61 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.73 3fyy n LEU 300 CO 0.53 -0.27 1.13 0.28 -1.33 0.00 0.00 177.39 177.73 3fyy h SER 301 N 0.00 0.69 -0.27 -1.43 0.02 -1.94 -0.13 113.55 110.49 3fyy h SER 301 Ca 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3fyy h SER 301 Cb 0.00 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 3fyy h SER 301 CO 0.00 0.50 0.14 0.58 -1.14 0.00 0.00 176.83 176.91 3fyy h VAL 302 N 0.81 1.14 -0.38 2.27 2.07 -1.96 0.19 116.25 120.39 3fyy h VAL 302 Ca 0.22 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 3fyy h VAL 302 Cb -0.09 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3fyy h VAL 302 CO -0.05 0.14 -0.16 1.23 0.02 0.00 0.00 177.57 178.75 3fyy h GLY 303 N 0.31 0.76 1.30 2.17 0.00 -1.86 -2.91 103.07 102.84 3fyy h GLY 303 Ca 0.09 -0.59 -0.15 0.00 0.00 0.00 0.00 47.33 46.68 3fyy h GLY 303 CO -0.01 0.54 -0.42 -0.84 0.00 0.00 0.00 176.54 175.81 3fyy h THR 304 N 0.63 1.29 -0.58 4.70 2.02 -0.78 -3.05 112.91 117.15 3fyy h THR 304 Ca 0.10 -1.60 -0.01 0.00 0.77 0.00 0.00 66.41 65.67 3fyy h THR 304 Cb 0.63 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 3fyy h THR 304 CO 0.04 0.52 0.34 0.00 0.37 0.00 0.00 175.52 176.79 3fyy h ALA 305 N 0.91 1.51 -0.55 6.16 0.00 -0.82 -1.58 119.26 124.89 3fyy h ALA 305 Ca 0.05 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3fyy h ALA 305 Cb 0.98 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 3fyy h ALA 305 CO 0.09 0.42 0.23 0.00 0.00 0.00 0.00 179.25 179.99 3fyy h ALA 306 N 1.58 0.70 -0.02 0.00 0.00 -1.40 -1.50 119.26 118.62 3fyy h ALA 306 Ca 0.21 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3fyy h ALA 306 Cb -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3fyy h ALA 306 CO -0.04 -0.16 -0.53 0.52 0.00 0.00 0.00 179.25 179.05 3fyy h MET 307 N 0.43 0.05 -0.43 0.00 2.86 -1.41 -2.05 114.93 114.38 3fyy h MET 307 Ca 0.26 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 3fyy h MET 307 Cb 0.26 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3fyy h MET 307 CO -0.24 0.56 0.24 0.00 1.06 0.00 0.00 176.91 178.53 3fyy h ALA 308 N 1.43 0.55 0.04 6.32 0.00 -0.37 0.58 119.26 127.82 3fyy h ALA 308 Ca -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3fyy h ALA 308 Cb 0.94 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3fyy h ALA 308 CO 0.07 0.08 -0.02 0.45 0.00 0.00 0.00 179.25 179.83 3fyy h HIS 309 N 0.56 -0.05 0.29 0.00 3.86 -1.25 -2.72 115.15 115.84 3fyy h HIS 309 Ca 0.15 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3fyy h HIS 309 Cb 0.06 