#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 0.25 -0.06 2.12 -2.85 -1.26 -4.10 119.74 113.83 3fyy s LYS 2 Ca 0.00 -0.42 -0.30 0.00 -1.00 0.00 0.00 55.97 54.25 3fyy s LYS 2 Cb 0.00 0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.83 3fyy s LYS 2 CO 0.00 -0.04 1.22 0.42 0.10 0.00 0.00 175.35 177.05 3fyy s ILE 3 N -1.05 4.21 -0.03 3.79 1.01 -0.08 -1.76 121.20 127.29 3fyy s ILE 3 Ca -0.12 1.53 0.10 0.00 0.00 0.00 0.00 60.65 62.17 3fyy s ILE 3 Cb -0.07 -3.99 -0.16 0.00 0.01 0.00 0.00 42.46 38.26 3fyy s ILE 3 CO -0.01 -0.01 0.20 0.35 0.00 0.00 0.00 174.94 175.47 3fyy n THR 4 N 4.69 0.10 -3.77 2.92 -2.24 0.52 0.04 114.28 116.55 3fyy n THR 4 Ca 0.11 -0.27 -0.07 0.00 -2.27 0.00 0.00 64.05 61.55 3fyy n THR 4 Cb 0.46 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 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 -3.36 -0.30 -0.07 3.42 2.15 -1.10 -4.94 116.67 112.47 3fyy s ASP 5 Ca -0.04 -0.47 -0.06 0.00 0.43 0.00 0.00 52.55 52.41 3fyy s ASP 5 Cb 0.06 0.67 0.02 0.00 -0.30 0.00 0.00 42.92 43.37 3fyy s ASP 5 CO 0.43 -1.21 0.17 -0.22 -0.17 0.00 0.00 175.17 174.17 3fyy s LEU 6 N -2.88 1.21 -0.01 -1.34 2.96 -1.26 -1.32 118.68 116.03 3fyy s LEU 6 Ca 0.09 0.35 0.05 0.00 -0.22 0.00 0.00 54.13 54.41 3fyy s LEU 6 Cb -0.04 0.58 -0.01 0.00 0.50 0.00 0.00 46.19 47.21 3fyy s LEU 6 CO 0.03 -0.08 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.21 3fyy s GLU 7 N 0.28 1.31 -0.17 1.98 2.02 -0.22 -5.00 118.70 118.89 3fyy s GLU 7 Ca -0.02 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.39 3fyy s GLU 7 Cb -0.03 -1.27 0.04 0.00 0.10 0.00 0.00 34.13 32.97 3fyy s GLU 7 CO -0.01 0.35 -0.08 -0.51 0.02 0.00 0.00 175.26 175.03 3fyy s LEU 8 N -0.40 1.81 -0.31 1.80 1.43 -1.26 -1.84 118.68 119.91 3fyy s LEU 8 Ca 0.06 -0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 52.41 3fyy s LEU 8 Cb -0.06 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.15 3fyy s LEU 8 CO -0.01 -0.16 0.07 -1.00 0.23 0.00 0.00 176.35 175.49 3fyy s HIS 9 N 1.55 3.19 -0.01 0.29 3.76 -0.23 -4.94 115.29 118.90 3fyy s HIS 9 Ca 0.01 -1.30 -0.28 0.00 -0.15 0.00 0.00 55.06 53.33 3fyy s HIS 9 Cb -0.15 -2.23 -0.03 0.00 1.11 0.00 0.00 32.58 31.27 3fyy s HIS 9 CO -0.08 -0.68 0.90 0.00 -0.85 0.00 0.00 174.74 174.04 3fyy s ALA 10 N 1.42 3.21 0.06 -1.40 0.00 -1.26 -0.29 121.76 123.50 3fyy s ALA 10 Ca -0.00 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.43 3fyy s ALA 10 Cb -0.18 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3fyy s ALA 10 CO 0.02 -0.18 -0.10 0.14 0.00 0.00 0.00 175.76 175.63 3fyy s VAL 11 N 0.90 0.77 -0.20 0.00 -7.23 -0.29 -1.10 120.40 113.23 3fyy s VAL 11 Ca 0.48 -1.27 -0.00 0.00 -1.81 0.00 0.00 61.98 59.38 3fyy s VAL 11 Cb -0.20 -0.90 0.05 0.00 0.56 0.00 0.00 36.38 35.89 3fyy s VAL 11 CO 0.25 -0.39 -0.04 -0.83 -0.31 0.00 0.00 175.10 173.79 3fyy s GLY 12 N -1.82 1.09 -0.22 2.32 0.00 0.02 -1.04 107.32 107.67 3fyy s GLY 12 Ca -0.04 -1.08 -0.03 0.00 0.00 0.00 0.00 44.72 43.57 3fyy s GLY 12 CO 0.01 1.00 -0.07 -0.42 0.00 0.00 0.00 173.10 173.62 3fyy s ILE 13 N 1.54 3.13 0.56 0.90 1.01 -0.83 -4.84 121.20 122.66 3fyy s ILE 13 Ca -0.03 -0.62 -0.19 0.00 0.00 0.00 0.00 60.65 59.82 3fyy s ILE 13 Cb -0.17 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 3fyy s ILE 13 CO -0.07 0.42 1.13 -2.16 0.00 0.00 0.00 174.94 174.25 3fyy s PRO 14 N 1.44 3.29 0.55 2.79 0.04 -1.26 -2.86 135.00 138.98 3fyy s PRO 14 Ca 0.05 1.58 -0.03 0.00 0.04 0.00 0.00 61.00 62.64 3fyy s PRO 14 Cb -0.14 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.41 3fyy s PRO 14 CO -0.05 -0.90 0.82 1.03 0.04 0.00 0.00 177.00 177.95 3fyy s ARG 15 N -3.39 2.91 0.61 4.56 0.52 0.25 -1.88 118.95 122.52 3fyy s ARG 15 Ca 0.72 -0.23 0.32 0.00 -0.52 0.00 0.00 55.73 56.01 3fyy s ARG 15 Cb -0.23 -2.38 1.86 0.00 0.52 0.00 0.00 34.95 34.72 3fyy s ARG 15 CO 0.29 -0.58 2.22 0.45 0.02 0.00 0.00 175.30 177.69 3fyy h HIS 16 N 0.01 0.00 0.00 -0.53 3.86 -1.34 -0.63 115.15 116.53 3fyy h HIS 16 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 3fyy h HIS 16 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 3fyy h HIS 16 CO 0.45 0.00 -0.04 1.79 0.86 0.00 0.00 177.93 180.99 3fyy h THR 17 N 0.00 0.00 0.00 2.45 1.35 -1.92 -3.48 112.91 111.31 3fyy h THR 17 Ca 0.03 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3fyy h THR 17 Cb 0.17 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3fyy h THR 17 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3fyy n GLY 18 N 1.27 1.25 3.75 5.82 0.00 -0.24 -5.09 105.19 111.95 3fyy n GLY 18 Ca 0.05 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3fyy n GLY 18 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fyy s PHE 19 N -0.68 3.05 -0.52 1.61 2.19 -1.26 -4.57 117.98 117.80 3fyy s PHE 19 Ca 0.00 1.09 -0.14 0.00 0.33 0.00 0.00 56.93 58.22 3fyy s PHE 19 Cb 0.00 -3.78 0.13 0.00 -1.31 0.00 0.00 43.02 38.06 3fyy s PHE 19 CO 0.00 -2.48 0.44 0.08 1.83 0.00 0.00 175.22 175.10 3fyy s VAL 20 N -0.11 4.85 0.28 3.12 1.01 -1.26 -0.59 120.40 127.70 3fyy s VAL 20 Ca 0.58 -1.61 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 3fyy s VAL 20 Cb -0.41 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 3fyy s VAL 20 CO 0.44 -0.84 1.05 0.20 0.00 0.00 0.00 175.10 175.95 3fyy s ASN 21 N 3.27 7.32 -0.15 3.32 0.01 -1.14 -4.80 114.94 122.77 3fyy s ASN 21 Ca 0.04 2.14 -0.06 0.00 -0.71 0.00 0.00 52.86 54.27 3fyy s ASN 21 Cb -0.29 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.72 3fyy s ASN 21 CO 0.02 -0.10 0.05 -0.54 -1.51 0.00 0.00 177.10 175.02 3fyy s LYS 22 N -1.52 3.68 0.28 -0.60 1.02 -1.26 -1.97 119.74 119.38 3fyy s LYS 22 Ca 0.45 -0.34 0.03 0.00 0.02 0.00 0.00 55.97 56.13 3fyy s LYS 22 Cb -0.29 -3.10 -0.06 0.00 -0.52 0.00 0.00 37.83 33.86 3fyy s LYS 22 CO 0.37 0.43 0.05 -1.01 -0.92 0.00 0.00 175.35 174.26 3fyy s HIS 23 N -0.08 1.76 -0.12 3.18 3.76 -0.21 -0.57 115.29 123.01 3fyy s HIS 23 Ca 0.06 -1.00 -0.01 0.00 -0.15 0.00 0.00 55.06 53.97 3fyy s HIS 23 Cb -0.12 -1.09 0.03 0.00 1.11 0.00 0.00 32.58 32.51 3fyy s HIS 23 CO 0.01 -0.08 -0.05 0.08 -0.85 0.00 0.00 174.74 173.85 3fyy s VAL 24 N -3.43 0.87 -0.01 -0.90 1.01 -0.87 -1.14 120.40 115.92 3fyy s VAL 24 Ca 0.35 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.82 3fyy s VAL 24 Cb 0.08 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 3fyy s VAL 24 CO 0.13 0.27 0.69 -0.63 0.00 0.00 0.00 175.10 175.56 3fyy s ILE 25 N 1.76 4.91 -0.10 2.22 -1.09 0.60 -0.29 121.20 129.21 3fyy s ILE 25 Ca 0.04 1.45 -0.02 0.00 -2.23 0.00 0.00 60.65 59.88 3fyy s ILE 25 Cb -0.13 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.68 3fyy s ILE 25 CO -0.07 0.33 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.28 3fyy s VAL 26 N 0.26 4.26 -0.10 2.92 1.01 0.34 -1.07 120.40 128.02 3fyy s VAL 26 Ca 0.36 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3fyy s VAL 26 Cb -0.19 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.41 3fyy s VAL 26 CO 0.19 0.58 -0.10 -0.54 0.00 0.00 0.00 175.10 175.24 3fyy s LYS 27 N -0.64 1.61 -0.25 2.72 1.02 -0.77 -0.89 119.74 122.54 3fyy s LYS 27 Ca 0.10 -0.32 -0.01 0.00 0.02 0.00 0.00 55.97 55.76 3fyy s LYS 27 Cb -0.12 -1.53 0.03 0.00 -0.52 0.00 0.00 37.83 35.70 3fyy s LYS 27 CO 0.02 -0.15 -0.06 0.42 -0.92 0.00 0.00 175.35 174.66 3fyy s ILE 28 N 1.30 2.85 0.15 2.17 1.01 0.18 -1.06 121.20 127.80 3fyy s ILE 28 Ca -0.03 -1.09 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 3fyy s ILE 28 Cb -0.14 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 3fyy s ILE 28 CO -0.04 0.16 0.37 -1.00 0.00 0.00 0.00 174.94 174.43 3fyy s HIS 29 N 1.31 3.48 0.39 3.97 3.76 -0.44 -1.12 115.29 126.63 3fyy s HIS 29 Ca -0.01 0.50 0.04 0.00 -0.15 0.00 0.00 55.06 55.44 3fyy s HIS 29 Cb -0.17 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.51 3fyy s HIS 29 CO -0.04 0.43 0.07 0.95 -0.85 0.00 0.00 174.74 175.30 3fyy s THR 30 N -1.70 1.01 -0.45 1.30 -4.23 -1.05 -0.35 115.64 110.17 3fyy s THR 30 Ca 0.40 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.17 3fyy s THR 30 Cb -0.12 -2.55 0.28 0.00 1.34 0.00 0.00 72.50 71.45 3fyy s THR 30 CO 0.26 0.00 1.76 -2.24 -0.54 0.00 0.00 174.62 173.86 3fyy h ASP 31 N 1.86 0.00 -0.69 3.99 2.03 -1.68 -2.90 116.42 119.03 3fyy h ASP 31 Ca -0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 3fyy h ASP 31 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 3fyy h ASP 31 CO 0.66 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 178.25 3fyy n GLU 32 N -2.38 2.70 -0.92 4.15 1.02 -1.26 -4.95 120.64 119.00 3fyy n GLU 32 Ca 0.03 -2.62 0.00 0.00 -0.02 0.00 0.00 57.16 54.54 3fyy n GLU 32 Cb 0.29 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.65 0.92 3.74 0.62 0.00 -1.10 -5.02 105.19 106.01 3fyy n GLY 33 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 4.43 -0.09 0.99 1.43 -1.26 -4.88 118.68 119.30 3fyy s LEU 34 Ca 0.00 1.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.55 3fyy s LEU 34 Cb 0.00 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 43.02 3fyy s LEU 34 CO 0.00 0.00 -0.21 -0.89 0.23 0.00 0.00 176.35 175.48 3fyy s THR 35 N 0.04 1.83 -0.12 5.49 2.01 -1.26 -2.53 115.64 121.11 3fyy s THR 35 Ca 0.38 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 3fyy s THR 35 Cb -0.20 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 3fyy s THR 35 CO 0.22 0.51 0.17 -0.83 -0.69 0.00 0.00 174.62 174.00 3fyy s GLY 36 N 0.44 2.18 -0.01 4.40 0.00 -0.28 -4.70 107.32 109.36 3fyy s GLY 36 Ca -0.17 -0.60 0.05 0.00 0.00 0.00 0.00 44.72 43.99 3fyy s GLY 36 CO 0.07 -0.26 -0.14 -0.26 0.00 0.00 0.00 173.10 172.51 3fyy s ILE 37 N -0.86 3.08 0.31 0.90 -4.36 -1.26 -0.65 121.20 118.36 3fyy s ILE 37 Ca 0.15 -0.87 0.01 0.00 -0.26 0.00 0.00 60.65 59.68 3fyy s ILE 37 Cb -0.12 -2.26 -0.00 0.00 1.25 0.00 0.00 42.46 41.33 3fyy s ILE 37 CO 0.04 0.48 0.37 0.61 0.24 0.00 0.00 174.94 176.69 3fyy n GLY 38 N 1.95 2.50 2.95 6.27 0.00 -0.06 -4.00 105.19 114.79 3fyy n GLY 38 Ca -0.16 -1.68 -0.15 0.00 0.00 0.00 0.00 46.02 44.02 3fyy n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fyy s GLU 39 N -2.88 0.11 -0.92 1.61 2.12 -1.26 -0.50 118.70 116.97 3fyy s GLU 39 Ca 0.29 0.66 -0.19 0.00 0.36 0.00 0.00 54.97 56.10 3fyy s GLU 39 Cb 0.00 -0.13 0.13 0.00 0.26 0.00 0.00 34.13 34.39 3fyy s GLU 39 CO 0.21 -0.28 1.13 -1.64 -0.54 0.00 0.00 175.26 174.13 3fyy s MET 40 N 2.28 3.59 0.19 4.30 -1.94 0.60 -3.82 119.30 124.49 3fyy s MET 40 Ca 0.01 -1.72 -0.30 0.00 -1.71 0.00 0.00 55.69 51.97 3fyy s MET 40 Cb -0.12 -4.91 -0.08 0.00 2.01 0.00 0.00 34.83 31.73 3fyy s MET 40 CO -0.07 -1.79 1.23 -1.12 -0.01 0.00 0.00 175.02 173.26 3fyy s SER 41 N 3.68 7.03 -0.22 3.03 0.01 -1.26 -2.06 113.70 123.91 3fyy s SER 41 Ca 0.33 2.28 -0.17 0.00 1.31 0.00 0.00 55.95 59.70 3fyy s SER 41 Cb -0.05 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.60 3fyy s SER 41 CO -0.09 -0.42 0.30 -0.67 0.41 0.00 0.00 173.24 172.77 3fyy n ASP 42 N 2.53 -6.20 -0.03 2.44 4.64 -1.24 -4.89 116.55 113.80 3fyy n ASP 42 Ca 0.05 0.20 0.14 0.00 -1.38 0.00 0.00 54.79 53.80 3fyy n ASP 42 Cb 0.44 -1.85 0.63 0.00 -1.04 0.00 0.00 41.12 39.30 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 0.59 0.00 -1.09 -0.67 3.01 0.27 -4.50 117.46 115.07 3fyy n PHE 43 Ca -0.03 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.13 3fyy n PHE 43 Cb 0.56 -0.33 -0.05 0.00 -0.01 0.00 0.00 39.48 39.65 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 -1.30 7.11 -4.20 4.37 7.64 -1.26 -4.83 113.62 121.15 3fyy n SER 44 Ca 0.11 -2.47 -0.13 0.00 1.01 0.00 0.00 58.87 57.39 3fyy n SER 44 Cb 0.29 -1.39 -0.10 0.00 -1.01 0.00 0.00 64.21 62.00 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 2.29 1.07 0.80 1.43 3.76 -1.26 -5.02 115.29 118.36 3fyy s HIS 45 Ca 0.61 -0.78 -0.12 0.00 -0.15 0.00 0.00 55.06 54.62 3fyy s HIS 45 Cb 0.18 -0.58 0.08 0.00 1.11 0.00 0.00 32.58 33.37 3fyy s HIS 45 CO -0.04 -0.02 1.14 -0.51 -0.85 0.00 0.00 174.74 174.46 3fyy s LEU 46 N -2.90 3.07 0.68 0.89 2.01 -1.26 -4.61 118.68 116.55 3fyy s LEU 46 Ca 0.12 2.10 -0.16 0.00 0.01 0.00 0.00 54.13 56.20 3fyy s LEU 46 Cb 0.02 -4.56 0.01 0.00 0.01 0.00 0.00 46.19 41.67 3fyy s LEU 46 CO -0.01 -2.43 1.17 -2.16 1.01 0.00 0.00 176.35 173.92 3fyy s PRO 47 N -4.49 2.55 0.00 1.29 0.04 -1.26 -4.77 135.00 128.36 3fyy s PRO 47 Ca 0.67 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 63.31 3fyy s PRO 47 Cb -0.22 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 3fyy s PRO 47 CO 0.53 -1.49 2.11 -0.11 0.04 0.00 0.00 177.00 178.08 3fyy n LEU 48 N -2.38 3.52 -4.31 -3.56 7.94 -1.26 -4.78 117.00 112.17 3fyy n LEU 48 Ca 0.12 -2.03 -0.16 0.00 -1.11 0.00 0.00 56.01 52.83 3fyy n LEU 48 Cb 0.51 -0.87 -0.10 0.00 0.53 0.00 0.00 43.42 43.48 3fyy n LEU 48 CO 0.47 