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3fyy h HIS 309 CO -0.02 0.20 -0.22 1.25 0.86 0.00 0.00 177.93 179.99 3fyy h LEU 310 N -0.30 -0.57 -1.26 2.43 6.46 -1.16 -2.89 115.31 118.02 3fyy h LEU 310 Ca -0.01 0.04 0.14 0.00 -0.12 0.00 0.00 57.88 57.94 3fyy h LEU 310 Cb 0.28 0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.32 3fyy h LEU 310 CO 0.01 -0.34 0.58 1.23 -0.62 0.00 0.00 178.44 179.30 3fyy h GLY 311 N -0.51 1.25 0.85 3.75 0.00 0.12 -0.91 103.07 107.62 3fyy h GLY 311 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3fyy h GLY 311 CO -0.01 0.10 0.00 0.00 0.00 0.00 0.00 176.54 176.63 3fyy n SER 313 N -0.92 0.89 -4.83 0.00 3.41 -0.36 -0.06 113.62 111.75 3fyy n SER 313 Ca 0.21 -0.61 -0.37 0.00 -0.26 0.00 0.00 58.87 57.84 3fyy n SER 313 Cb 0.10 1.11 -0.06 0.00 -0.26 0.00 0.00 64.21 65.09 3fyy n SER 313 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fyy s LEU 314 N -2.79 4.40 0.00 1.04 1.43 -1.15 -4.71 118.68 116.91 3fyy s LEU 314 Ca 0.03 1.17 0.22 0.00 -1.03 0.00 0.00 54.13 54.52 3fyy s LEU 314 Cb 0.08 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.09 3fyy s LEU 314 CO 0.47 0.16 1.03 0.35 0.23 0.00 0.00 176.35 178.58 3fyy n THR 315 N 1.12 0.00 -1.52 5.49 -2.24 -1.26 -4.44 114.28 111.42 3fyy n THR 315 Ca -0.07 -0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 3fyy n THR 315 Cb 0.51 0.84 0.13 0.00 -2.10 0.00 0.00 70.33 69.71 3fyy n THR 315 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3fyy n ASN 316 N -1.43 4.28 -4.33 3.42 6.94 -1.26 -4.86 115.26 118.02 3fyy n ASN 316 Ca 0.05 -3.76 -0.40 0.00 -0.02 0.00 0.00 54.58 50.44 3fyy n ASN 316 Cb 0.34 -0.68 -0.11 0.00 -2.36 0.00 0.00 39.78 36.96 3fyy n ASN 316 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3fyy s ILE 317 N -3.88 4.34 -0.10 1.53 1.01 -1.26 -0.68 121.20 122.17 3fyy s ILE 317 Ca 0.52 -1.04 0.14 0.00 0.00 0.00 0.00 60.65 60.27 3fyy s ILE 317 Cb 0.44 -3.49 0.21 0.00 0.01 0.00 0.00 42.46 39.64 3fyy s ILE 317 CO 0.02 -0.29 1.10 0.59 0.00 0.00 0.00 174.94 176.36 3fyy n ASN 318 N 4.94 1.96 -3.86 3.58 3.02 -1.26 -5.01 115.26 118.64 3fyy n ASN 318 Ca -0.12 -2.78 -0.14 0.00 -0.03 0.00 0.00 54.58 51.52 3fyy n ASN 318 Cb 0.45 -0.34 -0.08 0.00 -0.61 0.00 0.00 39.78 39.20 3fyy n ASN 318 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3fyy s HIS 319 N -2.23 1.18 0.28 3.10 3.76 -1.26 -5.12 115.29 115.00 3fyy s HIS 319 Ca 0.23 -1.35 -0.29 0.00 -0.15 0.00 0.00 55.06 53.50 3fyy s HIS 319 Cb 0.20 -0.44 -0.10 0.00 1.11 0.00 0.00 32.58 33.36 3fyy s HIS 319 CO 0.02 -0.80 