0.86 -0.34 -0.72 -1.11 0.00 0.00 177.39 176.54 3fyy s TYR 49 N 1.29 1.47 0.08 1.96 -0.85 -1.26 -5.03 117.35 115.01 3fyy s TYR 49 Ca 0.28 -0.91 0.07 0.00 -0.52 0.00 0.00 57.07 55.98 3fyy s TYR 49 Cb 0.13 -0.83 -0.03 0.00 0.38 0.00 0.00 41.96 41.61 3fyy s TYR 49 CO 0.00 -0.05 -0.17 -1.54 -1.52 0.00 0.00 175.55 172.27 3fyy s SER 50 N -3.27 2.08 0.09 -0.18 1.04 -1.26 -4.99 113.70 107.21 3fyy s SER 50 Ca 0.26 -0.64 -0.22 0.00 0.48 0.00 0.00 55.95 55.83 3fyy s SER 50 Cb 0.05 -0.10 -0.07 0.00 0.10 0.00 0.00 66.02 66.01 3fyy s SER 50 CO 0.07 -0.01 0.67 -0.69 0.98 0.00 0.00 173.24 174.26 3fyy s VAL 51 N -1.19 4.63 -0.40 5.02 1.01 -1.26 -5.02 120.40 123.18 3fyy s VAL 51 Ca 0.02 1.44 -0.29 0.00 0.00 0.00 0.00 61.98 63.16 3fyy s VAL 51 Cb -0.10 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.28 3fyy s VAL 51 CO 0.03 0.50 1.32 -0.62 0.00 0.00 0.00 175.10 176.33 3fyy s ASP 52 N -0.85 6.49 0.43 3.32 -1.08 -1.26 -4.62 116.67 119.09 3fyy s ASP 52 Ca 0.33 0.83 0.23 0.00 -0.52 0.00 0.00 52.55 53.42 3fyy s ASP 52 Cb -0.21 -2.54 0.87 0.00 -1.46 0.00 0.00 42.92 39.58 3fyy s ASP 52 CO 0.22 -1.31 1.81 -0.07 0.52 0.00 0.00 175.17 176.34 3fyy h LEU 53 N 11.65 0.00 -0.08 -1.34 3.38 -1.97 -0.85 115.31 126.11 3fyy h LEU 53 Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3fyy h LEU 53 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3fyy h LEU 53 CO 1.08 0.26 -0.09 0.45 0.09 0.00 0.00 178.44 180.23 3fyy h HIS 54 N 0.00 0.25 -0.65 1.13 3.86 -1.99 -0.43 115.15 117.31 3fyy h HIS 54 Ca -0.00 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 3fyy h HIS 54 Cb 0.78 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.17 3fyy h HIS 54 CO 0.00 0.66 0.29 0.22 0.86 0.00 0.00 177.93 179.96 3fyy h ASP 55 N -0.24 0.88 -0.60 2.45 3.58 -1.95 -2.79 116.42 117.75 3fyy h ASP 55 Ca 0.01 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 3fyy h ASP 55 Cb 0.63 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 3fyy h ASP 55 CO 0.02 0.78 0.29 0.25 -2.88 0.00 0.00 179.24 177.70 3fyy h LEU 56 N 0.91 0.79 -1.09 2.28 5.85 -1.07 -1.39 115.31 121.59 3fyy h LEU 56 Ca 0.22 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3fyy h LEU 56 Cb 0.16 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 3fyy h LEU 56 CO -0.02 0.70 0.61 0.50 -0.34 0.00 0.00 178.44 179.89 3fyy h LYS 57 N 0.82 1.15 -0.14 1.25 3.64 -0.93 0.02 116.57 122.38 3fyy h LYS 57 Ca 0.21 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3fyy h LYS 57 Cb 0.12 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3fyy h LYS 57 CO -0.03 0.76 0.03 1.96 -2.27 0.00 0.00 179.45 179.90 3fyy h GLN 58 N 1.18 0.23 -0.19 1.90 1.08 -1.16 -0.38 115.11 117.77 3fyy h GLN 58 Ca 0.37 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 3fyy h GLN 58 Cb -0.00 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3fyy h GLN 58 CO -0.11 0.40 0.12 0.78 -0.95 0.00 0.00 178.83 179.07 3fyy h GLY 59 N 0.02 0.27 1.48 3.46 0.00 -0.79 -1.87 103.07 105.63 3fyy h GLY 59 Ca 0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 3fyy h GLY 59 CO 0.00 0.10 -0.05 1.41 0.00 0.00 0.00 176.54 178.01 3fyy h LEU 60 N 0.24 0.61 -0.51 3.11 3.38 -0.98 -2.72 115.31 118.44 3fyy h LEU 60 Ca 0.07 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3fyy h LEU 60 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3fyy h LEU 60 CO -0.01 0.71 0.05 -0.07 0.09 0.00 0.00 178.44 179.21 3fyy h LEU 61 N 0.60 0.84 -1.68 1.67 3.38 -0.84 -0.14 115.31 119.15 3fyy h LEU 61 Ca 0.12 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3fyy h LEU 61 Cb 0.45 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3fyy h LEU 61 CO 0.02 0.91 0.25 0.77 0.09 0.00 0.00 178.44 180.48 3fyy h SER 62 N 0.74 0.37 -0.01 -0.43 4.64 -1.09 0.36 113.55 118.13 3fyy h SER 62 Ca 0.15 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 3fyy h SER 62 Cb 0.45 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3fyy h SER 62 CO 0.02 0.26 -0.26 0.40 -0.87 0.00 0.00 176.83 176.38 3fyy h ILE 63 N 0.43 1.51 0.00 0.95 1.08 -1.14 -3.38 117.51 116.97 3fyy h ILE 63 Ca 0.15 -1.87 -0.25 0.00 -0.39 0.00 0.00 64.86 62.49 3fyy h ILE 63 Cb 0.05 2.65 -0.04 0.00 -3.07 0.00 0.00 36.82 36.42 3fyy h ILE 63 CO -0.03 0.52 -1.37 -0.07 -0.69 0.00 0.00 178.15 176.50 3fyy h LEU 64 N -0.42 0.00 -9.21 1.44 3.38 -0.66 -3.46 115.31 106.39 3fyy h LEU 64 Ca -0.03 -0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.23 3fyy h LEU 64 Cb 0.98 -0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.77 3fyy h LEU 64 CO 0.05 1.00 0.72 -0.11 0.09 0.00 0.00 178.44 180.20 3fyy n LEU 65 N -3.19 2.12 0.00 1.67 7.94 0.12 -1.20 117.00 124.46 3fyy n LEU 65 Ca -0.09 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 3fyy n LEU 65 Cb 1.00 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.78 3fyy n LEU 65 CO 0.46 -0.67 0.00 0.61 -1.11 0.00 0.00 177.39 176.68 3fyy n GLY 66 N 3.50 1.14 3.86 -3.96 0.00 0.11 -4.95 105.19 104.89 3fyy n GLY 66 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.02 3.77 -0.36 1.61 -0.21 -0.34 -4.58 119.66 119.53 3fyy s GLN 67 Ca 0.00 0.72 -0.23 0.00 0.02 0.00 0.00 55.36 55.87 3fyy s GLN 67 Cb 0.00 -2.20 0.01 0.00 1.00 0.00 0.00 33.01 31.82 3fyy s GLN 67 CO 0.00 -0.30 0.76 1.21 -2.12 0.00 0.00 175.29 174.84 3fyy s ASN 68 N -3.51 6.53 0.63 5.90 3.04 -1.26 -0.90 114.94 125.37 3fyy s ASN 68 Ca 0.55 0.31 0.29 0.00 0.04 0.00 0.00 52.86 54.04 3fyy s ASN 68 Cb -0.10 -2.38 1.52 0.00 -1.54 0.00 0.00 41.25 38.75 3fyy s ASN 68 CO 0.39 -0.71 1.89 1.55 -3.04 0.00 0.00 177.10 177.18 3fyy h PRO 69 N 8.49 0.00 0.00 0.43 0.13 -1.95 0.50 132.00 139.60 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 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3fyy h PRO 69 CO 0.90 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.86 3fyy n PHE 70 N -3.29 0.19 -1.68 1.56 3.72 -1.26 -4.05 117.46 112.65 3fyy n PHE 70 Ca 0.03 0.06 -0.40 0.00 -0.05 0.00 0.00 57.45 57.09 3fyy n PHE 70 Cb 0.52 -0.60 -0.02 0.00 -0.94 0.00 0.00 39.48 38.45 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 -1.66 7.86 -0.31 4.37 8.00 0.16 -4.71 116.55 130.27 3fyy n ASP 71 Ca 0.05 -2.85 -0.05 0.00 0.71 0.00 0.00 54.79 52.65 3fyy n ASP 71 Cb 0.28 -1.49 0.08 0.00 -0.02 0.00 0.00 41.12 39.97 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 6.75 1.11 -0.34 0.64 3.38 -1.83 -0.06 115.31 124.96 3fyy h LEU 72 Ca 0.75 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.54 3fyy h LEU 72 Cb 0.34 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3fyy h LEU 72 CO 1.67 0.94 0.02 0.24 0.09 0.00 0.00 178.44 181.40 3fyy h MET 73 N 1.21 0.58 0.05 1.13 2.86 -1.96 0.07 114.93 118.88 3fyy h MET 73 Ca 0.29 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3fyy h MET 73 Cb 0.12 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3fyy h MET 73 CO -0.04 0.69 -0.02 -0.22 1.06 0.00 0.00 176.91 178.38 3fyy h LYS 74 N 0.40 -0.07 -0.50 1.72 3.64 -1.92 -1.90 116.57 117.94 3fyy h LYS 74 Ca 0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3fyy h LYS 74 Cb 0.41 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3fyy h LYS 74 CO 0.01 0.20 0.31 0.82 -2.27 0.00 0.00 179.45 178.52 3fyy h ILE 75 N -0.33 1.15 -0.22 2.00 2.04 -0.99 -2.19 117.51 118.96 3fyy h ILE 75 Ca -0.01 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 3fyy h ILE 75 Cb 0.30 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3fyy h ILE 75 CO 0.01 0.15 -0.08 0.78 0.00 0.00 0.00 178.15 179.01 3fyy h ASN 76 N 0.67 0.33 -0.56 1.72 2.35 -0.95 0.06 115.58 119.21 3fyy h ASN 76 Ca 0.18 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3fyy h ASN 76 Cb -0.03 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3fyy h ASN 76 CO -0.04 0.45 0.15 0.50 -1.65 0.00 0.00 177.43 176.84 3fyy h LYS 77 N 0.33 0.88 -0.48 0.81 1.63 -0.96 -0.51 116.57 118.27 3fyy h LYS 77 Ca 0.07 -0.21 -0.12 0.00 -0.85 0.00 0.00 60.65 59.54 3fyy h LYS 77 Cb 0.36 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 3fyy h LYS 77 CO 0.02 0.82 -0.17 0.93 -3.45 0.00 0.00 179.45 177.60 3fyy h GLU 78 N 0.79 0.97 -0.44 1.90 5.08 -0.76 -0.30 114.58 121.82 3fyy h GLU 78 Ca 0.18 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3fyy h GLU 78 Cb 0.33 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3fyy h GLU 78 CO -0.00 1.07 0.29 -0.07 -1.00 0.00 0.00 179.01 179.29 3fyy h LEU 79 N 0.82 0.50 -1.04 1.33 3.38 -0.77 -1.79 115.31 117.75 3fyy h LEU 79 Ca 0.12 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3fyy h LEU 79 Cb 0.74 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3fyy h LEU 79 CO 0.06 0.36 -0.10 0.74 0.09 0.00 0.00 178.44 179.58 3fyy h THR 80 N 0.59 1.23 -0.84 0.22 2.02 -0.91 0.32 112.91 115.54 3fyy h THR 80 Ca 0.16 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.33 3fyy h THR 80 Cb -0.06 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 3fyy h THR 80 CO -0.04 0.34 0.54 0.44 0.37 0.00 0.00 175.52 177.18 3fyy h ASP 81 N 0.53 0.92 0.90 4.18 3.32 -0.44 -2.51 116.42 123.31 3fyy h ASP 81 Ca 0.10 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.94 3fyy h ASP 81 Cb 0.50 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 3fyy h ASP 81 CO 0.03 0.65 -1.18 0.78 -1.72 0.00 0.00 179.24 177.79 3fyy h ASN 82 N 1.08 0.00 -2.50 6.45 4.21 -0.84 -3.40 115.58 120.59 3fyy h ASN 82 Ca 0.32 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 57.24 3fyy h ASN 82 Cb -0.05 0.00 -0.41 0.00 -1.12 0.00 0.00 38.32 36.75 3fyy h ASN 82 CO -0.10 0.75 -0.76 0.49 -1.29 0.00 0.00 177.43 176.53 3fyy n PHE 83 N -3.11 1.85 -1.49 1.19 3.72 0.11 -5.10 117.46 114.63 3fyy n PHE 83 Ca -0.06 -3.93 -0.37 0.00 -0.05 0.00 0.00 57.45 53.04 3fyy n PHE 83 Cb 0.89 -0.37 0.07 0.00 -0.94 0.00 0.00 39.48 39.13 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 1.74 0.69 -2.62 -1.08 -0.02 -0.96 -4.50 135.00 128.25 3fyy n PRO 84 Ca 0.25 0.29 -0.35 0.00 -2.02 0.00 0.00 63.50 61.67 3fyy n PRO 84 Cb 0.43 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 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 -3.10 4.12 -0.03 -0.52 2.02 -1.26 -4.88 118.70 115.05 3fyy s GLU 85 Ca 0.75 1.38 0.04 0.00 0.02 0.00 0.00 54.97 57.16 3fyy s GLU 85 Cb -0.37 -2.38 0.06 0.00 0.10 0.00 0.00 34.13 31.54 3fyy s GLU 85 CO 0.48 -0.16 0.89 0.25 0.02 0.00 0.00 175.26 176.75 3fyy n THR 86 N -0.36 0.71 -1.85 3.63 -2.24 -1.26 -4.98 114.28 107.93 3fyy n THR 86 Ca 0.06 -0.80 -0.18 0.00 -2.27 0.00 0.00 64.05 60.86 3fyy n THR 86 Cb 0.51 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.46 -1.56 -4.67 -0.78 2.81 -1.26 -4.95 117.12 106.24 3fyy n MET 87 Ca 0.03 1.02 -0.33 0.00 -1.81 0.00 0.00 57.70 56.61 3fyy n MET 87 Cb 0.49 -5.47 -0.15 0.00 -0.71 0.00 0.00 33.22 27.38 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 -2.69 2.78 0.17 2.03 5.04 -1.26 -4.93 117.35 118.48 3fyy s TYR 88 Ca 0.00 -0.89 -0.23 0.00 -2.44 0.00 0.00 57.07 53.51 3fyy s TYR 88 Cb 0.00 -1.86 0.07 0.00 0.35 0.00 0.00 41.96 40.52 3fyy s TYR 88 CO 0.00 -0.37 1.58 -0.92 -1.34 0.00 0.00 175.55 174.50 3fyy h TYR 89 N 7.04 -1.09 -1.04 4.97 3.20 -1.92 -2.87 116.97 125.26 3fyy h TYR 89 Ca -0.29 0.07 -0.68 0.00 3.14 0.00 0.00 58.73 60.98 3fyy h TYR 89 Cb 1.20 0.56 -0.30 0.00 1.54 0.00 0.00 36.73 39.73 3fyy h TYR 89 CO 0.50 -0.41 0.76 0.66 -1.64 0.00 0.00 178.16 178.03 3fyy n TYR 90 N -5.42 3.19 -1.87 -3.82 4.01 -1.26 -4.86 117.16 107.13 3fyy n TYR 90 Ca 0.02 -2.94 -0.42 0.00 -0.16 0.00 0.00 57.90 54.40 3fyy n TYR 90 Cb 0.35 -1.35 -0.03 0.00 -0.31 0.00 0.00 39.34 38.00 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 -3.83 4.17 0.57 -0.72 2.56 -1.08 -4.71 118.70 115.67 3fyy s GLU 91 Ca 0.63 2.38 0.32 0.00 0.00 0.00 0.00 54.97 58.31 3fyy s GLU 91 Cb 0.50 -3.88 1.75 0.00 2.00 0.00 0.00 34.13 34.50 3fyy s GLU 91 CO -0.03 -0.84 2.17 0.87 -0.56 0.00 0.00 175.26 176.87 3fyy h LYS 92 N 9.37 0.00 0.00 4.30 1.57 -1.93 -1.54 116.57 128.34 3fyy h LYS 92 Ca -0.44 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.29 3fyy h LYS 92 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 3fyy h LYS 92 CO 0.94 0.05 -0.26 0.78 -0.57 0.00 0.00 179.45 180.40 3fyy h GLY 93 N 0.58 0.00 1.03 3.86 0.00 -1.91 -2.17 103.07 104.45 3fyy h GLY 93 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3fyy h GLY 93 CO 0.01 0.00 -0.28 1.76 0.00 0.00 0.00 176.54 178.03 3fyy h SER 94 N 0.00 0.85 -0.79 0.19 0.02 -1.56 -1.39 113.55 110.87 3fyy h SER 94 Ca -0.00 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 3fyy h SER 94 Cb 0.46 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 3fyy h SER 94 CO 0.03 1.12 0.47 -0.26 -1.14 0.00 0.00 176.83 177.05 3fyy h PHE 95 N 0.60 1.05 0.33 3.45 0.04 -1.45 -0.59 116.94 120.36 3fyy h PHE 95 Ca 0.06 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 3fyy h PHE 95 Cb 0.85 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3fyy h PHE 95 CO 0.06 0.71 -0.16 0.82 -0.60 0.00 0.00 178.31 179.15 3fyy h ILE 96 N 1.09 0.70 -1.00 -0.55 2.04 -1.27 -1.88 117.51 116.64 3fyy h ILE 96 Ca 0.28 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3fyy h ILE 96 Cb -0.03 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 3fyy h ILE 96 CO -0.05 0.06 0.66 0.03 0.00 0.00 0.00 178.15 178.84 3fyy h ARG 97 N -0.59 1.25 -0.10 2.37 3.08 -1.13 -2.63 114.38 116.63 3fyy h ARG 97 Ca -0.04 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 59.97 3fyy h ARG 97 Cb 0.43 -0.28 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 3fyy h ARG 97 CO 0.07 0.83 -0.19 -0.97 -1.07 0.00 0.00 179.97 178.64 3fyy h ASN 98 N 1.29 -0.59 -0.90 7.04 -1.24 -0.82 0.99 115.58 121.34 3fyy h ASN 98 Ca 0.39 0.10 0.06 0.00 0.71 0.00 0.00 56.30 57.56 3fyy h ASN 98 Cb -0.04 0.27 -0.06 0.00 0.73 0.00 0.00 38.32 39.22 3fyy h ASN 98 CO -0.11 -0.25 0.57 1.23 -1.29 0.00 0.00 177.43 177.58 3fyy h GLY 99 N -0.26 1.36 0.54 1.57 0.00 -1.00 -0.43 103.07 104.85 3fyy h GLY 99 Ca 0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3fyy h GLY 99 CO -0.25 0.30 -0.10 -2.22 0.00 0.00 0.00 176.54 174.26 3fyy h ILE 100 N 1.05 0.84 -0.83 2.60 1.08 -1.13 -2.16 117.51 118.96 3fyy h ILE 100 Ca 0.39 -0.85 0.05 0.00 -0.39 0.00 0.00 64.86 64.06 3fyy h ILE 100 Cb 0.15 1.30 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 3fyy h ILE 100 CO -0.17 0.17 0.52 -0.78 -0.69 0.00 0.00 178.15 177.20 3fyy h ASP 101 N -0.75 0.83 0.10 1.72 3.58 -0.68 -1.01 116.42 120.22 3fyy h ASP 101 Ca -0.03 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.34 3fyy h ASP 101 Cb 0.50 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 3fyy h ASP 101 CO 0.05 0.55 -0.28 0.78 -2.88 0.00 0.00 179.24 177.46 3fyy h ASN 102 N 0.97 0.28 -0.08 2.28 2.35 -1.13 -1.83 115.58 118.43 3fyy h ASN 102 Ca 0.35 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.88 3fyy h ASN 102 Cb 0.10 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3fyy h ASN 102 CO -0.15 0.57 -0.34 0.00 -1.65 0.00 0.00 177.43 175.86 3fyy h ALA 103 N 1.46 0.91 -0.40 -0.83 0.00 -0.64 -2.50 119.26 117.26 3fyy h ALA 103 Ca 0.04 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 3fyy h ALA 103 Cb 0.63 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3fyy h ALA 103 CO 0.05 0.62 -0.06 -0.07 0.00 0.00 0.00 179.25 179.79 3fyy h LEU 104 N 0.48 0.66 -0.22 0.00 3.38 -0.55 -0.34 115.31 118.73 3fyy h LEU 104 Ca 0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3fyy h LEU 104 Cb 0.83 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3fyy h LEU 104 CO 0.07 0.77 0.06 0.45 0.09 0.00 0.00 178.44 179.88 3fyy h HIS 105 N 0.63 0.36 -0.57 1.13 3.86 -1.05 0.09 115.15 119.60 3fyy h HIS 105 Ca 0.12 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3fyy h HIS 105 Cb 0.48 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 3fyy h HIS 105 CO 0.02 0.44 0.35 0.22 0.86 0.00 0.00 177.93 179.82 3fyy h ASP 106 N 0.18 0.57 0.35 2.45 3.58 -1.21 -0.27 116.42 122.06 3fyy h ASP 106 Ca 0.07 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 3fyy h ASP 106 Cb 0.25 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.19 3fyy h ASP 106 CO -0.00 0.40 -0.18 0.25 -2.88 0.00 0.00 179.24 176.83 3fyy h LEU 107 N 0.69 -0.42 -0.62 2.28 6.46 -0.83 0.10 115.31 122.96 3fyy h LEU 107 Ca 0.23 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 3fyy h LEU 107 Cb 0.02 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 3fyy h LEU 107 CO -0.10 -0.30 0.40 0.00 -0.62 0.00 0.00 178.44 177.82 3fyy h ALA 109 N 1.21 0.46 -0.49 0.00 0.00 -0.93 -1.42 119.26 118.08 3fyy h ALA 109 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3fyy h ALA 109 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3fyy h ALA 109 CO -0.05 -0.11 0.31 0.87 0.00 0.00 0.00 179.25 180.28 3fyy h LYS 110 N 0.46 0.66 -0.85 0.00 1.57 -0.56 -0.54 116.57 117.32 3fyy h LYS 110 Ca 0.14 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 3fyy h LYS 110 Cb -0.03 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.07 3fyy h LYS 110 CO -0.04 0.47 0.51 -0.92 -0.57 0.00 0.00 179.45 178.89 3fyy h TYR 111 N 0.66 0.94 -0.00 -1.35 3.20 -0.63 -1.17 116.97 118.62 3fyy h TYR 111 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3fyy h TYR 111 Cb -0.03 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 37.94 3fyy h TYR 111 CO -0.03 0.44 -0.08 1.28 -1.64 0.00 0.00 178.16 178.12 3fyy n LEU 112 N -4.67 0.44 -3.58 2.82 4.77 -0.58 -4.93 117.00 111.28 3fyy n LEU 112 Ca 0.13 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.89 3fyy n LEU 112 Cb 0.22 -0.17 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 3fyy n LEU 112 CO 0.29 0.08 0.18 -0.67 -1.33 0.00 0.00 177.39 175.94 3fyy n ASP 113 N -0.93 -4.70 -4.23 -1.43 2.03 -0.29 -5.01 116.55 101.99 3fyy n ASP 113 Ca 0.15 -0.60 -0.13 0.00 0.52 0.00 0.00 54.79 54.73 3fyy n ASP 113 Cb 0.26 -4.92 -0.10 0.00 -0.72 0.00 0.00 41.12 35.65 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 -3.35 0.83 0.55 5.18 -4.36 -0.71 -4.79 121.20 114.56 3fyy s ILE 114 Ca 0.39 -1.99 -0.17 0.00 -0.26 0.00 0.00 60.65 58.62 3fyy s ILE 114 Cb -0.18 -1.95 -0.05 0.00 1.25 0.00 0.00 42.46 41.53 3fyy s ILE 114 CO 0.74 -0.64 1.05 -0.55 0.24 0.00 0.00 174.94 175.79 3fyy s SER 115 N -3.15 5.97 0.48 4.36 0.15 -1.25 -0.59 113.70 119.67 3fyy s SER 115 Ca 0.19 1.87 0.16 0.00 0.70 0.00 0.00 55.95 58.87 3fyy s SER 115 Cb 0.05 -2.54 1.17 0.00 -1.71 0.00 0.00 66.02 62.99 3fyy s SER 115 CO 0.01 -1.04 2.07 0.58 1.20 0.00 0.00 173.24 176.06 3fyy h VAL 116 N 0.85 0.94 -0.57 4.45 2.07 -1.35 -1.16 116.25 121.48 3fyy h VAL 116 Ca -0.48 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.06 3fyy h VAL 116 Cb 1.22 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 3fyy h VAL 116 CO 0.58 0.03 0.20 0.28 0.02 0.00 0.00 177.57 178.69 3fyy h SER 117 N 0.19 0.19 0.84 0.57 0.02 -1.88 0.92 113.55 114.39 3fyy h SER 117 Ca 0.14 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3fyy h SER 117 Cb 0.31 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3fyy h SER 117 CO -0.02 0.12 0.00 0.47 -1.14 0.00 0.00 176.83 176.26 3fyy n ASP 118 N -5.01 0.65 0.10 3.07 8.00 -0.45 -0.59 116.55 122.32 3fyy n ASP 118 Ca 0.08 0.64 0.11 0.00 0.71 0.00 0.00 54.79 56.32 3fyy n ASP 118 Cb 0.25 -0.79 -0.00 0.00 -0.02 0.00 0.00 41.12 40.56 3fyy n ASP 118 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3fyy h PHE 119 N 0.00 0.00 -0.33 1.24 -0.00 -0.74 -3.36 116.94 113.75 3fyy h PHE 119 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3fyy h PHE 119 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.37 3fyy h PHE 119 CO 0.00 0.05 0.00 1.28 -0.00 0.00 0.00 178.31 179.64 3fyy n LEU 120 N -2.70 3.06 0.00 0.59 4.77 -0.24 -4.91 117.00 117.56 3fyy n LEU 120 Ca -0.01 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 3fyy n LEU 120 Cb 0.57 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3fyy n LEU 120 CO 0.40 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 3fyy n GLY 121 N 1.42 1.08 4.92 -0.72 0.00 -1.10 -4.97 105.19 105.81 3fyy n GLY 121 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.39 -1.68 3.54 -0.02 0.00 0.24 -4.94 105.19 101.94 3fyy n GLY 122 Ca 0.00 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 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 2.52 -0.04 1.61 1.81 -1.26 -4.03 118.95 119.55 3fyy s ARG 123 Ca 0.00 -0.71 0.06 0.00 -1.72 0.00 0.00 55.73 53.36 3fyy s ARG 123 Cb 0.00 -2.44 -0.08 0.00 -0.45 0.00 0.00 34.95 31.97 3fyy s ARG 123 CO 0.00 0.61 0.07 0.28 -0.68 0.00 0.00 175.30 175.58 3fyy n VAL 124 N 1.93 0.24 -3.90 3.52 0.31 0.15 -4.96 118.33 115.62 3fyy n VAL 124 Ca -0.17 -0.21 -0.08 0.00 -0.01 0.00 0.00 64.34 63.87 3fyy n VAL 124 Cb 0.52 -0.36 -0.04 0.00 -0.91 0.00 0.00 33.84 33.06 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 -2.27 1.64 0.00 5.55 -2.85 -1.14 -5.06 119.74 115.61 3fyy s LYS 125 Ca -0.03 -1.08 0.19 0.00 -1.00 0.00 0.00 55.97 54.05 3fyy s LYS 125 Cb 0.03 0.54 -0.10 0.00 -2.06 0.00 0.00 37.83 36.24 3fyy s LYS 125 CO 0.25 -0.72 0.87 0.39 0.10 0.00 0.00 175.35 176.25 3fyy n GLU 126 N -0.41 1.20 -3.52 1.78 -0.58 -1.26 -4.75 120.64 113.09 3fyy n GLU 126 Ca -0.04 -0.45 -0.13 0.00 -0.42 0.00 0.00 57.16 56.12 3fyy n GLU 126 Cb 0.61 -1.37 -0.04 0.00 -0.57 0.00 0.00 31.44 30.07 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 -2.46 1.13 -0.01 3.49 -2.85 -1.26 -2.53 119.74 115.25 3fyy s LYS 127 Ca 0.11 -0.37 0.04 0.00 -1.00 0.00 0.00 55.97 54.76 3fyy s LYS 127 Cb 0.15 0.52 -0.01 0.00 -2.06 0.00 0.00 37.83 36.42 3fyy s LYS 127 CO 0.62 -0.45 -0.14 0.96 0.10 0.00 0.00 175.35 176.45 3fyy s ILE 128 N -3.08 1.09 0.20 3.79 -4.36 -0.42 -4.94 121.20 113.50 3fyy s ILE 128 Ca -0.02 -0.59 -0.30 0.00 -0.26 0.00 0.00 60.65 59.48 3fyy s ILE 128 Cb -0.00 -0.91 -0.09 0.00 1.25 0.00 0.00 42.46 42.71 3fyy s ILE 128 CO -0.07 0.31 1.28 -0.75 0.24 0.00 0.00 174.94 175.95 3fyy s LYS 129 N -0.32 4.42 0.39 0.37 2.47 -1.26 -0.73 119.74 125.07 3fyy s LYS 129 Ca 0.05 2.02 0.04 0.00 -1.56 0.00 0.00 55.97 56.51 3fyy s LYS 129 Cb -0.05 -3.20 -0.04 0.00 -1.46 0.00 0.00 37.83 33.08 3fyy s LYS 129 CO -0.01 -0.20 0.08 0.14 0.16 0.00 0.00 175.35 175.52 3fyy s VAL 130 N -0.02 0.99 0.11 4.02 -7.23 0.49 -0.56 120.40 118.21 3fyy s VAL 130 Ca 0.55 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 3fyy s VAL 130 Cb -0.36 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 3fyy s VAL 130 CO 0.39 0.00 -0.08 0.00 -0.31 0.00 0.00 175.10 175.10 3fyy s TYR 132 N -3.36 3.45 0.19 0.00 6.14 -0.88 -4.47 117.35 118.42 3fyy s TYR 132 Ca 0.11 0.40 -0.22 0.00 0.64 0.00 0.00 57.07 58.01 3fyy s TYR 132 Cb 0.03 -1.92 -0.08 0.00 0.42 0.00 0.00 41.96 40.41 3fyy s TYR 132 CO -0.03 0.61 0.74 -1.25 0.64 0.00 0.00 175.55 176.25 3fyy s PRO 133 N -0.83 4.36 -0.29 4.97 0.04 -1.26 -1.73 135.00 140.26 3fyy s PRO 133 Ca 0.13 0.97 0.03 0.00 0.04 0.00 0.00 61.00 62.17 3fyy s PRO 133 Cb -0.12 -3.03 0.08 0.00 0.04 0.00 0.00 34.50 31.47 3fyy s PRO 133 CO 0.03 0.47 -0.05 0.42 0.04 0.00 0.00 177.00 177.91 3fyy s ILE 134 N -1.37 2.17 0.62 0.56 1.01 -0.43 -4.93 121.20 118.82 3fyy s ILE 134 Ca 0.40 -1.88 -0.18 0.00 0.00 0.00 0.00 60.65 58.99 3fyy s ILE 134 Cb -0.19 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3fyy s ILE 134 CO 0.23 -0.25 1.17 -0.36 0.00 0.00 0.00 174.94 175.73 3fyy s PHE 135 N 1.05 2.43 0.25 3.97 0.40 -1.26 -1.86 117.98 122.96 3fyy s PHE 135 Ca -0.01 1.54 -0.30 0.00 -0.60 0.00 0.00 56.93 57.55 3fyy s PHE 135 Cb -0.20 -3.38 -0.14 0.00 0.51 0.00 0.00 43.02 39.81 3fyy s PHE 135 CO -0.06 -2.05 1.27 2.89 0.70 0.00 0.00 175.22 177.96 3fyy n ARG 136 N -1.86 1.76 -2.69 0.44 1.85 -1.18 -4.72 116.66 110.26 3fyy n ARG 136 Ca 0.13 0.62 -0.37 0.00 -1.00 0.00 0.00 57.85 57.23 3fyy n ARG 136 Cb 0.50 -2.18 -0.06 0.00 -1.05 0.00 0.00 32.46 29.67 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 -0.43 3.56 -0.05 2.89 3.76 -1.26 -4.95 115.29 118.81 3fyy s HIS 137 Ca 0.65 1.74 0.04 0.00 -0.15 0.00 0.00 55.06 57.34 3fyy s HIS 137 Cb -0.69 -3.00 -0.06 0.00 1.11 0.00 0.00 32.58 29.94 3fyy s HIS 137 CO 0.54 -0.08 0.01 0.54 -0.85 0.00 0.00 174.74 174.90 3fyy n ARG 138 N 0.41 2.84 -4.13 1.40 1.74 -1.26 -3.57 116.66 114.09 3fyy n ARG 138 Ca 0.03 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.96 3fyy n ARG 138 Cb 0.50 -1.13 -0.11 0.00 -1.02 0.00 0.00 32.46 30.69 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 -2.13 0.94 0.43 -1.55 0.40 -1.26 -4.73 117.98 110.08 3fyy s PHE 139 Ca -0.03 -0.56 0.35 0.00 -0.60 0.00 0.00 56.93 56.09 3fyy s PHE 139 Cb 0.02 -0.53 1.77 0.00 0.51 0.00 0.00 43.02 44.78 3fyy s PHE 139 CO 0.21 -0.03 2.16 0.77 0.70 0.00 0.00 175.22 179.03 3fyy h SER 140 N 4.08 0.00 0.73 1.36 0.02 -1.96 -1.97 113.55 115.82 3fyy h SER 140 Ca -0.38 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 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 0.45 0.05 -0.02 1.05 -1.14 0.00 0.00 176.83 177.22 3fyy h GLU 141 N 0.00 0.00 0.00 3.45 4.11 -2.00 -2.53 114.58 117.61 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 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3fyy h GLU 141 CO 0.01 0.02 0.00 0.39 0.07 0.00 0.00 179.01 179.50 3fyy n GLU 142 N -3.15 0.23 0.16 1.06 1.02 -0.74 -4.15 120.64 115.07 3fyy n GLU 142 Ca -0.00 0.24 -0.14 0.00 -0.02 0.00 0.00 57.16 57.24 3fyy n GLU 142 Cb 0.25 -1.80 -0.06 0.00 -0.02 0.00 0.00 31.44 29.81 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 0.51 -0.58 2.62 2.07 -1.61 -2.71 116.25 116.55 3fyy h VAL 143 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 3fyy h VAL 143 Cb 0.66 