1.10 0.99 -0.85 0.00 0.00 174.74 175.20 3fyy s THR 320 N -3.84 3.46 0.56 1.30 2.01 -1.26 -4.86 115.64 113.02 3fyy s THR 320 Ca 0.36 1.47 0.09 0.00 0.31 0.00 0.00 61.69 63.93 3fyy s THR 320 Cb 0.04 -3.93 0.08 0.00 0.01 0.00 0.00 72.50 68.69 3fyy s THR 320 CO 0.16 0.35 0.77 -0.44 -0.69 0.00 0.00 174.62 174.77 3fyy s SER 321 N -0.88 5.16 -0.01 3.53 0.01 -0.06 -4.82 113.70 116.63 3fyy s SER 321 Ca 0.45 -0.79 0.11 0.00 1.31 0.00 0.00 55.95 57.03 3fyy s SER 321 Cb -0.32 0.18 -0.15 0.00 0.21 0.00 0.00 66.02 65.94 3fyy s SER 321 CO 0.41 -1.28 0.36 0.47 0.41 0.00 0.00 173.24 173.61 3fyy n ASP 322 N -2.20 1.47 -4.57 2.44 8.00 0.15 -1.14 116.55 120.70 3fyy n ASP 322 Ca 0.15 -0.38 -0.14 0.00 0.71 0.00 0.00 54.79 55.13 3fyy n ASP 322 Cb 0.61 1.26 -0.09 0.00 -0.02 0.00 0.00 41.12 42.88 3fyy n ASP 322 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3fyy s PRO 323 N -2.41 1.41 -0.18 -0.24 0.04 -1.26 -4.59 135.00 127.77 3fyy s PRO 323 Ca -0.00 0.01 0.14 0.00 0.04 0.00 0.00 61.00 61.20 3fyy s PRO 323 Cb 0.08 -4.89 0.43 0.00 0.04 0.00 0.00 34.50 30.16 3fyy s PRO 323 CO 0.46 -4.96 1.20 0.25 0.04 0.00 0.00 177.00 173.99 3fyy n THR 324 N 8.90 1.72 -0.17 1.26 -2.24 -1.26 -4.91 114.28 117.57 3fyy n THR 324 Ca 0.44 -2.88 -0.03 0.00 -2.27 0.00 0.00 64.05 59.31 3fyy n THR 324 Cb 0.45 -0.01 0.04 0.00 -2.10 0.00 0.00 70.33 68.71 3fyy n THR 324 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3fyy h GLY 325 N 1.27 0.31 0.22 3.38 0.00 -1.82 -1.92 103.07 104.50 3fyy h GLY 325 Ca -0.00 0.22 0.25 0.00 0.00 0.00 0.00 47.33 47.79 3fyy h GLY 325 CO 0.15 -0.21 0.65 -2.55 0.00 0.00 0.00 176.54 174.57 3fyy h PRO 326 N -0.04 0.00 0.00 4.80 0.11 -1.85 -0.40 132.00 134.62 3fyy h PRO 326 Ca 0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 3fyy h PRO 326 Cb 0.43 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 3fyy h PRO 326 CO -0.57 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 178.11 3fyy h GLU 327 N 0.00 0.00 0.00 1.05 4.39 -1.69 -2.91 114.58 115.42 3fyy h GLU 327 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 3fyy h GLU 327 Cb 1.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 3fyy h GLU 327 CO -0.00 0.03 -0.85 1.28 -1.16 0.00 0.00 179.01 178.31 3fyy n LEU 328 N -3.20 0.65 -4.93 1.33 4.32 -0.16 -4.92 117.00 110.09 3fyy n LEU 328 Ca -0.01 0.10 -0.28 0.00 -0.02 0.00 0.00 56.01 55.81 3fyy n LEU 328 Cb 0.23 -0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 41.86 3fyy n LEU 328 CO 0.26 -0.01 -0.06 -0.31 -1.22 0.00 0.00 177.39 176.05 3fyy s TYR 329 N -3.19 3.49 -0.91 -1.77 2.02 -1.10 -0.84 117.35 115.05 3fyy s TYR 329 Ca 0.05 0.24 0.27 0.00 -0.37 0.00 0.00 57.07 57.26 3fyy s TYR 329 Cb 0.14 -1.76 0.96 0.00 -0.40 0.00 0.00 41.96 40.90 3fyy s TYR 329 CO 0.76 0.48 1.77 1.33 -1.57 0.00 0.00 175.55 178.33 3fyy n VAL 330 N -0.41 0.17 -3.02 0.71 0.24 -0.60 -4.74 118.33 110.68 3fyy n VAL 330 Ca -0.06 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 3fyy n VAL 330 Cb 0.53 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 3fyy n VAL 330 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fyy n GLY 331 N 1.44 1.68 1.39 7.63 0.00 -1.26 -5.09 105.19 110.98 3fyy n GLY 331 Ca 0.06 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 3fyy n GLY 331 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fyy n ASP 332 N -0.42 -0.83 -0.80 1.61 4.64 -1.26 -5.00 116.55 114.49 3fyy n ASP 332 Ca 0.00 -1.56 0.05 0.00 -1.38 0.00 0.00 54.79 51.89 3fyy n ASP 332 Cb 0.00 1.38 0.17 0.00 -1.04 0.00 0.00 41.12 41.63 3fyy n ASP 332 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3fyy n VAL 333 N -0.20 1.88 -4.44 5.18 0.24 -1.26 -4.79 118.33 114.94 3fyy n VAL 333 Ca -0.03 -2.94 -0.22 0.00 -2.04 0.00 0.00 64.34 59.10 3fyy n VAL 333 Cb 0.22 -0.08 -0.10 0.00 -1.47 0.00 0.00 33.84 32.41 3fyy n VAL 333 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3fyy s VAL 334 N -2.81 2.07 0.11 3.34 -7.23 -1.26 -0.93 120.40 113.69 3fyy s VAL 334 Ca 0.38 -2.26 0.05 0.00 -1.81 0.00 0.00 61.98 58.33 3fyy s VAL 334 Cb 0.37 -2.32 -0.22 0.00 0.56 0.00 0.00 36.38 34.77 3fyy s VAL 334 CO -0.08 -0.40 1.25 0.11 -0.31 0.00 0.00 175.10 175.67 3fyy h LYS 335 N 2.31 0.06 -3.11 4.82 1.57 -1.09 -3.41 116.57 117.72 3fyy h LYS 335 Ca -0.40 -0.10 -0.62 0.00 -1.87 0.00 0.00 60.65 57.66 3fyy h LYS 335 Cb 1.24 0.04 -0.40 0.00 0.08 0.00 0.00 32.23 33.19 3fyy h LYS 335 CO 0.64 1.05 -0.72 0.54 -0.57 0.00 0.00 179.45 180.38 3fyy s ASN 336 N -6.81 3.80 0.31 0.86 4.22 -1.26 -5.06 114.94 111.01 3fyy s ASN 336 Ca -0.00 -2.64 -0.29 0.00 -2.14 0.00 0.00 52.86 47.79 3fyy s ASN 336 Cb 0.09 -1.14 -0.10 0.00 1.28 0.00 0.00 41.25 41.38 3fyy s ASN 336 CO 0.83 -0.27 1.34 -0.60 -2.04 0.00 0.00 177.10 176.36 3fyy s ARG 337 N 0.31 4.33 0.15 3.55 3.52 -1.26 -4.84 118.95 124.72 3fyy s ARG 337 Ca 0.17 2.24 -0.31 0.00 -0.13 0.00 0.00 55.73 57.69 3fyy s ARG 337 Cb -0.24 -3.08 -0.10 0.00 -1.56 0.00 0.00 34.95 29.97 3fyy s ARG 337 CO -0.01 -0.25 1.53 0.08 -0.81 0.00 0.00 175.30 175.85 3fyy s VAL 338 N -0.87 2.76 0.33 7.11 1.01 -1.26 -5.01 120.40 124.47 3fyy s VAL 338 Ca 0.51 0.55 0.05 0.00 0.00 0.00 