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 3fyy h VAL 143 CO 0.00 0.00 0.12 -0.08 0.02 0.00 0.00 177.57 177.63 3fyy h GLU 144 N -0.48 0.25 -0.49 1.57 4.57 -1.79 -0.51 114.58 117.69 3fyy h GLU 144 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3fyy h GLU 144 Cb 0.45 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 3fyy h GLU 144 CO -0.06 0.16 0.32 1.03 -1.18 0.00 0.00 179.01 179.29 3fyy h SER 145 N 0.25 0.57 1.05 1.04 0.87 -1.77 -1.94 113.55 113.62 3fyy h SER 145 Ca 0.30 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.71 3fyy h SER 145 Cb 0.44 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3fyy h SER 145 CO -0.39 0.42 -0.62 0.78 -0.53 0.00 0.00 176.83 176.49 3fyy h ASN 146 N 0.67 0.00 0.10 6.23 -0.26 -0.82 -2.66 115.58 118.85 3fyy h ASN 146 Ca 0.18 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.81 3fyy h ASN 146 Cb -0.07 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 3fyy h ASN 146 CO -0.04 0.62 -0.39 -0.07 -1.06 0.00 0.00 177.43 176.49 3fyy h LEU 147 N 0.00 0.40 -0.60 1.61 3.38 -0.49 -0.84 115.31 118.77 3fyy h LEU 147 Ca -0.01 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3fyy h LEU 147 Cb 1.31 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3fyy h LEU 147 CO 0.08 0.76 -0.00 0.44 0.09 0.00 0.00 178.44 179.80 3fyy h ASP 148 N 0.32 1.04 -0.54 -0.43 3.32 -1.25 -0.82 116.42 118.06 3fyy h ASP 148 Ca 0.03 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 3fyy h ASP 148 Cb 0.83 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 3fyy h ASP 148 CO 0.07 1.09 0.28 0.58 -1.72 0.00 0.00 179.24 179.54 3fyy h VAL 149 N 0.95 1.19 -0.23 -1.35 2.07 -1.09 0.97 116.25 118.76 3fyy h VAL 149 Ca 0.17 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3fyy h VAL 149 Cb 0.56 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3fyy h VAL 149 CO 0.03 0.20 0.13 0.58 0.02 0.00 0.00 177.57 178.53 3fyy h VAL 150 N 0.72 1.11 -0.68 2.57 2.07 -0.85 -0.37 116.25 120.82 3fyy h VAL 150 Ca 0.19 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3fyy h VAL 150 Cb 0.07 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3fyy h VAL 150 CO -0.03 0.11 0.23 -0.09 0.02 0.00 0.00 177.57 177.81 3fyy h ARG 151 N 0.26 1.02 -0.13 1.57 2.43 -0.89 -0.00 114.38 118.65 3fyy h ARG 151 Ca 0.08 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 3fyy h ARG 151 Cb 0.06 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3fyy h ARG 151 CO -0.01 0.86 -0.04 0.37 -1.51 0.00 0.00 179.97 179.64 3fyy h GLN 152 N 0.99 0.26 -0.13 0.20 4.15 -0.53 -2.19 115.11 117.86 3fyy h GLN 152 Ca 0.22 -0.10 -0.14 0.00 0.77 0.00 0.00 58.65 59.40 3fyy h GLN 152 Cb 0.25 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3fyy h GLN 152 CO -0.01 0.57 -0.51 0.87 -1.93 0.00 0.00 178.83 177.82 3fyy h LYS 153 N -0.06 0.35 -0.55 1.69 1.79 -0.93 -2.69 116.57 116.17 3fyy h LYS 153 Ca 0.03 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.29 3fyy h LYS 153 Cb 0.48 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 3fyy h LYS 153 CO 0.01 0.78 0.31 1.25 -1.08 0.00 0.00 179.45 180.73 3fyy h LEU 154 N 0.28 0.68 -1.44 2.94 5.85 -0.92 -0.64 115.31 122.06 3fyy h LEU 154 Ca 0.01 -0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.78 3fyy h LEU 154 Cb 0.99 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 3fyy h LEU 154 CO 0.08 0.57 0.52 -0.08 -0.34 0.00 0.00 178.44 179.20 3fyy h GLU 155 N 0.75 0.55 -0.01 1.25 4.81 -1.16 0.69 114.58 121.46 3fyy h GLU 155 Ca 0.20 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3fyy h GLU 155 Cb 0.03 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3fyy h GLU 155 CO -0.03 0.36 -0.02 1.04 -0.73 0.00 0.00 179.01 179.63 3fyy n GLN 156 N -4.51 1.18 0.00 1.92 6.02 -0.52 -4.91 117.38 116.56 3fyy n GLN 156 Ca 0.15 -0.41 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 3fyy n GLN 156 Cb 0.46 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.23 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 1.13 1.99 3.52 1.08 0.00 0.23 -4.61 105.19 108.53 3fyy n GLY 157 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.18 2.41 -1.54 1.61 0.40 -0.36 -1.85 117.98 116.46 3fyy s PHE 158 Ca 0.00 -0.24 0.24 0.00 -0.60 0.00 0.00 56.93 56.33 3fyy s PHE 158 Cb 0.00 -4.55 0.25 0.00 0.51 0.00 0.00 43.02 39.24 3fyy s PHE 158 CO 0.00 -1.96 1.24 -0.40 0.70 0.00 0.00 175.22 174.80 3fyy n ASP 159 N 8.89 1.24 -4.36 1.36 5.75 -1.26 -3.07 116.55 125.10 3fyy n ASP 159 Ca 0.03 -1.00 -0.32 0.00 -0.01 0.00 0.00 54.79 53.50 3fyy n ASP 159 Cb 0.48 0.46 -0.15 0.00 -1.03 0.00 0.00 41.12 40.88 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 -2.70 2.52 0.28 2.12 1.01 -1.26 -0.72 120.40 121.66 3fyy s VAL 160 Ca 0.16 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3fyy s VAL 160 Cb 0.18 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 3fyy s VAL 160 CO 0.65 0.57 0.10 -0.36 0.00 0.00 0.00 175.10 176.06 3fyy s PHE 161 N -0.40 1.61 -0.02 5.22 0.08 0.84 -2.07 117.98 123.25 3fyy s PHE 161 Ca 0.04 -1.18 0.03 0.00 0.12 0.00 0.00 56.93 55.94 3fyy s PHE 161 Cb -0.12 -0.95 0.00 0.00 -0.57 0.00 0.00 43.02 41.38 3fyy s PHE 161 CO 0.02 -0.31 -0.09 -0.98 -0.10 0.00 0.00 175.22 173.75 3fyy s ARG 162 N -3.98 0.98 -0.15 0.44 1.70 -0.70 -0.91 118.95 116.32 3fyy s ARG 162 Ca 0.37 -0.32 -0.01 0.00 -0.47 0.00 0.00 55.73 55.30 3fyy s ARG 162 Cb 0.07 -0.91 -0.01 0.00 -0.57 0.00 0.00 34.95 33.53 3fyy s ARG 162 CO 0.14 0.13 -0.11 -1.17 -1.08 0.00 0.00 175.30 173.21 3fyy s LEU 163 N 0.13 2.77 -0.10 -1.89 2.96 -0.21 -1.32 118.68 121.03 3fyy s LEU 163 Ca -0.02 -0.33 -0.24 0.00 -0.22 0.00 0.00 54.13 53.32 3fyy s LEU 163 Cb -0.08 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3fyy s LEU 163 CO 0.00 0.13 0.73 -0.31 -1.32 0.00 0.00 176.35 175.58 3fyy s TYR 164 N 0.54 3.53 0.36 5.38 2.02 -0.77 -0.47 117.35 127.94 3fyy s TYR 164 Ca -0.07 1.23 0.05 0.00 -0.37 0.00 0.00 57.07 57.91 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 0.04 0.00 0.17 1.33 -1.57 0.00 0.00 175.55 175.51 3fyy n VAL 165 N 4.04 0.00 0.00 0.71 0.24 0.98 -3.08 118.33 121.22 3fyy n VAL 165 Ca 0.00 -2.20 0.00 0.00 -2.04 0.00 0.00 64.34 60.10 3fyy n VAL 165 Cb 0.51 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 3fyy n VAL 165 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fyy n GLY 166 N -0.57 2.27 0.11 7.63 0.00 -1.26 -4.26 105.19 109.11 3fyy n GLY 166 Ca -0.02 0.00 -0.10 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 0.73 -0.14 -2.85 1.61 1.63 -1.92 -3.42 116.57 112.21 3fyy h LYS 167 Ca 0.00 0.01 -0.60 0.00 -0.85 0.00 0.00 60.65 59.21 3fyy h LYS 167 Cb 0.00 0.03 -0.40 0.00 -0.60 0.00 0.00 32.23 31.26 3fyy h LYS 167 CO 0.00 0.35 -0.78 1.21 -3.45 0.00 0.00 179.45 176.78 3fyy s ASN 168 N -5.63 3.40 0.35 4.20 3.84 -1.23 -5.01 114.94 114.86 3fyy s ASN 168 Ca -0.13 -2.42 0.08 0.00 0.21 0.00 0.00 52.86 50.60 3fyy s ASN 168 Cb -0.00 -0.78 0.78 0.00 -0.55 0.00 0.00 41.25 40.70 3fyy s ASN 168 CO 0.48 -0.29 1.88 -0.07 -2.79 0.00 0.00 177.10 176.31 3fyy h LEU 169 N 6.89 0.68 -0.91 3.21 3.38 -1.92 -0.18 115.31 126.47 3fyy h LEU 169 Ca 0.01 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3fyy h LEU 169 Cb 0.95 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3fyy h LEU 169 CO 0.40 0.36 0.43 0.44 0.09 0.00 0.00 178.44 180.16 3fyy h ASP 170 N 0.73 1.09 -0.19 -0.43 3.32 -1.99 0.14 116.42 119.10 3fyy h ASP 170 Ca 0.43 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.28 3fyy h ASP 170 Cb 0.62 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3fyy h ASP 170 CO -0.19 0.90 -0.20 0.00 -1.72 0.00 0.00 179.24 178.04 3fyy h ALA 171 N 1.27 0.28 -0.31 3.45 0.00 -1.56 -1.27 119.26 121.12 3fyy h ALA 171 Ca 0.30 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3fyy h ALA 171 Cb 0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 3fyy h ALA 171 CO -0.04 0.21 -0.12 -0.44 0.00 0.00 0.00 179.25 178.85 3fyy h ASP 172 N 0.13 -0.42 -0.24 0.00 3.32 -0.70 0.28 116.42 118.79 3fyy h ASP 172 Ca 0.03 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 3fyy h ASP 172 Cb 0.74 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3fyy h ASP 172 CO 0.05 -0.15 -0.00 -0.08 -1.72 0.00 0.00 179.24 177.33 3fyy h GLU 173 N -0.06 0.55 -0.25 3.56 4.81 -0.94 -1.75 114.58 120.49 3fyy h GLU 173 Ca 0.16 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3fyy h GLU 173 Cb 0.30 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3fyy h GLU 173 CO -0.35 0.58 0.03 1.49 -0.73 0.00 0.00 179.01 180.02 3fyy h GLU 174 N 0.53 0.43 0.31 1.92 4.81 -0.18 -0.89 114.58 121.50 3fyy h GLU 174 Ca 0.11 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3fyy h GLU 174 Cb 0.34 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3fyy h GLU 174 CO 0.01 0.57 -0.26 0.35 -0.73 0.00 0.00 179.01 178.95 3fyy h PHE 175 N 0.22 -0.70 -0.95 0.92 3.57 -0.66 0.48 116.94 119.82 3fyy h PHE 175 Ca 0.07 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3fyy h PHE 175 Cb 0.36 0.27 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 3fyy h PHE 175 CO 0.03 -0.39 0.61 -0.07 -2.23 0.00 0.00 178.31 176.25 3fyy h LEU 176 N -0.59 0.96 -0.47 0.59 3.38 -1.30 0.14 115.31 118.03 3fyy h LEU 176 Ca -0.02 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3fyy h LEU 176 Cb 0.52 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3fyy h LEU 176 CO -0.03 0.61 0.18 -1.28 0.09 0.00 0.00 178.44 178.02 3fyy h SER 177 N 1.10 0.65 -0.14 -0.43 0.87 -0.80 -1.17 113.55 113.63 3fyy h SER 177 Ca 0.41 -0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 3fyy h SER 177 Cb 0.17 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3fyy h SER 177 CO -0.17 0.65 -0.18 0.03 -0.53 0.00 0.00 176.83 176.63 3fyy h ARG 178 N 0.61 0.55 -0.16 2.24 2.47 0.04 -2.10 114.38 118.05 3fyy h ARG 178 Ca 0.16 -0.18 -0.04 0.00 -1.26 0.00 0.00 59.98 58.65 3fyy h ARG 178 Cb 0.20 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.47 3fyy h ARG 178 CO -0.01 0.70 -0.05 0.28 0.56 0.00 0.00 179.97 181.45 3fyy h VAL 179 N 0.50 1.30 -0.84 2.04 2.07 -0.45 -2.07 116.25 118.80 3fyy h VAL 179 Ca 0.08 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3fyy h VAL 179 Cb 0.59 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 3fyy h VAL 179 CO 0.04 0.31 0.47 0.50 0.02 0.00 0.00 177.57 178.91 3fyy h LYS 180 N -0.00 1.16 0.27 1.57 3.64 -1.15 -0.69 116.57 121.37 3fyy h LYS 180 Ca 0.04 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3fyy h LYS 180 Cb 0.50 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3fyy h LYS 180 CO 0.02 0.84 -0.13 1.49 -2.27 0.00 0.00 179.45 179.40 3fyy h GLU 181 N 1.16 -0.35 0.03 1.90 4.57 -1.32 -1.38 114.58 119.18 3fyy h GLU 181 Ca 0.30 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.45 3fyy h GLU 181 Cb 0.01 0.08 0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3fyy h GLU 181 CO -0.05 -0.21 -0.23 1.49 -1.18 0.00 0.00 179.01 178.83 3fyy h GLU 182 N -0.40 0.11 0.00 1.92 4.81 -1.30 -3.38 114.58 116.33 3fyy h GLU 182 Ca -0.04 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3fyy h GLU 182 Cb 0.31 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3fyy h GLU 182 CO 0.06 1.00 -0.87 1.19 -0.73 0.00 0.00 179.01 179.66 3fyy n PHE 183 N -4.50 0.34 0.00 0.92 3.01 -0.27 -5.01 117.46 111.95 3fyy n PHE 183 Ca -0.11 0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3fyy n PHE 183 Cb 0.54 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 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 1.37 2.51 0.81 1.37 0.00 -0.52 -0.63 105.19 110.08 3fyy n GLY 184 Ca 0.03 0.33 0.08 0.00 0.00 0.00 0.00 46.02 46.45 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 10.10 2.86 0.24 1.61 3.41 -1.26 -4.39 113.62 126.18 3fyy n SER 185 Ca 0.00 -1.84 0.10 0.00 -0.26 0.00 0.00 58.87 56.88 3fyy n SER 185 Cb 0.00 -0.16 0.57 0.00 -0.26 0.00 0.00 64.21 64.36 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 3.17 0.00 -6.06 4.33 3.08 -1.28 -3.43 114.38 114.20 3fyy h ARG 186 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3fyy h ARG 186 Cb 0.77 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.54 3fyy h ARG 186 CO 0.00 0.20 -0.85 0.14 -1.07 0.00 0.00 179.97 178.39 3fyy s VAL 187 N -3.96 1.66 0.01 2.04 -7.23 -1.26 -4.81 120.40 106.84 3fyy s VAL 187 Ca -0.01 -1.06 0.07 0.00 -1.81 0.00 0.00 61.98 59.17 3fyy s VAL 187 Cb 0.12 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 3fyy s VAL 187 CO 0.62 0.32 -0.22 -0.13 -0.31 0.00 0.00 175.10 175.38 3fyy s ARG 188 N -0.87 1.66 -0.38 4.82 0.52 0.11 -4.82 118.95 119.98 3fyy s ARG 188 Ca 0.08 -0.87 0.04 0.00 -0.52 0.00 0.00 55.73 54.45 3fyy s ARG 188 Cb -0.08 -1.68 0.11 0.00 0.52 0.00 0.00 34.95 33.81 3fyy s ARG 188 CO 0.01 0.45 0.10 0.42 0.02 0.00 0.00 175.30 