0.00 61.98 63.09 3fyy s VAL 338 Cb -0.40 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 3fyy s VAL 338 CO 0.51 0.04 0.02 0.28 0.00 0.00 0.00 175.10 175.95 3fyy s THR 339 N 1.14 1.43 0.12 3.92 -1.32 -1.26 -4.90 115.64 114.77 3fyy s THR 339 Ca 0.69 -2.03 0.09 0.00 -1.21 0.00 0.00 61.69 59.23 3fyy s THR 339 Cb -0.42 -2.74 -0.04 0.00 -1.51 0.00 0.00 72.50 67.79 3fyy s THR 339 CO 0.31 -0.08 -0.21 -0.31 -2.21 0.00 0.00 174.62 172.12 3fyy s TYR 340 N -3.13 1.89 -0.11 9.09 2.02 -1.26 -4.68 117.35 121.17 3fyy s TYR 340 Ca 0.34 -0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 56.62 3fyy s TYR 340 Cb 0.08 -1.01 0.03 0.00 -0.40 0.00 0.00 41.96 40.66 3fyy s TYR 340 CO 0.15 0.26 -0.04 0.21 -1.57 0.00 0.00 175.55 174.57 3fyy s LYS 341 N -2.14 1.11 -1.46 -0.62 2.47 -1.01 -4.81 119.74 113.28 3fyy s LYS 341 Ca 0.10 -0.17 -0.09 0.00 -1.56 0.00 0.00 55.97 54.25 3fyy s LYS 341 Cb -0.09 -1.46 0.04 0.00 -1.46 0.00 0.00 37.83 34.86 3fyy s LYS 341 CO 0.05 -0.33 0.82 -0.25 0.16 0.00 0.00 175.35 175.80 3fyy n ASP 342 N 5.02 -5.43 -0.56 1.43 10.43 -1.26 -1.80 116.55 124.38 3fyy n ASP 342 Ca -0.10 -0.49 -0.07 0.00 2.57 0.00 0.00 54.79 56.70 3fyy n ASP 342 Cb 0.49 -4.36 -0.03 0.00 1.84 0.00 0.00 41.12 39.07 3fyy n ASP 342 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fyy n GLY 343 N -1.62 0.83 3.35 0.44 0.00 -0.86 -4.81 105.19 102.52 3fyy n GLY 343 Ca -0.03 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 3fyy n GLY 343 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fyy s TYR 344 N -2.27 2.28 -0.26 1.61 2.02 -0.74 -0.92 117.35 119.06 3fyy s TYR 344 Ca 0.00 -0.40 -0.07 0.00 -0.37 0.00 0.00 57.07 56.23 3fyy s TYR 344 Cb 0.00 -1.33 -0.01 0.00 -0.40 0.00 0.00 41.96 40.22 3fyy s TYR 344 CO 0.00 0.18 0.06 -1.17 -1.57 0.00 0.00 175.55 173.05 3fyy s LEU 345 N -1.46 3.54 0.10 -1.29 2.96 -0.29 -2.39 118.68 119.85 3fyy s LEU 345 Ca 0.12 -0.42 -0.15 0.00 -0.22 0.00 0.00 54.13 53.46 3fyy s LEU 345 Cb -0.10 -1.89 -0.07 0.00 0.50 0.00 0.00 46.19 44.64 3fyy s LEU 345 CO 0.03 -0.10 0.51 -0.31 -1.32 0.00 0.00 176.35 175.17 3fyy s TYR 346 N 1.56 3.66 0.38 5.38 2.02 -1.26 -1.51 117.35 127.58 3fyy s TYR 346 Ca 0.05 1.06 -0.27 0.00 -0.37 0.00 0.00 57.07 57.55 3fyy s TYR 346 Cb -0.16 -2.36 -0.09 0.00 -0.40 0.00 0.00 41.96 38.95 3fyy s TYR 346 CO 0.02 0.51 1.24 0.00 -1.57 0.00 0.00 175.55 175.75 3fyy s ALA 347 N -1.32 3.28 0.83 3.71 0.00 -0.89 -4.91 121.76 122.45 3fyy s ALA 347 Ca 0.33 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 53.28 3fyy s ALA 347 Cb -0.16 -3.43 0.08 0.00 