176.30 3fyy s ILE 189 N -0.64 2.34 -0.12 1.52 1.01 0.21 -0.11 121.20 125.40 3fyy s ILE 189 Ca 0.09 -2.57 0.30 0.00 0.00 0.00 0.00 60.65 58.47 3fyy s ILE 189 Cb -0.09 -2.71 0.35 0.00 0.01 0.00 0.00 42.46 40.03 3fyy s ILE 189 CO 0.00 -0.65 1.87 0.07 0.00 0.00 0.00 174.94 176.24 3fyy h LYS 190 N 7.35 0.00 -3.05 2.79 5.09 -1.17 -3.30 116.57 124.28 3fyy h LYS 190 Ca -0.05 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.56 3fyy h LYS 190 Cb 0.99 0.00 -0.22 0.00 0.10 0.00 0.00 32.23 33.10 3fyy h LYS 190 CO 0.56 0.00 -0.31 0.45 -2.09 0.00 0.00 179.45 178.06 3fyy s SER 191 N -5.41 -0.22 -0.27 7.07 0.15 -1.26 -0.24 113.70 113.53 3fyy s SER 191 Ca 0.03 0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.90 3fyy s SER 191 Cb 0.09 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.84 3fyy s SER 191 CO 0.53 -0.34 -0.04 -0.31 1.20 0.00 0.00 173.24 174.29 3fyy s TYR 192 N -0.87 3.14 -0.29 3.44 2.02 -1.13 -1.05 117.35 122.62 3fyy s TYR 192 Ca -0.10 -1.66 -0.09 0.00 -0.37 0.00 0.00 57.07 54.86 3fyy s TYR 192 Cb -0.05 -2.08 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 3fyy s TYR 192 CO 0.03 -0.75 0.12 0.34 -1.57 0.00 0.00 175.55 173.71 3fyy s ASP 193 N 1.30 5.38 0.00 2.29 -1.08 0.38 -1.20 116.67 123.74 3fyy s ASP 193 Ca -0.02 -0.41 0.27 0.00 -0.52 0.00 0.00 52.55 51.87 3fyy s ASP 193 Cb -0.18 -1.97 0.86 0.00 -1.46 0.00 0.00 42.92 40.17 3fyy s ASP 193 CO -0.03 -0.13 1.63 0.49 0.52 0.00 0.00 175.17 177.65 3fyy n PHE 194 N 4.95 0.00 -4.10 -5.34 3.72 -0.58 -0.02 117.46 116.10 3fyy n PHE 194 Ca -0.15 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.91 3fyy n PHE 194 Cb 0.50 -0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 38.83 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 -0.95 -3.38 -1.49 4.37 7.64 -1.25 -1.30 113.62 117.27 3fyy n SER 195 Ca 0.11 -0.91 -0.19 0.00 1.01 0.00 0.00 58.87 58.89 3fyy n SER 195 Cb 0.33 -2.77 -0.08 0.00 -1.01 0.00 0.00 64.21 60.67 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 -4.30 0.00 0.14 1.43 8.25 -0.82 -4.88 115.22 115.04 3fyy n HIS 196 Ca 0.07 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.55 3fyy n HIS 196 Cb 0.49 -3.31 0.04 0.00 1.12 0.00 0.00 29.99 28.33 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 -9.16 2.41 3.38 -1.44 -3.39 115.31 107.12 3fyy h LEU 197 Ca -0.40 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.91 3fyy h LEU 197 Cb 1.30 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.87 3fyy h LEU 197 CO 0.58 0.51 -0.78 -0.76 0.09 0.00 0.00 178.44 178.09 3fyy s LEU 198 N -6.50 2.77 0.69 1.67 1.43 -1.26 -5.02 118.68 112.45 3fyy s LEU 198 Ca 0.04 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.42 3fyy s LEU 198 Cb 0.08 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.75 3fyy s LEU 198 CO 0.74 0.15 1.09 0.54 0.23 0.00 0.00 176.35 179.11 3fyy s ASN 199 N -2.37 5.08 0.36 2.29 2.20 -1.26 -3.59 114.94 117.65 3fyy s ASN 199 Ca 0.20 1.86 0.09 0.00 -0.94 0.00 0.00 52.86 54.07 3fyy s ASN 199 Cb -0.10 -2.53 0.83 0.00 -2.00 0.00 0.00 41.25 37.45 3fyy s ASN 199 CO 0.12 -1.65 1.89 4.11 -2.94 0.00 0.00 177.10 178.62 3fyy h TRP 200 N -0.36 0.78 -0.33 1.54 5.08 -1.90 -0.87 115.95 119.89 3fyy h TRP 200 Ca -0.45 0.02 -0.15 0.00 1.08 0.00 0.00 58.89 59.39 3fyy h TRP 200 Cb 1.23 -0.25 -0.01 0.00 -3.00 0.00 0.00 29.16 27.14 3fyy h TRP 200 CO 0.57 0.31 -0.40 0.87 -1.28 0.00 0.00 178.44 178.51 3fyy h LYS 201 N 0.68 0.81 -0.23 0.12 1.57 -1.91 -0.03 116.57 117.57 3fyy h LYS 201 Ca 0.42 -0.43 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3fyy h LYS 201 Cb 0.67 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3fyy h LYS 201 CO -0.18 1.06 -0.27 -0.44 -0.57 0.00 0.00 179.45 179.05 3fyy h ASP 202 N 0.66 0.44 -0.15 0.86 3.32 -1.73 -2.42 116.42 117.40 3fyy h ASP 202 Ca 0.05 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 3fyy h ASP 202 Cb 0.97 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3fyy h ASP 202 CO 0.09 0.71 -0.32 0.00 -1.72 0.00 0.00 179.24 178.00 3fyy h ALA 203 N 1.33 0.87 -0.37 3.45 0.00 -0.89 -2.11 119.26 121.54 3fyy h ALA 203 Ca 0.06 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.58 3fyy h ALA 203 Cb 0.68 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3fyy h ALA 203 CO 0.05 0.63 0.22 1.25 0.00 0.00 0.00 179.25 181.40 3fyy h HIS 204 N 0.55 0.40 -0.77 0.00 -0.00 -0.56 0.40 115.15 115.18 3fyy h HIS 204 Ca 0.06 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.39 3fyy h HIS 204 Cb 0.82 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 28.07 3fyy h HIS 204 CO 0.04 0.23 0.26 0.00 -0.00 0.00 0.00 177.93 178.47 3fyy h ARG 205 N 0.44 1.18 -0.31 5.26 2.47 -1.28 -0.70 114.38 121.44 3fyy h ARG 205 Ca 0.15 -0.24 -0.05 0.00 -1.26 0.00 0.00 59.98 58.58 3fyy h ARG 205 Cb 0.01 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.14 3fyy h ARG 205 CO -0.07 0.98 0.01 0.00 0.56 0.00 0.00 179.97 181.44 3fyy h ALA 206 N 1.15 0.42 -0.67 0.04 0.00 -0.82 -2.61 119.26 116.76 3fyy h ALA 206 Ca 0.25 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3fyy h ALA 206 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3fyy h ALA 206 CO -0.01 0.16 0.41 0.82 0.00 0.00 0.00 179.25 180.63 3fyy h ILE 207 N 0.34 1.08 -0.87 0.00 2.04 0.04 0.24 117.51 120.38 3fyy h ILE 207 Ca 0.09 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.70 3fyy h ILE 207 Cb 0.43 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 3fyy h ILE 207 CO 0.01 0.15 0.58 0.50 0.00 0.00 0.00 178.15 179.39 3fyy h LYS 208 N 0.81 1.08 0.16 2.37 3.64 -0.97 -0.43 116.57 123.22 3fyy h LYS 208 Ca 0.27 -0.07 -0.33 0.00 -1.27 0.00 0.00 60.65 59.26 3fyy h LYS 208 Cb 0.02 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3fyy h LYS 208 CO -0.11 0.72 -1.62 0.07 -2.27 0.00 0.00 179.45 176.24 3fyy h ARG 209 N 1.11 0.34 -0.22 1.90 0.11 -1.04 -3.37 114.38 113.21 3fyy h ARG 209 Ca 0.34 -0.58 -0.15 0.00 0.10 0.00 0.00 59.98 59.69 3fyy h ARG 209 Cb -0.01 0.21 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 3fyy h ARG 209 CO -0.10 1.23 -0.48 -0.07 0.10 0.00 0.00 179.97 180.65 3fyy h LEU 210 N 0.09 0.65 0.00 0.08 3.38 -0.85 -3.00 115.31 115.66 3fyy h LEU 210 Ca -0.29 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3fyy h LEU 210 Cb 2.07 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.63 3fyy h LEU 210 CO 0.18 1.03 0.00 0.35 0.09 0.00 0.00 178.44 180.09 3fyy n THR 211 N -3.99 0.00 0.26 0.22 -2.24 -0.18 -1.26 114.28 107.08 3fyy n THR 211 Ca -0.03 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.87 3fyy n THR 211 Cb 0.57 -0.58 0.70 0.00 -2.10 0.00 0.00 70.33 68.92 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 -4.75 -0.78 1.79 -1.69 -3.34 116.57 107.80 3fyy h LYS 212 Ca 0.00 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.79 3fyy h LYS 212 Cb 0.00 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 30.43 3fyy h LYS 212 CO 0.00 0.12 -0.53 0.71 -1.08 0.00 0.00 179.45 178.67 3fyy s TYR 213 N -4.31 3.20 -0.41 -1.35 2.02 -0.39 -5.03 117.35 111.08 3fyy s TYR 213 Ca -0.03 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.19 3fyy s TYR 213 Cb 0.14 -2.39 0.12 0.00 -0.40 0.00 0.00 41.96 39.43 3fyy s TYR 213 CO 0.60 -0.44 0.19 0.34 -1.57 0.00 0.00 175.55 174.67 3fyy s ASP 214 N 1.64 4.02 -0.98 2.29 -1.08 -1.26 -4.96 116.67 116.34 3fyy s ASP 214 Ca 0.05 -2.43 -0.03 0.00 -0.52 0.00 0.00 52.55 49.62 3fyy s ASP 214 Cb -0.17 -1.21 0.28 0.00 -1.46 0.00 0.00 42.92 40.36 3fyy s ASP 214 CO 0.07 -0.31 1.19 0.18 0.52 0.00 0.00 175.17 176.83 3fyy n LEU 215 N 3.83 5.48 -1.96 -1.34 4.77 -1.26 -4.61 117.00 121.90 3fyy n LEU 215 Ca 0.05 -5.22 -0.15 0.00 -0.03 0.00 0.00 56.01 50.66 3fyy n LEU 215 Cb 0.37 -1.17 0.01 0.00 -2.33 0.00 0.00 43.42 40.30 3fyy n LEU 215 CO 0.23 1.68 -0.06 0.61 -1.33 0.00 0.00 177.39 178.52 3fyy n GLY 216 N 1.60 -0.17 3.72 -0.72 0.00 -1.26 -0.62 105.19 107.75 3fyy n GLY 216 Ca 0.26 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3fyy n GLY 216 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fyy s LEU 217 N -4.50 4.37 -0.07 0.99 2.96 -1.24 -4.09 118.68 117.09 3fyy s LEU 217 Ca 0.14 2.67 0.08 0.00 -0.22 0.00 0.00 54.13 56.79 3fyy s LEU 217 Cb -0.06 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.92 3fyy s LEU 217 CO 0.17 -0.83 0.05 -0.62 -1.32 0.00 0.00 176.35 173.80 3fyy n GLU 218 N 3.68 2.30 -3.60 1.98 1.02 0.67 -4.99 120.64 121.71 3fyy n GLU 218 Ca 0.13 -0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 3fyy n GLU 218 Cb 0.38 -1.22 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 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 -2.26 1.30 -0.19 3.49 0.23 -0.41 -4.07 119.30 117.39 3fyy s MET 219 Ca -0.04 -0.59 -0.01 0.00 -1.03 0.00 0.00 55.69 54.02 3fyy s MET 219 Cb 0.03 0.53 0.01 0.00 -1.53 0.00 0.00 34.83 33.86 3fyy s MET 219 CO 0.35 -0.58 -0.14 0.42 -2.03 0.00 0.00 175.02 173.04 3fyy s ILE 220 N -3.60 2.58 -0.11 3.16 -1.09 -0.22 -2.83 121.20 119.11 3fyy s ILE 220 Ca 0.06 -0.76 -0.04 0.00 -2.23 0.00 0.00 60.65 57.68 3fyy s ILE 220 Cb -0.02 -2.13 -0.04 0.00 -1.58 0.00 0.00 42.46 38.69 3fyy s ILE 220 CO -0.05 0.49 0.04 -0.70 -1.23 0.00 0.00 174.94 173.50 3fyy s GLU 221 N 1.35 3.22 -1.44 2.79 2.12 -0.34 -0.85 118.70 125.54 3fyy s GLU 221 Ca 0.05 -0.33 -0.02 0.00 0.36 0.00 0.00 54.97 55.03 3fyy s GLU 221 Cb -0.14 -2.94 0.01 0.00 0.26 0.00 0.00 34.13 31.33 3fyy s GLU 221 CO -0.09 0.67 0.41 0.43 -0.54 0.00 0.00 175.26 176.15 3fyy n SER 222 N 2.27 -0.47 -0.49 -1.70 7.64 -0.46 -1.52 113.62 118.89 3fyy n SER 222 Ca -0.19 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.66 3fyy n SER 222 Cb 0.54 -2.91 0.00 0.00 -1.01 0.00 0.00 64.21 60.83 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 0.96 -3.95 1.43 -0.04 -1.26 -1.94 135.00 125.78 3fyy n PRO 223 Ca -0.28 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.09 3fyy n PRO 223 Cb 0.67 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.01 -0.23 0.94 0.55 0.00 -1.26 -4.15 121.76 116.59 3fyy s ALA 224 Ca 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 51.96 51.05 3fyy s ALA 224 Cb 0.00 0.99 0.16 0.00 0.00 0.00 0.00 23.12 24.27 3fyy s ALA 224 CO 0.00 -0.78 1.14 -2.14 0.00 0.00 0.00 175.76 173.98 3fyy s PRO 225 N -3.99 0.81 0.24 0.00 0.02 -1.24 -4.12 135.00 126.73 3fyy s PRO 225 Ca 0.19 1.52 -0.31 0.00 0.02 0.00 0.00 61.00 62.42 3fyy s PRO 225 Cb 0.01 -1.71 -0.12 0.00 0.02 0.00 0.00 34.50 32.70 3fyy s PRO 225 CO 0.05 -2.76 1.62 0.54 -0.33 0.00 0.00 177.00 176.11 3fyy n ARG 226 N -4.32 2.58 -1.20 5.54 1.74 -1.26 -1.85 116.66 117.88 3fyy n ARG 226 Ca 0.11 0.92 -0.07 0.00 -0.77 0.00 0.00 57.85 58.05 3fyy n ARG 226 Cb 0.52 -2.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.22 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 2.94 -5.05 -3.89 0.55 3.02 -1.26 -4.91 115.26 106.66 3fyy n ASN 227 Ca 0.13 0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.42 3fyy n ASN 227 Cb 0.34 -3.16 0.00 0.00 -0.61 0.00 0.00 39.78 36.35 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 -0.62 4.58 -0.24 6.41 2.03 -0.77 -4.77 116.55 123.15 3fyy n ASP 228 Ca -0.07 -2.98 -0.01 0.00 0.52 0.00 0.00 54.79 52.25 3fyy n ASP 228 Cb 0.43 -1.58 0.11 0.00 -0.72 0.00 0.00 41.12 39.36 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 6.06 0.71 -0.48 -0.67 0.04 -1.91 -1.33 116.94 119.36 3fyy h PHE 229 Ca 0.47 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 61.17 3fyy h PHE 229 Cb 0.66 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 3fyy h PHE 229 CO 1.34 0.34 -0.06 -0.44 -0.60 0.00 0.00 178.31 178.89 3fyy h ASP 230 N 0.71 0.83 -0.55 2.17 3.32 -1.98 -1.53 116.42 119.39 3fyy h ASP 230 Ca 0.31 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 3fyy h ASP 230 Cb 0.20 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3fyy h ASP 230 CO -0.19 0.92 -0.11 1.23 -1.72 0.00 0.00 179.24 179.38 3fyy h GLY 231 N 0.98 1.13 0.99 2.75 0.00 -1.84 -1.45 103.07 105.63 3fyy h GLY 231 Ca 0.14 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 3fyy h GLY 231 CO 0.03 0.83 0.29 1.41 0.00 0.00 0.00 176.54 179.11 3fyy h LEU 232 N 0.92 0.61 0.15 3.11 3.38 -1.03 -1.54 115.31 120.91 3fyy h LEU 232 Ca 0.14 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3fyy h LEU 232 Cb 0.68 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3fyy h LEU 232 CO 0.05 0.50 -0.10 0.22 0.09 0.00 0.00 178.44 179.20 3fyy h TYR 233 N 0.67 -0.25 -0.88 1.13 3.20 -1.03 0.45 116.97 120.26 3fyy h TYR 233 Ca 0.18 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.08 3fyy h TYR 233 Cb 0.01 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 3fyy h TYR 233 CO -0.02 -0.15 0.57 1.96 -1.64 0.00 0.00 178.16 178.87 3fyy h GLN 234 N -0.24 1.07 -0.15 1.82 1.08 -1.14 -1.84 115.11 115.71 3fyy h GLN 234 Ca -0.01 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.01 3fyy h GLN 234 Cb 0.21 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 3fyy h GLN 234 CO 0.01 0.71 -0.38 1.25 -0.95 0.00 0.00 178.83 179.47 3fyy h LEU 235 N 1.10 0.34 -1.28 1.46 5.85 -1.05 -2.55 115.31 119.17 3fyy h LEU 235 Ca 0.35 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3fyy h LEU 235 Cb 0.