0.00 0.00 0.00 23.12 19.60 3fyy s ALA 347 CO 0.18 -0.63 1.05 -2.30 0.00 0.00 0.00 175.76 174.06 3fyy n PRO 348 N 0.33 0.06 -1.68 0.00 -0.02 -1.26 -4.80 135.00 127.63 3fyy n PRO 348 Ca 0.03 0.09 -0.62 0.00 -2.02 0.00 0.00 63.50 60.98 3fyy n PRO 348 Cb 0.44 -2.31 -0.09 0.00 -0.02 0.00 0.00 33.50 31.52 3fyy n PRO 348 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3fyy n ASP 349 N -2.92 1.76 0.12 2.55 -0.08 -1.26 -4.78 116.55 111.94 3fyy n ASP 349 Ca 0.12 1.05 0.11 0.00 -1.51 0.00 0.00 54.79 54.57 3fyy n ASP 349 Cb 0.51 -1.02 0.48 0.00 2.34 0.00 0.00 41.12 43.43 3fyy n ASP 349 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3fyy n ARG 350 N 5.16 0.16 0.18 -0.67 0.63 -1.26 -1.88 116.66 118.98 3fyy n ARG 350 Ca 0.32 0.46 0.12 0.00 -0.92 0.00 0.00 57.85 57.82 3fyy n ARG 350 Cb 0.04 -1.85 0.16 0.00 0.45 0.00 0.00 32.46 31.26 3fyy n ARG 350 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 3fyy h SER 351 N 0.00 0.00 -3.51 6.15 0.02 -2.00 -3.36 113.55 110.85 3fyy h SER 351 Ca 0.00 -0.01 -0.61 0.00 -0.84 0.00 0.00 61.79 60.33 3fyy h SER 351 Cb 0.27 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.69 3fyy h SER 351 CO 0.00 0.00 0.08 -0.69 -1.14 0.00 0.00 176.83 175.08 3fyy s VAL 352 N -3.23 5.03 0.71 2.27 1.01 -0.79 -4.92 120.40 120.48 3fyy s VAL 352 Ca 0.06 1.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.92 3fyy s VAL 352 Cb 0.07 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.59 3fyy s VAL 352 CO 0.69 0.07 1.16 -1.59 0.00 0.00 0.00 175.10 175.43 3fyy s LYS 353 N 2.31 2.34 2.62 2.72 -2.85 -1.26 -4.07 119.74 121.55 3fyy s LYS 353 Ca 0.24 1.58 0.00 0.00 -1.00 0.00 0.00 55.97 56.79 3fyy s LYS 353 Cb -0.16 -1.88 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 3fyy s LYS 353 CO 0.09 -1.64 0.00 0.41 0.10 0.00 0.00 175.35 174.31 3fyy n GLY 354 N -0.05 -0.78 0.26 0.59 0.00 -0.00 -3.76 105.19 101.45 3fyy n GLY 354 Ca 0.12 -1.17 0.14 0.00 0.00 0.00 0.00 46.02 45.11 3fyy n GLY 354 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fyy h LEU 355 N 0.00 0.00 0.00 0.99 5.85 -1.86 -0.47 115.31 119.81 3fyy h LEU 355 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3fyy h LEU 355 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3fyy h LEU 355 CO 0.00 0.10 0.00 0.61 -0.34 0.00 0.00 178.44 178.81 3fyy n GLY 356 N -0.07 0.67 3.25 3.75 0.00 -1.25 -4.80 105.19 106.74 3fyy n GLY 356 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3fyy n GLY 356 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fyy s ILE 357 N -2.09 1.81 -0.04 -0.61 -1.09 -1.26 -4.88 121.20 113.03 3fyy s ILE 357 Ca 0.00 -0.97 0.07 0.00 -2.23 0.00 0.00 60.65 57.52 3fyy s ILE 357 Cb 0.00 -1.51 -0.01 0.00 -1.58 0.00 0.00 42.46 39.36 3fyy s ILE 357 CO 0.00 0.51 -0.25 -0.70 -1.23 0.00 0.00 174.94 173.27 3fyy s GLU 358 N -0.46 2.37 0.58 2.79 2.12 -1.26 -5.04 118.70 119.79 3fyy s GLU 358 Ca 0.07 -0.90 -0.16 0.00 0.36 0.00 0.00 54.97 54.33 3fyy s GLU 358 Cb -0.09 -2.09 -0.04 0.00 0.26 0.00 0.00 34.13 32.16 3fyy s GLU 358 CO -0.00 0.44 1.05 -0.51 -0.54 0.00 0.00 175.26 175.70 3fyy s LEU 359 N -0.31 3.54 -0.27 2.70 1.43 -1.26 -0.61 118.68 123.90 3fyy s LEU 359 Ca 0.01 1.82 0.03 0.00 -1.03 0.00 0.00 54.13 54.96 3fyy s LEU 359 Cb -0.12 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.63 3fyy s LEU 359 CO 0.02 -1.09 -0.07 -0.62 0.23 0.00 0.00 176.35 174.82 3fyy s ASP 360 N -2.71 4.44 0.43 2.29 3.68 -0.11 -4.49 116.67 120.21 3fyy s ASP 360 Ca 0.64 -1.52 0.13 0.00 2.13 0.00 0.00 52.55 53.93 3fyy s ASP 360 Cb -0.16 -1.52 1.02 0.00 -1.45 0.00 0.00 42.92 40.81 3fyy s ASP 360 CO 0.35 -0.23 1.98 -0.33 0.13 0.00 0.00 175.17 177.07 3fyy h GLU 361 N 7.76 0.41 -0.37 4.34 4.39 -1.96 0.38 114.58 129.54 3fyy h GLU 361 Ca -0.16 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 3fyy h GLU 361 Cb 1.04 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 3fyy h GLU 361 CO 0.47 0.27 0.08 0.77 -1.16 0.00 0.00 179.01 179.44 3fyy h SER 362 N 0.42 0.56 0.32 1.42 0.02 -1.95 -1.20 113.55 113.14 3fyy h SER 362 Ca 0.27 -0.24 -0.16 0.00 -0.84 0.00 0.00 61.79 60.83 3fyy h SER 362 Cb 0.51 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3fyy h SER 362 CO -0.08 0.66 -0.63 -0.07 -1.14 0.00 0.00 176.83 175.57 3fyy h LEU 363 N 0.45 0.34 -0.63 5.07 3.38 -1.72 -0.59 115.31 121.61 3fyy h LEU 363 Ca 0.11 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3fyy h LEU 363 Cb 0.32 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3fyy h LEU 363 CO 0.00 0.88 0.40 -0.07 0.09 0.00 0.00 178.44 179.75 3fyy h LEU 364 N 0.22 0.67 -0.31 1.67 3.38 -0.74 -1.29 115.31 118.90 3fyy h LEU 364 Ca -0.01 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 3fyy h LEU 364 Cb 1.16 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3fyy h LEU 364 CO 0.10 0.48 -0.62 0.00 0.09 0.00 0.00 178.44 178.49 3fyy h ALA 365 N 1.26 0.48 -0.38 1.53 0.00 -1.03 -2.62 119.26 118.49 3fyy h ALA 365 Ca 0.25 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.62 3fyy h ALA 365 Cb -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3fyy h ALA 365 CO -0.08 0.69 0.25 -0.22 0.00 0.00 0.00 179.25 