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3fyy h LEU 235 CO -0.12 0.70 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.48 3fyy h ARG 236 N 0.28 0.34 0.00 1.25 2.43 -0.12 -1.03 114.38 117.53 3fyy h ARG 236 Ca 0.03 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 3fyy h ARG 236 Cb 0.80 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3fyy h ARG 236 CO 0.06 0.47 -0.34 -0.07 -1.51 0.00 0.00 179.97 178.58 3fyy h LEU 237 N 0.32 0.00 -0.54 3.80 4.07 -0.99 -3.20 115.31 118.78 3fyy h LEU 237 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3fyy h LEU 237 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 3fyy h LEU 237 CO 0.02 0.34 -0.66 0.29 -1.08 0.00 0.00 178.44 177.35 3fyy n LYS 238 N -3.37 0.95 -4.52 1.13 5.02 -0.91 -4.93 118.16 111.54 3fyy n LYS 238 Ca 0.01 -0.53 -0.33 0.00 -2.02 0.00 0.00 58.31 55.43 3fyy n LYS 238 Cb 0.55 -1.43 -0.13 0.00 -0.02 0.00 0.00 35.03 33.99 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 -2.57 3.51 0.15 -0.18 2.01 -0.44 -5.00 115.64 113.11 3fyy s THR 239 Ca 0.13 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.52 3fyy s THR 239 Cb 0.16 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 3fyy s THR 239 CO 0.66 0.50 1.54 0.44 -0.69 0.00 0.00 174.62 177.07 3fyy h ASP 240 N 6.81 0.94 -4.05 3.53 3.45 -1.90 -3.45 116.42 121.75 3fyy h ASP 240 Ca -0.30 -0.38 -0.50 0.00 0.43 0.00 0.00 57.03 56.28 3fyy h ASP 240 Cb 1.20 -0.26 0.07 0.00 -0.56 0.00 0.00 39.33 39.77 3fyy h ASP 240 CO 0.60 1.11 0.45 -0.31 -1.57 0.00 0.00 179.24 179.52 3fyy s TYR 241 N -4.71 2.77 0.52 4.55 2.02 -1.26 -4.98 117.35 116.25 3fyy s TYR 241 Ca -0.12 1.54 -0.22 0.00 -0.37 0.00 0.00 57.07 57.90 3fyy s TYR 241 Cb 0.12 -3.31 -0.06 0.00 -0.40 0.00 0.00 41.96 38.31 3fyy s TYR 241 CO 0.85 -1.50 1.33 -2.14 -1.57 0.00 0.00 175.55 172.53 3fyy s PRO 242 N -3.06 3.33 -0.18 -1.71 0.02 -1.26 -4.79 135.00 127.36 3fyy s PRO 242 Ca 0.69 2.18 -0.07 0.00 0.02 0.00 0.00 61.00 63.82 3fyy s PRO 242 Cb -0.25 -2.34 -0.04 0.00 0.02 0.00 0.00 34.50 31.89 3fyy s PRO 242 CO 0.29 -1.02 0.04 0.42 -0.33 0.00 0.00 177.00 176.41 3fyy s ILE 243 N -1.33 4.62 0.17 2.83 -1.09 -1.26 -1.05 121.20 124.09 3fyy s ILE 243 Ca 0.69 -0.09 0.10 0.00 -2.23 0.00 0.00 60.65 59.11 3fyy s ILE 243 Cb -0.39 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 3fyy s ILE 243 CO 0.47 0.47 -0.19 -0.94 -1.23 0.00 0.00 174.94 173.51 3fyy s SER 244 N 0.36 3.74 -0.11 3.58 1.04 -0.03 -0.51 113.70 121.76 3fyy s SER 244 Ca 0.02 -0.72 -0.17 0.00 0.48 0.00 0.00 55.95 55.55 3fyy s SER 244 Cb -0.13 -0.44 0.04 0.00 0.10 0.00 0.00 66.02 65.60 3fyy s SER 244 CO 0.01 0.13 0.44 -0.70 0.98 0.00 0.00 173.24 174.09 3fyy s GLU 245 N -2.58 0.63 0.45 4.02 2.56 -0.96 -1.35 118.70 121.48 3fyy s GLU 245 Ca 0.21 0.35 -0.23 0.00 0.00 0.00 0.00 54.97 55.29 3fyy s GLU 245 Cb -0.09 0.30 -0.07 0.00 2.00 0.00 0.00 34.13 36.27 3fyy s GLU 245 CO 0.11 -0.13 1.18 -1.01 -0.56 0.00 0.00 175.26 174.85 3fyy s HIS 246 N -0.39 2.88 -0.33 5.30 3.76 -1.26 -1.09 115.29 124.16 3fyy s HIS 246 Ca -0.05 1.53 -0.10 0.00 -0.15 0.00 0.00 55.06 56.29 3fyy s HIS 246 Cb -0.03 -3.41 0.00 0.00 1.11 0.00 0.00 32.58 30.25 3fyy s HIS 246 CO 0.03 -1.56 0.16 0.08 -0.85 0.00 0.00 174.74 172.61 3fyy s VAL 247 N -1.51 4.58 -0.61 -0.90 1.01 -0.32 -4.86 120.40 117.79 3fyy s VAL 247 Ca 0.63 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.13 3fyy s VAL 247 Cb -0.30 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.69 3fyy s VAL 247 CO 0.36 -0.01 0.53 -2.67 0.00 0.00 0.00 175.10 173.31 3fyy n TRP 248 N 4.98 0.00 -3.55 5.22 2.14 -1.26 -4.32 117.44 120.66 3fyy n TRP 248 Ca -0.13 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.32 3fyy n TRP 248 Cb 0.48 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.94 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 -0.97 -0.43 0.27 -0.67 1.04 -1.26 -4.65 113.70 107.03 3fyy s SER 249 Ca 0.06 0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.83 3fyy s SER 249 Cb 0.05 0.38 0.37 0.00 0.10 0.00 0.00 66.02 66.92 3fyy s SER 249 CO 0.15 -0.47 1.84 -0.26 0.98 0.00 0.00 173.24 175.48 3fyy h PHE 250 N 2.51 0.94 -0.18 5.02 0.04 -1.96 -1.05 116.94 122.26 3fyy h PHE 250 Ca -0.21 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.50 3fyy h PHE 250 Cb 1.18 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 3fyy h PHE 250 CO 0.30 0.74 0.09 -0.22 -0.60 0.00 0.00 178.31 178.62 3fyy h LYS 251 N 0.90 0.18 -0.51 1.51 1.63 -1.99 0.33 116.57 118.62 3fyy h LYS 251 Ca 0.21 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.97 3fyy h LYS 251 Cb 0.22 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 3fyy h LYS 251 CO -0.01 0.12 0.24 0.37 -3.45 0.00 0.00 179.45 176.71 3fyy h GLN 252 N 0.19 0.75 -0.61 1.90 4.15 -1.90 -1.70 115.11 117.88 3fyy h GLN 252 Ca 0.07 -0.12 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 3fyy h GLN 252 Cb 0.02 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 3fyy h GLN 252 CO -0.05 0.63 0.20 0.37 -1.93 0.00 0.00 178.83 178.05 3fyy h GLN 253 N 0.69 0.94 -0.39 1.69 4.15 -0.81 -2.12 115.11 119.25 3fyy h GLN 253 Ca 0.18 -0.20 0.05 0.00 0.77 0.00 0.00 58.65 59.44 3fyy h GLN 253 Cb 0.14 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 3fyy h GLN 253 CO -0.02 0.83 0.14 0.37 -1.93 0.00 0.00 178.83 178.21 3fyy h GLN 254 N 0.86 0.29 -0.65 1.69 4.15 -0.05 -0.70 115.11 120.69 3fyy h GLN 254 Ca 0.20 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 3fyy h GLN 254 Cb 0.27 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 3fyy h GLN 254 CO -0.01 0.19 0.35 0.93 -1.93 0.00 0.00 178.83 178.36 3fyy h GLU 255 N 0.29 0.91 0.00 1.69 4.39 -1.08 0.13 114.58 120.92 3fyy h GLU 255 Ca 0.18 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 3fyy h GLU 255 Cb 0.16 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3fyy h GLU 255 CO -0.18 0.69 -0.28 0.52 -1.16 0.00 0.00 179.01 178.60 3fyy h MET 256 N 0.89 0.00 0.15 2.33 2.86 -0.94 -1.13 114.93 119.08 3fyy h MET 256 Ca 0.23 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3fyy h MET 256 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3fyy h MET 256 CO -0.03 0.28 -0.07 0.82 1.06 0.00 0.00 176.91 178.96 3fyy h ILE 257 N 0.00 0.83 -0.92 -1.22 2.04 -0.52 -0.97 117.51 116.75 3fyy h ILE 257 Ca -0.00 -1.19 0.11 0.00 1.00 0.00 0.00 64.86 64.78 3fyy h ILE 257 Cb 0.58 1.42 -0.08 0.00 -0.74 0.00 0.00 36.82 38.01 3fyy h ILE 257 CO 0.04 0.23 0.56 0.11 0.00 0.00 0.00 178.15 179.08 3fyy h LYS 258 N -0.89 0.86 -0.16 2.37 1.57 -0.88 -1.34 116.57 118.10 3fyy h LYS 258 Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3fyy h LYS 258 Cb 0.52 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3fyy h LYS 258 CO 0.03 0.57 0.00 1.63 -0.57 0.00 0.00 179.45 181.11 3fyy n LYS 259 N -4.69 1.81 -4.16 3.15 5.02 -0.44 -4.92 118.16 113.94 3fyy n LYS 259 Ca 0.17 -1.21 -0.33 0.00 -2.02 0.00 0.00 58.31 54.92 3fyy n LYS 259 Cb 0.33 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 3fyy n LYS 259 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3fyy n ASP 260 N 0.44 -2.24 0.16 4.39 9.92 -0.51 -4.85 116.55 123.85 3fyy n ASP 260 Ca 0.17 -1.03 0.02 0.00 -0.53 0.00 0.00 54.79 53.42 3fyy n ASP 260 Cb 0.37 -2.77 0.23 0.00 -0.64 0.00 0.00 41.12 38.30 3fyy n ASP 260 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fyy h ALA 261 N 0.89 0.95 -2.23 2.24 0.00 -1.47 -3.46 119.26 116.18 3fyy h ALA 261 Ca -0.61 -0.47 -0.40 0.00 0.00 0.00 0.00 54.91 53.44 3fyy h ALA 261 Cb 1.38 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 3fyy h ALA 261 CO 0.73 0.64 -0.59 0.96 0.00 0.00 0.00 179.25 180.99 3fyy s ILE 262 N -3.54 0.63 -0.18 0.00 -4.36 -1.26 -3.50 121.20 108.99 3fyy s ILE 262 Ca -0.00 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.45 3fyy s ILE 262 Cb 0.12 -2.62 -0.15 0.00 1.25 0.00 0.00 42.46 41.05 3fyy s ILE 262 CO 0.73 0.00 -0.08 0.47 0.24 0.00 0.00 174.94 176.30 3fyy n ASP 263 N -0.66 1.96 -4.06 4.36 9.92 0.33 -4.96 116.55 123.45 3fyy n ASP 263 Ca -0.01 -0.06 -0.27 0.00 -0.53 0.00 0.00 54.79 53.93 3fyy n ASP 263 Cb 0.66 0.20 -0.17 0.00 -0.64 0.00 0.00 41.12 41.17 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 -2.38 1.36 -0.33 0.53 1.01 -0.47 -3.32 121.20 117.60 3fyy s ILE 264 Ca -0.18 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 3fyy s ILE 264 Cb 0.06 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 3fyy s ILE 264 CO 0.52 0.41 0.49 -0.36 0.00 0.00 0.00 174.94 176.00 3fyy s PHE 265 N 0.75 3.19 -0.53 3.97 0.08 0.06 -2.26 117.98 123.24 3fyy s PHE 265 Ca -0.12 0.23 -0.23 0.00 0.12 0.00 0.00 56.93 56.93 3fyy s PHE 265 Cb -0.16 -2.86 0.04 0.00 -0.57 0.00 0.00 43.02 39.47 3fyy s PHE 265 CO 0.03 -0.48 0.86 1.21 -0.10 0.00 0.00 175.22 176.73 3fyy s ASN 266 N 1.73 6.32 -0.13 1.36 3.04 -0.25 -1.84 114.94 125.16 3fyy s ASN 266 Ca 0.18 -0.45 -0.03 0.00 0.04 0.00 0.00 52.86 52.61 3fyy s ASN 266 Cb -0.16 -2.40 -0.03 0.00 -1.54 0.00 0.00 41.25 37.13 3fyy s ASN 266 CO 0.13 -1.13 -0.04 -0.63 -3.04 0.00 0.00 177.10 172.39 3fyy s ILE 267 N 3.60 3.92 -0.04 -5.21 1.01 -0.13 -1.17 121.20 123.18 3fyy s ILE 267 Ca 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 3fyy s ILE 267 Cb -0.14 -2.69 0.03 0.00 0.01 0.00 0.00 42.46 39.67 3fyy s ILE 267 CO 0.18 0.52 0.08 -0.55 0.00 0.00 0.00 174.94 175.17 3fyy s SER 268 N 0.01 0.34 0.29 3.58 0.15 -1.26 -1.06 113.70 115.75 3fyy s SER 268 Ca 0.01 0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.83 3fyy s SER 268 Cb -0.13 0.01 0.74 0.00 -1.71 0.00 0.00 66.02 64.92 3fyy s SER 268 CO 0.03 -0.17 1.66 -0.65 1.20 0.00 0.00 173.24 175.30 3fyy h PRO 269 N 7.65 0.24 -0.60 5.44 0.11 -1.90 -1.81 132.00 141.14 3fyy h PRO 269 Ca -0.34 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.78 3fyy h PRO 269 Cb 1.12 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3fyy h PRO 269 CO 0.36 0.16 0.40 -0.24 -0.21 0.00 0.00 178.00 178.47 3fyy h VAL 270 N 0.25 1.10 0.00 3.15 3.04 -1.89 0.31 116.25 122.21 3fyy h VAL 270 Ca 0.56 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 3fyy h VAL 270 Cb 1.14 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 3fyy h VAL 270 CO -0.63 0.13 -0.47 0.49 -1.01 0.00 0.00 177.57 176.09 3fyy n PHE 271 N -4.46 0.20 0.22 3.17 3.72 -0.70 -3.29 117.46 116.33 3fyy n PHE 271 Ca 0.07 0.06 0.02 0.00 -0.05 0.00 0.00 57.45 57.55 3fyy n PHE 271 Cb 0.11 -0.43 0.01 0.00 -0.94 0.00 0.00 39.48 38.23 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 -1.72 0.00 0.00 4.37 0.13 -0.99 -4.42 119.36 116.73 3fyy n ILE 272 Ca 0.05 -0.47 0.00 0.00 -1.10 0.00 0.00 62.75 61.23 3fyy n ILE 272 Cb 0.37 1.08 0.00 0.00 -0.84 0.00 0.00 39.64 40.25 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 0.50 1.15 0.00 4.50 0.00 -0.17 -4.72 105.19 106.45 3fyy n GLY 273 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.57 1.52 0.28 -0.02 0.00 0.93 -2.55 105.19 103.77 3fyy n GLY 274 Ca 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 46.02 43.73 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 0.77 -0.28 0.99 3.38 -1.85 0.16 115.31 118.48 3fyy h LEU 275 Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3fyy h LEU 275 Cb 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3fyy h LEU 275 CO 0.00 0.54 0.14 0.74 0.09 0.00 0.00 178.44 179.95 3fyy h THR 276 N 0.91 0.99 -0.18 0.22 2.02 -1.90 0.05 112.91 115.02 3fyy h THR 276 Ca 0.27 -0.10 -0.17 0.00 0.77 0.00 0.00 66.41 67.19 3fyy h THR 276 Cb -0.04 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3fyy h THR 276 CO -0.08 0.05 -0.58 0.28 0.37 0.00 0.00 175.52 175.56 3fyy h SER 277 N 0.29 0.64 -0.53 4.18 0.02 -1.78 -2.72 113.55 113.66 3fyy h SER 277 Ca 0.12 -0.35 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 3fyy h SER 277 Cb 0.04 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3fyy h SER 277 CO -0.08 1.08 0.08 0.00 -1.14 0.00 0.00 176.83 176.76 3fyy h ALA 278 N 0.93 1.06 -0.50 3.77 0.00 -0.38 -1.17 119.26 122.97 3fyy h ALA 278 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 3fyy h ALA 278 Cb 1.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3fyy h ALA 278 CO 0.11 0.60 -0.01 0.87 0.00 0.00 0.00 179.25 180.82 3fyy h LYS 279 N 0.87 0.89 -0.83 0.00 1.57 -0.94 -0.40 116.57 117.73 3fyy h LYS 279 Ca 0.18 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3fyy h LYS 279 Cb 0.41 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 3fyy h LYS 279 CO 0.01 0.93 0.43 0.87 -0.57 0.00 0.00 179.45 181.12 3fyy h LYS 280 N 0.75 1.17 -0.47 3.15 1.57 -1.15 0.95 116.57 122.54 3fyy h LYS 280 Ca 0.14 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3fyy h LYS 280 Cb 0.54 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3fyy h LYS 280 CO 0.03 0.88 0.14 0.00 -0.57 0.00 0.00 179.45 179.94 3fyy h ALA 281 N 1.23 0.62 -0.55 3.86 0.00 -0.97 0.72 119.26 124.16 3fyy h ALA 281 Ca 0.29 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3fyy h ALA 281 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3fyy h ALA 281 CO -0.04 0.27 -0.02 0.00 0.00 0.00 0.00 179.25 179.46 3fyy h ALA 282 N 1.00 0.92 -0.25 0.00 0.00 -0.64 -1.49 119.26 118.81 3fyy h ALA 282 Ca 0.15 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3fyy h ALA 282 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3fyy h ALA 282 CO -0.00 0.64 -0.45 1.88 0.00 0.00 0.00 179.25 181.31 3fyy h TYR 283 N 0.89 0.76 -0.85 0.00 0.05 -0.58 -0.11 116.97 117.13 3fyy h TYR 283 Ca 0.16 -0.24 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 3fyy h TYR 283 Cb 0.55 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.09 3fyy h TYR 283 CO 0.03 0.97 0.42 0.00 -1.05 0.00 0.00 178.16 178.53 3fyy h ALA 284 N 0.99 1.09 -0.39 3.88 0.00 -0.58 0.22 119.26 124.48 3fyy h ALA 284 Ca 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3fyy h ALA 284 Cb 0.99 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3fyy h ALA 284 CO 0.09 0.64 0.15 0.00 0.00 0.00 0.00 179.25 180.14 3fyy h ALA 285 N 1.23 0.50 -0.30 0.00 0.00 -0.98 -2.35 119.26 117.36 3fyy h ALA 285 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3fyy h ALA 285 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3fyy h ALA 285 CO -0.04 0.11 0.19 1.49 0.00 0.00 0.00 179.25 181.00 3fyy h GLU 286 N 0.48 0.39 -0.29 0.00 4.81 -0.21 0.82 114.58 120.58 3fyy h GLU 286 Ca 0.13 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3fyy h GLU 286 Cb 0.19 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3fyy h GLU 286 CO -0.01 0.26 0.20 0.28 -0.73 0.00 0.00 179.01 179.01 3fyy h VAL 287 N 0.40 0.96 -0.32 0.32 2.07 -0.41 0.97 116.25 120.24 3fyy h VAL 287 Ca 0.11 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3fyy h VAL 287 Cb -0.04 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3fyy h VAL 287 CO -0.03 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3fyy n ALA 288 N -2.54 2.46 -3.60 1.67 0.00 -0.72 -4.93 120.51 112.86 3fyy n ALA 288 Ca 0.03 -0.62 -0.25 0.00 0.00 0.00 0.00 53.44 52.59 3fyy n ALA 288 Cb 0.22 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 0.53 -5.88 -4.68 0.00 7.64 0.33 -5.00 113.62 106.58 3fyy n SER 289 Ca 0.14 -0.56 -0.31 0.00 1.01 0.00 0.00 58.87 59.15 3fyy n SER 289 Cb 0.32 -4.66 -0.08 0.00 -1.01 0.00 0.00 64.21 58.78 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 -6.31 2.57 0.53 1.43 -0.14 0.20 -5.01 119.74 113.02 3fyy s LYS 290 Ca 0.57 -0.80 -0.17 0.00 -1.36 0.00 0.00 55.97 54.21 3fyy s LYS 290 Cb -0.26 -2.55 -0.07 0.00 -1.68 0.00 0.00 37.83 33.27 3fyy s LYS 290 CO 0.70 0.56 1.01 -0.51 -0.76 0.00 0.00 175.35 176.35 3fyy s ASP 291 N -2.11 6.33 0.04 2.83 -0.00 -1.21 -4.26 116.67 118.30 3fyy s ASP 291 Ca 0.24 1.69 0.02 0.00 -0.00 0.00 0.00 52.55 54.50 3fyy s ASP 291 Cb -0.12 -2.52 -0.02 0.00 -0.00 0.00 0.00 42.92 40.26 3fyy s ASP 291 CO 0.16 -0.79 -0.08 -0.69 -0.00 0.00 0.00 175.17 173.77 3fyy s VAL 292 N -2.49 0.59 0.02 -1.27 1.01 0.10 -0.76 120.40 117.59 3fyy s VAL 292 Ca 0.61 -1.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 3fyy s VAL 292 Cb -0.12 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 3fyy s VAL 292 CO 0.31 -0.35 -0.02 0.68 0.00 0.00 0.00 175.10 175.73 3fyy s VAL 293 N -1.32 0.09 -0.15 2.92 -7.23 -0.77 -3.86 120.40 110.08 3fyy s VAL 293 Ca -0.09 -0.77 -0.22 0.00 -1.81 0.00 0.00 61.98 59.09 3fyy s VAL 293 Cb -0.10 -0.23 -0.03 0.00 0.56 0.00 0.00 36.38 36.59 3fyy s VAL 293 CO 0.01 -0.42 0.66 -0.76 -0.31 0.00 0.00 175.10 174.27 3fyy s LEU 294 N -1.24 4.21 0.00 1.32 1.43 -1.26 -0.96 118.68 122.18 3fyy s LEU 294 Ca -0.14 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 3fyy s LEU 294 Cb -0.08 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.17 3fyy s LEU 294 CO -0.01 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 176.96 3fyy n GLY 295 N 3.50 1.18 3.40 -3.19 0.00 -0.22 -0.83 105.19 109.04 3fyy n GLY 295 Ca -0.01 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 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 0.54 0.02 -0.15 2.61 -1.32 -1.26 -4.31 115.64 111.77 3fyy s THR 296 Ca 0.00 -0.18 0.02 0.00 -1.21 0.00 0.00 61.69 60.31 3fyy s THR 296 Cb 0.00 -1.02 0.04 0.00 -1.51 0.00 0.00 72.50 70.02 3fyy s THR 296 CO 0.00 -0.10 0.99 1.07 -2.21 0.00 0.00 174.62 174.37 3fyy n THR 297 N 0.06 0.89 -1.65 5.08 5.66 -1.26 -4.99 114.28 118.07 3fyy n THR 297 Ca -0.17 -0.94 -0.01 0.00 -3.05 0.00 0.00 64.05 59.87 3fyy n THR 297 Cb 0.62 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.97 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 -0.29 -0.16 -2.26 1.09 1.13 -1.26 -4.82 117.38 110.81 3fyy n GLN 298 Ca 0.02 0.36 -0.25 0.00 -1.94 0.00 0.00 57.00 55.18 3fyy n GLN 298 Cb 0.25 -1.90 0.08 0.00 0.11 0.00 0.00 30.24 28.79 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 -3.06 2.00 0.00 -1.09 1.03 -1.26 -4.76 118.70 111.56 3fyy s GLU 299 Ca 0.02 -0.43 0.00 0.00 0.03 0.00 0.00 54.97 54.59 3fyy s GLU 299 Cb -0.00 -2.19 0.00 0.00 -0.80 0.00 0.00 34.13 31.14 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 -2.95 0.00 -0.34 1.83 4.77 -1.26 -3.08 117.00 115.97 3fyy n LEU 300 Ca 0.10 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 3fyy n LEU 300 Cb 0.60 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.78 3fyy n LEU 300 CO 0.50 -0.40 1.22 0.28 -1.33 0.00 0.00 177.39 177.65 3fyy h SER 301 N 0.00 1.10 -0.43 -1.43 0.02 -1.97 -1.20 113.55 109.63 3fyy h SER 301 Ca 0.00 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3fyy h SER 301 Cb 0.00 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 3fyy h SER 301 CO 0.00 0.84 0.20 0.58 -1.14 0.00 0.00 176.83 177.32 3fyy h VAL 302 N 1.26 1.18 -0.13 2.27 2.07 -1.96 -0.97 116.25 119.96 3fyy h VAL 302 Ca 0.33 -0.53 -0.14 0.00 0.82 0.00 0.00 66.70 67.18 3fyy h VAL 302 Cb -0.05 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3fyy h VAL 302 CO -0.06 0.20 -0.53 1.23 0.02 0.00 0.00 177.57 178.43 3fyy h GLY 303 N 0.56 0.42 1.44 2.17 0.00 -1.86 -3.07 103.07 102.73 3fyy h GLY 303 Ca 0.15 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 3fyy h GLY 303 CO -0.02 0.43 -0.36 -0.84 0.00 0.00 0.00 176.54 175.75 3fyy h THR 304 N 0.30 1.29 -0.48 4.70 2.02 -1.05 -2.91 112.91 116.78 3fyy h THR 304 Ca 0.01 -1.50 -0.03 0.00 0.77 0.00 0.00 66.41 65.65 3fyy h THR 304 Cb 1.03 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 3fyy h THR 304 CO 0.09 0.48 0.16 0.00 0.37 0.00 0.00 175.52 176.63 3fyy h ALA 305 N 1.08 1.39 -0.53 6.16 0.00 -1.10 -0.69 119.26 125.57 3fyy h ALA 305 Ca 0.05 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3fyy h ALA 305 Cb 0.86 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3fyy h ALA 305 CO 0.07 0.45 0.25 0.00 0.00 0.00 0.00 179.25 180.02 3fyy h ALA 306 N 1.49 0.67 0.00 0.00 0.00 -1.42 -1.67 119.26 118.34 3fyy h ALA 306 Ca 0.16 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3fyy h ALA 306 Cb 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3fyy h ALA 306 CO -0.01 -0.12 -0.62 0.52 0.00 0.00 0.00 179.25 179.03 3fyy h MET 307 N 0.47 0.00 -0.34 0.00 2.86 -1.36 -2.13 114.93 114.43 3fyy h MET 307 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3fyy h MET 307 Cb 0.19 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3fyy h MET 307 CO -0.19 0.62 0.22 0.00 1.06 0.00 0.00 176.91 178.62 3fyy h ALA 308 N 1.38 0.44 -0.22 6.32 0.00 -0.28 0.56 119.26 127.46 3fyy h ALA 308 Ca -0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3fyy h ALA 308 Cb 1.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3fyy h ALA 308 CO 0.08 -0.09 -0.09 0.45 0.00 0.00 0.00 179.25 179.60 3fyy h HIS 309 N 0.46 0.51 -0.18 0.00 3.86 -1.27 -2.70 115.15 115.83 3fyy h HIS 309 Ca 0.13 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3fyy h HIS 309 Cb -0.04 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 3fyy h HIS 309 CO -0.05 0.71 0.07 1.25 0.86 0.00 0.00 177.93 180.77 3fyy h LEU 310 N 0.16 0.25 -0.99 2.43 6.46 -1.20 -3.10 115.31 119.31 3fyy h LEU 310 Ca 0.05 -0.18 0.07 0.00 -0.12 0.00 0.00 57.88 57.71 3fyy h LEU 310 Cb 0.57 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.36 3fyy h LEU 310 CO 0.03 0.36 0.64 1.23 -0.62 0.00 0.00 178.44 180.07 3fyy h GLY 311 N 0.12 1.53 1.02 3.75 0.00 0.09 -1.57 103.07 108.01 3fyy h GLY 311 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3fyy h GLY 311 CO -0.00 0.30 0.00 0.00 0.00 0.00 0.00 176.54 176.84 3fyy n SER 313 N -1.01 1.12 -4.78 0.00 3.41 -0.60 0.32 113.62 112.08 3fyy n SER 313 Ca 0.22 -0.39 -0.39 0.00 -0.26 0.00 0.00 58.87 58.05 3fyy n SER 313 Cb 0.10 1.39 -0.06 0.00 -0.26 0.00 0.00 64.21 65.39 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 -3.46 4.49 0.18 1.04 1.43 -1.15 -4.67 118.68 116.55 3fyy s LEU 314 Ca -0.01 1.33 0.23 0.00 -1.03 0.00 0.00 54.13 54.66 3fyy s LEU 314 Cb 0.11 -3.03 0.10 0.00 0.03 0.00 0.00 46.19 43.39 3fyy s LEU 314 CO 0.63 0.17 1.13 0.71 0.23 0.00 0.00 176.35 179.22 3fyy h THR 315 N 3.78 0.00 -0.84 5.49 1.35 -1.95 -3.37 112.91 117.36 3fyy h THR 315 Ca -0.47 -0.84 -0.36 0.00 -0.55 0.00 0.00 66.41 64.18 3fyy h THR 315 Cb 1.21 1.37 -0.22 0.00 -1.73 0.00 0.00 68.15 68.78 3fyy h THR 315 CO 0.67 0.00 0.46 -0.46 -0.25 0.00 0.00 175.52 175.94 3fyy n ASN 316 N -2.51 4.18 -4.43 5.36 6.94 -1.26 -4.81 115.26 118.73 3fyy n ASN 316 Ca 0.01 -3.36 -0.42 0.00 -0.02 0.00 0.00 54.58 50.79 3fyy n ASN 316 Cb 0.52 -0.78 -0.11 0.00 -2.36 0.00 0.00 39.78 37.05 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 -3.01 4.97 -0.05 1.53 1.01 -1.26 -0.72 121.20 123.66 3fyy s ILE 317 Ca 0.53 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 60.53 3fyy s ILE 317 Cb 0.44 -3.76 0.12 0.00 0.01 0.00 0.00 42.46 39.27 3fyy s ILE 317 CO 0.12 -0.27 1.02 0.59 0.00 0.00 0.00 174.94 176.40 3fyy n ASN 318 N 5.09 1.82 -3.77 3.58 3.02 -1.25 -5.00 115.26 118.75 3fyy n ASN 318 Ca -0.11 -2.37 -0.16 0.00 -0.03 0.00 0.00 54.58 51.91 3fyy n ASN 318 Cb 0.47 -0.19 -0.09 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.61 1.47 0.19 3.10 3.76 -1.26 -5.12 115.29 115.82 3fyy s HIS 319 Ca 0.13 -1.52 -0.30 0.00 -0.15 0.00 0.00 55.06 53.22 3fyy s HIS 319 Cb 0.12 -0.65 -0.08 0.00 1.11 0.00 0.00 32.58 33.08 3fyy s HIS 319 CO 0.01 -0.75 1.16 0.99 -0.85 0.00 0.00 174.74 175.30 3fyy s THR 320 N -3.79 3.64 0.54 1.30 2.01 -1.26 -4.86 115.64 113.22 3fyy s THR 320 Ca 0.40 1.41 0.02 0.00 0.31 0.00 0.00 61.69 63.83 3fyy s THR 320 Cb 0.05 -3.90 0.10 0.00 0.01 0.00 0.00 72.50 68.76 3fyy s THR 320 CO 0.20 0.24 0.75 -1.20 -0.69 0.00 0.00 174.62 173.92 3fyy n SER 321 N 2.34 1.19 -0.00 3.53 7.64 0.28 -4.85 113.62 123.75 3fyy n SER 321 Ca 0.03 -1.96 0.01 0.00 1.01 0.00 0.00 58.87 57.96 3fyy n SER 321 Cb 0.45 -0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 3fyy n SER 321 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3fyy n ASP 322 N -2.82 0.83 -4.56 6.43 8.00 -0.01 -1.42 116.55 123.00 3fyy n ASP 322 Ca 0.13 -0.46 -0.22 0.00 0.71 0.00 0.00 54.79 54.94 3fyy n ASP 322 Cb 0.46 1.02 -0.06 0.00 -0.02 0.00 0.00 41.12 42.53 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 -1.38 2.08 -0.13 -0.24 0.04 -1.26 -4.57 135.00 129.54 3fyy s PRO 323 Ca 0.01 0.29 0.17 0.00 0.04 0.00 0.00 61.00 61.50 3fyy s PRO 323 Cb 0.02 -4.84 0.43 0.00 0.04 0.00 0.00 34.50 30.14 3fyy s PRO 323 CO 0.10 -3.82 1.20 0.25 0.04 0.00 0.00 177.00 174.77 3fyy n THR 324 N 8.26 1.34 -0.17 1.26 -2.24 -1.26 -4.92 114.28 116.55 3fyy n THR 324 Ca 0.41 -2.40 -0.03 0.00 -2.27 0.00 0.00 64.05 59.76 3fyy n THR 324 Cb 0.46 0.25 0.04 0.00 -2.10 0.00 0.00 70.33 68.98 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 1.09 0.35 0.58 3.38 0.00 -1.83 -1.76 103.07 104.88 3fyy h GLY 325 Ca -0.08 0.19 0.18 0.00 0.00 0.00 0.00 47.33 47.62 3fyy h GLY 325 CO 0.07 -0.20 0.54 -2.55 0.00 0.00 0.00 176.54 174.39 3fyy h PRO 326 N -0.01 0.00 0.00 4.80 0.11 -1.84 -0.21 132.00 134.85 3fyy h PRO 326 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3fyy h PRO 326 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3fyy h PRO 326 CO -0.55 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 178.17 3fyy h GLU 327 N 0.00 0.00 0.00 1.05 4.39 -1.68 -2.93 