179.89 3fyy h LYS 366 N 0.57 0.49 -0.50 0.00 3.64 -0.63 -2.74 116.57 117.41 3fyy h LYS 366 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3fyy h LYS 366 Cb 1.22 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3fyy h LYS 366 CO 0.13 0.33 0.00 0.66 -2.27 0.00 0.00 179.45 178.29 3fyy n TYR 367 N -4.83 0.71 -2.08 1.91 4.01 -0.53 -4.95 117.16 111.40 3fyy n TYR 367 Ca 0.00 -0.32 -0.41 0.00 -0.16 0.00 0.00 57.90 57.02 3fyy n TYR 367 Cb 0.03 -0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 38.97 3fyy n TYR 367 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3fyy s GLN 368 N -1.55 4.30 0.04 -0.72 0.74 -0.99 -0.16 119.66 121.32 3fyy s GLN 368 Ca 0.29 2.25 0.07 0.00 0.05 0.00 0.00 55.36 58.02 3fyy s GLN 368 Cb 0.17 -3.03 -0.02 0.00 1.10 0.00 0.00 33.01 31.22 3fyy s GLN 368 CO 0.17 -0.25 -0.19 0.08 -0.55 0.00 0.00 175.29 174.55 3fyy s VAL 369 N -1.15 1.56 0.46 1.34 1.01 -0.54 -4.74 120.40 118.34 3fyy s VAL 369 Ca 0.50 -1.17 0.17 0.00 0.00 0.00 0.00 61.98 61.48 3fyy s VAL 369 Cb -0.40 -1.37 0.22 0.00 0.00 0.00 0.00 36.38 34.83 3fyy s VAL 369 CO 0.54 0.16 2.04 1.55 0.00 0.00 0.00 175.10 179.39 3fyy h PRO 370 N 4.86 0.00 0.00 2.72 0.13 -1.96 -3.41 132.00 134.35 3fyy h PRO 370 Ca -0.42 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.73 3fyy h PRO 370 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3fyy h PRO 370 CO 0.44 0.14 0.20 -0.40 -0.23 0.00 0.00 178.00 178.15 3fyy n ASP 371 N -4.24 -1.11 -1.96 1.44 5.68 -1.26 -4.99 116.55 110.12 3fyy n ASP 371 Ca -0.02 -1.71 -0.12 0.00 -0.50 0.00 0.00 54.79 52.44 3fyy n ASP 371 Cb 0.21 1.83 0.25 0.00 -1.14 0.00 0.00 41.12 42.28 3fyy n ASP 371 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3fyy n LEU 372 N 0.00 6.07 -4.75 -2.12 4.77 -1.26 -4.93 117.00 114.78 3fyy n LEU 372 Ca -0.03 -3.41 -0.33 0.00 -0.03 0.00 0.00 56.01 52.21 3fyy n LEU 372 Cb 0.31 -0.76 0.07 0.00 -2.33 0.00 0.00 43.42 40.71 3fyy n LEU 372 CO 0.13 0.93 0.76 -0.94 -1.33 0.00 0.00 177.39 176.94 3fyy s SER 373 N -1.31 4.58 0.53 -1.43 1.04 -1.26 -4.73 113.70 111.12 3fyy s SER 373 Ca 0.54 2.14 -0.07 0.00 0.48 0.00 0.00 55.95 59.04 3fyy s SER 373 Cb 0.45 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.97 3fyy s SER 373 CO 0.11 -1.99 0.88 0.26 0.98 0.00 0.00 173.24 173.48 3fyy s TRP 374 N -2.26 3.57 0.00 5.02 0.52 -1.26 -5.09 118.94 119.45 3fyy s TRP 374 Ca 0.69 0.97 0.00 0.00 0.02 0.00 0.00 56.10 57.78 3fyy s TRP 374 Cb -0.24 -2.46 0.00 0.00 -1.15 0.00 0.00 33.47 29.62 3fyy s TRP 374 CO 0.45 -0.44 0.47 -0.25 0.02 0.00 0.00 176.95 177.19