114.58 115.42 3fyy h GLU 327 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 3fyy h GLU 327 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 3fyy h GLU 327 CO -0.00 0.00 -1.02 1.28 -1.16 0.00 0.00 179.01 178.11 3fyy n LEU 328 N -2.81 0.62 -4.91 1.33 4.32 -0.09 -4.93 117.00 110.52 3fyy n LEU 328 Ca 0.01 0.03 -0.32 0.00 -0.02 0.00 0.00 56.01 55.71 3fyy n LEU 328 Cb 0.25 -0.10 -0.04 0.00 -1.62 0.00 0.00 43.42 41.91 3fyy n LEU 328 CO 0.24 0.02 -0.10 -0.31 -1.22 0.00 0.00 177.39 176.02 3fyy s TYR 329 N -3.22 3.52 -0.66 -1.77 2.02 -1.11 -0.93 117.35 115.21 3fyy s TYR 329 Ca 0.03 0.38 0.26 0.00 -0.37 0.00 0.00 57.07 57.37 3fyy s TYR 329 Cb 0.14 -1.86 0.75 0.00 -0.40 0.00 0.00 41.96 40.59 3fyy s TYR 329 CO 0.80 0.56 1.75 -0.39 -1.57 0.00 0.00 175.55 176.70 3fyy h VAL 330 N 2.30 0.00 -2.31 0.71 -1.51 -1.65 -3.45 116.25 110.34 3fyy h VAL 330 Ca -0.46 -0.55 -0.02 0.00 -1.23 0.00 0.00 66.70 64.44 3fyy h VAL 330 Cb 1.17 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 31.86 3fyy h VAL 330 CO 0.73 0.00 0.04 0.61 -1.23 0.00 0.00 177.57 177.72 3fyy n GLY 331 N 1.18 2.04 0.91 5.19 0.00 -1.26 -5.10 105.19 108.15 3fyy n GLY 331 Ca 0.05 -1.17 -0.03 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.36 -0.48 -0.67 1.61 4.64 -1.26 -5.00 116.55 114.03 3fyy n ASP 332 Ca -0.02 -1.44 0.06 0.00 -1.38 0.00 0.00 54.79 52.02 3fyy n ASP 332 Cb 0.15 0.83 0.15 0.00 -1.04 0.00 0.00 41.12 41.20 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 -0.14 1.59 -4.50 5.18 0.24 -1.26 -4.82 118.33 114.62 3fyy n VAL 333 Ca -0.01 -2.44 -0.26 0.00 -2.04 0.00 0.00 64.34 59.59 3fyy n VAL 333 Cb 0.15 0.04 -0.10 0.00 -1.47 0.00 0.00 33.84 32.46 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 -2.36 2.31 0.09 3.34 -7.23 -1.26 -0.24 120.40 115.06 3fyy s VAL 334 Ca 0.34 -2.14 -0.05 0.00 -1.81 0.00 0.00 61.98 58.31 3fyy s VAL 334 Cb 0.33 -2.70 -0.25 0.00 0.56 0.00 0.00 36.38 34.32 3fyy s VAL 334 CO -0.07 -0.19 1.19 0.11 -0.31 0.00 0.00 175.10 175.84 3fyy h LYS 335 N 1.96 0.34 -3.33 4.82 1.57 -1.26 -3.42 116.57 117.24 3fyy h LYS 335 Ca -0.42 -0.49 -0.37 0.00 -1.87 0.00 0.00 60.65 57.50 3fyy h LYS 335 Cb 1.25 0.17 -0.39 0.00 0.08 0.00 0.00 32.23 33.34 3fyy h LYS 335 CO 0.70 1.19 -0.74 -0.80 -0.57 0.00 0.00 179.45 179.24 3fyy s ASN 336 N -7.16 1.13 0.90 0.86 -0.87 -1.26 -5.09 114.94 103.44 3fyy s ASN 336 Ca -0.05 0.07 -0.12 0.00 -1.57 0.00 0.00 52.86 51.19 3fyy s ASN 336 Cb 0.07 -0.15 0.13 0.00 -0.02 0.00 0.00 41.25 41.28 3fyy s ASN 336 CO 0.88 -0.24 1.11 -0.13 -2.57 0.00 0.00 177.10 176.15 3fyy s ARG 337 N 2.13 1.27 0.81 -0.60 0.52 -1.26 -4.72 118.95 117.09 3fyy s ARG 337 Ca 0.05 0.54 -0.12 0.00 -0.52 0.00 0.00 55.73 55.67 3fyy s ARG 337 Cb -0.12 -1.83 0.09 0.00 0.52 0.00 0.00 34.95 33.60 3fyy s ARG 337 CO -0.03 -2.16 1.16 0.14 0.02 0.00 0.00 175.30 174.43 3fyy s VAL 338 N -3.11 2.38 -0.23 3.52 -7.23 -1.26 -5.00 120.40 109.46 3fyy s VAL 338 Ca 0.63 0.15 -0.08 0.00 -1.81 0.00 0.00 61.98 60.87 3fyy s VAL 338 Cb -0.16 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 3fyy s VAL 338 CO 0.55 -0.14 0.10 0.42 -0.31 0.00 0.00 175.10 175.73 3fyy s THR 339 N -2.41 4.78 0.05 5.32 -4.23 -1.26 -5.06 115.64 112.83 3fyy s THR 339 Ca 0.69 -0.02 0.07 0.00 -1.18 0.00 0.00 61.69 61.25 3fyy s THR 339 Cb -0.24 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.34 3fyy s THR 339 CO 0.52 0.36 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.47 3fyy s TYR 340 N 1.21 2.57 -0.28 3.99 2.02 -1.26 -1.53 117.35 124.07 3fyy s TYR 340 Ca 0.05 -0.25 -0.12 0.00 -0.37 0.00 0.00 57.07 56.38 3fyy s TYR 340 Cb -0.14 -1.45 0.11 0.00 -0.40 0.00 0.00 41.96 40.07 3fyy s TYR 340 CO 0.04 0.28 0.64 0.21 -1.57 0.00 0.00 175.55 175.16 3fyy s LYS 341 N -1.54 0.61 -1.41 -0.62 2.47 -0.58 -4.92 119.74 113.74 3fyy s LYS 341 Ca 0.15 1.32 -0.05 0.00 -1.56 0.00 0.00 55.97 55.84 3fyy s LYS 341 Cb -0.11 0.52 0.02 0.00 -1.46 0.00 0.00 37.83 36.81 3fyy s LYS 341 CO 0.06 -0.18 0.38 -0.25 0.16 0.00 0.00 175.35 175.52 3fyy n ASP 342 N 4.95 -4.96 -0.03 1.43 10.43 -1.26 -1.55 116.55 125.56 3fyy n ASP 342 Ca -0.15 -0.19 -0.00 0.00 2.57 0.00 0.00 54.79 57.01 3fyy n ASP 342 Cb 0.53 -4.08 -0.00 0.00 1.84 0.00 0.00 41.12 39.41 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 -1.22 0.42 3.38 0.44 0.00 -0.77 -4.77 105.19 102.67 3fyy n GLY 343 Ca -0.11 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.01 2.40 -0.21 1.61 2.02 -0.60 -0.38 117.35 120.19 3fyy s TYR 344 Ca 0.00 -0.36 -0.08 0.00 -0.37 0.00 0.00 57.07 56.26 3fyy s TYR 344 Cb 0.00 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 40.09 3fyy s TYR 344 CO 0.00 0.15 0.09 -1.17 -1.57 0.00 0.00 175.55 173.05 3fyy s LEU 345 N -1.24 3.84 -0.09 -1.29 2.96 0.09 -1.53 118.68 121.42 3fyy s LEU 345 Ca 0.12 0.04 -0.10 0.00 -0.22 0.00 0.00 54.13 53.98 3fyy s LEU 345 Cb -0.10 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 3fyy s LEU 345 CO 0.03 0.11 0.23 -0.31 -1.32 0.00 0.00 176.35 175.09 3fyy s TYR 346 N 0.76 3.63 0.09 5.38 2.02 -0.58 -1.29 117.35 127.35 3fyy s TYR 346 Ca 0.05 0.67 -0.30 0.00 -0.37 0.00 0.00 57.07 57.11 3fyy s TYR 346 Cb -0.13 -2.07 -0.06 0.00 -0.40 0.00 0.00 41.96 39.30 3fyy s TYR 346 CO 0.02 0.67 1.19 0.00 -1.57 0.00 0.00 175.55 175.86 3fyy s ALA 347 N -0.93 3.39 0.49 3.71 0.00 -1.05 -4.59 121.76 122.78 3fyy s ALA 347 Ca 0.18 0.86 -0.20 0.00 0.00 0.00 0.00 51.96 52.79 3fyy s ALA 347 Cb -0.13 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 3fyy s ALA 347 CO 0.07 -0.40 0.52 -2.30 0.00 0.00 0.00 175.76 173.64 3fyy n PRO 348 N 3.58 0.55 -1.56 0.00 -0.02 -1.26 -4.70 135.00 131.58 3fyy n PRO 348 Ca 0.08 0.21 -0.61 0.00 -2.02 0.00 0.00 63.50 61.15 3fyy n PRO 348 Cb 0.46 -1.59 -0.09 0.00 -0.02 0.00 0.00 33.50 32.26 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 0.97 1.08 0.21 2.55 -0.08 -1.26 -4.78 116.55 115.23 3fyy n ASP 349 Ca 0.11 1.06 0.15 0.00 -1.51 0.00 0.00 54.79 54.60 3fyy n ASP 349 Cb 0.44 -0.79 0.70 0.00 2.34 0.00 0.00 41.12 43.81 3fyy n ASP 349 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3fyy h ARG 350 N 4.54 0.00 0.00 -0.67 2.43 -2.01 -1.97 114.38 116.69 3fyy h ARG 350 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3fyy h ARG 350 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3fyy h ARG 350 CO 0.88 0.00 -0.05 0.77 -1.51 0.00 0.00 179.97 180.06 3fyy h SER 351 N 0.00 0.00 -3.38 -3.80 0.02 -2.00 -3.36 113.55 101.03 3fyy h SER 351 Ca 0.00 -0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 3fyy h SER 351 Cb 0.17 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.64 3fyy h SER 351 CO 0.00 0.00 0.07 -0.69 -1.14 0.00 0.00 176.83 175.07 3fyy s VAL 352 N -3.18 5.06 0.73 2.27 1.01 -0.74 -4.91 120.40 120.63 3fyy s VAL 352 Ca 0.08 1.24 -0.11 0.00 0.00 0.00 0.00 61.98 63.19 3fyy s VAL 352 Cb 0.07 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.53 3fyy s VAL 352 CO 0.66 0.19 1.08 -1.59 0.00 0.00 0.00 175.10 175.44 3fyy s LYS 353 N 1.33 2.59 3.05 2.72 -2.85 -1.26 -3.97 119.74 121.35 3fyy s LYS 353 Ca 0.31 1.11 0.00 0.00 -1.00 0.00 0.00 55.97 56.39 3fyy s LYS 353 Cb -0.16 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.67 3fyy s LYS 353 CO 0.13 -1.38 0.00 0.41 0.10 0.00 0.00 175.35 174.61 3fyy n GLY 354 N -1.44 -0.30 0.21 0.59 0.00 0.24 -3.71 105.19 100.78 3fyy n GLY 354 Ca 0.09 -1.07 0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.88 -0.47 115.31 119.80 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 0.21 0.00 0.61 -0.34 0.00 0.00 178.44 178.92 3fyy n GLY 356 N 0.45 0.62 3.21 3.75 0.00 -1.24 -4.77 105.19 107.22 3fyy n GLY 356 Ca 0.01 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 1.47 -0.06 -0.61 -1.09 -1.26 -4.92 121.20 112.73 3fyy s ILE 357 Ca 0.00 -1.15 0.03 0.00 -2.23 0.00 0.00 60.65 57.30 3fyy s ILE 357 Cb 0.00 -1.30 0.01 0.00 -1.58 0.00 0.00 42.46 39.59 3fyy s ILE 357 CO 0.00 0.12 -0.14 -0.70 -1.23 0.00 0.00 174.94 172.99 3fyy s GLU 358 N -1.21 1.75 0.57 2.79 2.12 -1.26 -5.06 118.70 118.40 3fyy s GLU 358 Ca 0.05 -0.47 -0.18 0.00 0.36 0.00 0.00 54.97 54.73 3fyy s GLU 358 Cb -0.09 -1.45 -0.04 0.00 0.26 0.00 0.00 34.13 32.81 3fyy s GLU 358 CO 0.02 0.08 1.12 -0.51 -0.54 0.00 0.00 175.26 175.43 3fyy s LEU 359 N 0.50 3.66 -0.33 2.70 1.43 -1.26 -0.91 118.68 124.47 3fyy s LEU 359 Ca -0.12 2.12 0.03 0.00 -1.03 0.00 0.00 54.13 55.13 3fyy s LEU 359 Cb -0.15 -4.57 0.09 0.00 0.03 0.00 0.00 46.19 41.59 3fyy s LEU 359 CO 0.04 -1.31 0.03 -0.62 0.23 0.00 0.00 176.35 174.72 3fyy s ASP 360 N -1.99 4.75 0.32 2.29 3.68 0.67 -4.54 116.67 121.84 3fyy s ASP 360 Ca 0.71 -2.01 0.08 0.00 2.13 0.00 0.00 52.55 53.47 3fyy s ASP 360 Cb -0.23 -1.63 0.83 0.00 -1.45 0.00 0.00 42.92 40.44 3fyy s ASP 360 CO 0.30 -0.36 1.76 -0.33 0.13 0.00 0.00 175.17 176.67 3fyy h GLU 361 N 7.67 0.64 -0.31 4.34 4.39 -1.95 0.11 114.58 129.47 3fyy h GLU 361 Ca -0.07 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 3fyy h GLU 361 Cb 1.03 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 3fyy h GLU 361 CO 0.52 0.43 -0.04 0.66 -1.16 0.00 0.00 179.01 179.42 3fyy h SER 362 N 0.66 0.47 0.87 1.42 4.64 -1.95 -1.47 113.55 118.19 3fyy h SER 362 Ca 0.61 -0.09 -0.22 0.00 -0.47 0.00 0.00 61.79 61.62 3fyy h SER 362 Cb 1.07 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 3fyy h SER 362 CO -0.42 0.56 -1.02 -0.07 -0.87 0.00 0.00 176.83 175.02 3fyy h LEU 363 N 0.47 0.11 -0.64 5.97 3.38 -1.20 -1.62 115.31 121.78 3fyy h LEU 363 Ca 0.10 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3fyy h LEU 363 Cb 0.37 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3fyy h LEU 363 CO 0.01 1.05 0.19 -0.07 0.09 0.00 0.00 178.44 179.72 3fyy h LEU 364 N 0.02 0.94 -0.28 1.67 3.38 -0.66 -2.02 115.31 118.37 3fyy h LEU 364 Ca -0.04 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 3fyy h LEU 364 Cb 1.75 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 3fyy h LEU 364 CO 0.14 0.91 -0.11 0.00 0.09 0.00 0.00 178.44 179.47 3fyy h ALA 365 N 1.07 0.40 -0.61 1.53 0.00 -1.27 -1.57 119.26 118.80 3fyy h ALA 365 Ca 0.21 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3fyy h ALA 365 Cb 0.30 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3fyy h ALA 365 CO -0.01 0.25 0.34 -0.22 0.00 0.00 0.00 179.25 179.62 3fyy h LYS 366 N 0.32 0.62 -0.64 0.00 3.64 -1.13 -2.60 116.57 116.78 3fyy h LYS 366 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3fyy h LYS 366 Cb 0.61 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3fyy h LYS 366 CO 0.04 0.41 0.00 0.66 -2.27 0.00 0.00 179.45 178.29 3fyy n TYR 367 N -4.81 1.00 -1.89 1.91 4.01 -0.77 -4.98 117.16 111.63 3fyy n TYR 367 Ca 0.07 -0.46 -0.39 0.00 -0.16 0.00 0.00 57.90 56.96 3fyy n TYR 367 Cb 0.15 -0.07 0.01 0.00 -0.31 0.00 0.00 39.34 39.12 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 -1.34 3.65 0.02 -0.72 0.74 -0.60 -0.80 119.66 120.61 3fyy s GLN 368 Ca 0.44 2.27 0.05 0.00 0.05 0.00 0.00 55.36 58.17 3fyy s GLN 368 Cb 0.24 -2.58 -0.02 0.00 1.10 0.00 0.00 33.01 31.75 3fyy s GLN 368 CO 0.27 -0.79 -0.15 0.08 -0.55 0.00 0.00 175.29 174.15 3fyy s VAL 369 N -1.26 1.17 0.46 1.34 1.01 -0.26 -4.73 120.40 118.13 3fyy s VAL 369 Ca 0.62 -0.90 0.12 0.00 0.00 0.00 0.00 61.98 61.83 3fyy s VAL 369 Cb -0.41 -1.03 0.23 0.00 0.00 0.00 0.00 36.38 35.18 3fyy s VAL 369 CO 0.51 0.12 2.06 1.55 0.00 0.00 0.00 175.10 179.34 3fyy h PRO 370 N 5.19 0.17 0.00 2.72 0.13 -1.96 -3.41 132.00 134.85 3fyy h PRO 370 Ca -0.37 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3fyy h PRO 370 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3fyy h PRO 370 CO 0.45 0.18 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 3fyy n ASP 371 N -4.44 0.00 -1.53 1.44 5.68 -1.26 -5.01 116.55 111.44 3fyy n ASP 371 Ca -0.01 -0.84 -0.02 0.00 -0.50 0.00 0.00 54.79 53.41 3fyy n ASP 371 Cb 0.14 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.39 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 5.10 -4.74 -2.12 4.77 -1.26 -4.92 117.00 113.83 3fyy n LEU 372 Ca 0.00 -3.31 -0.35 0.00 -0.03 0.00 0.00 56.01 52.32 3fyy n LEU 372 Cb 0.00 -0.67 0.06 0.00 -2.33 0.00 0.00 43.42 40.48 3fyy n LEU 372 CO 0.00 0.88 0.83 -0.94 -1.33 0.00 0.00 177.39 176.83 3fyy s SER 373 N -1.63 4.79 0.86 -1.43 1.04 -1.26 -4.75 113.70 111.32 3fyy s SER 373 Ca 0.50 2.37 -0.13 0.00 0.48 0.00 0.00 55.95 59.17 3fyy s SER 373 Cb 0.41 -2.59 0.13 0.00 0.10 0.00 0.00 66.02 64.07 3fyy s SER 373 CO 0.09 -1.86 1.21 0.26 0.98 0.00 0.00 173.24 173.92 3fyy s TRP 374 N -1.76 2.28 -0.05 5.02 0.52 -1.26 -5.09 118.94 118.60 3fyy s TRP 374 Ca 0.76 0.47 0.00 0.00 0.02 0.00 0.00 56.10 57.35 3fyy s TRP 374 Cb -0.30 -3.71 0.00 0.00 -1.15 0.00 0.00 33.47 28.31 3fyy s TRP 374 CO 0.38 -2.12 0.51 -0.25 0.02 0.00 0.00 176.95 175.50