#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lla h HIS 3 N 0.00 0.00 -0.20 1.96 2.76 -1.98 0.27 115.15 117.96 1lla h HIS 3 Ca 0.00 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1lla h HIS 3 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 1lla h HIS 3 CO 0.00 0.06 -0.32 -0.44 -1.30 0.00 0.00 177.93 175.93 1lla h ASP 4 N 0.00 0.64 -0.66 3.26 3.32 -1.99 -1.41 116.42 119.57 1lla h ASP 4 Ca -0.00 -0.52 0.07 0.00 0.02 0.00 0.00 57.03 56.60 1lla h ASP 4 Cb 0.13 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 1lla h ASP 4 CO 0.01 1.04 0.35 0.11 -1.72 0.00 0.00 179.24 179.02 1lla h LYS 5 N 0.26 0.61 -0.73 3.56 1.57 -1.88 -2.24 116.57 117.71 1lla h LYS 5 Ca 0.02 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1lla h LYS 5 Cb 0.91 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1lla h LYS 5 CO 0.07 0.40 0.29 0.37 -0.57 0.00 0.00 179.45 180.01 1lla h GLN 6 N 0.63 1.09 -0.08 3.15 5.75 -0.26 -1.46 115.11 123.92 1lla h GLN 6 Ca 0.31 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1lla h GLN 6 Cb 0.25 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 1lla h GLN 6 CO -0.21 0.88 0.03 0.82 -2.65 0.00 0.00 178.83 177.70 1lla h ILE 7 N 1.06 1.17 -0.05 2.39 2.04 -1.05 -1.40 117.51 121.68 1lla h ILE 7 Ca 0.24 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1lla h ILE 7 Cb 0.21 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1lla h ILE 7 CO -0.02 0.15 -0.18 0.03 0.00 0.00 0.00 178.15 178.12 1lla h ARG 8 N -0.05 0.07 -0.15 2.37 3.08 -1.17 -1.92 114.38 116.61 1lla h ARG 8 Ca 0.03 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1lla h ARG 8 Cb 0.21 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1lla h ARG 8 CO -0.00 0.26 -0.25 0.82 -1.07 0.00 0.00 179.97 179.73 1lla h ILE 9 N 0.07 1.36 -0.86 2.04 2.04 -1.07 -3.14 117.51 117.94 1lla h ILE 9 Ca 0.01 -1.48 0.17 0.00 1.00 0.00 0.00 64.86 64.56 1lla h ILE 9 Cb 0.37 1.95 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1lla h ILE 9 CO 0.03 0.44 0.56 0.00 0.00 0.00 0.00 178.15 179.18 1lla h HIS 11 N 0.53 0.25 0.00 0.00 3.86 -1.34 -2.08 115.15 116.36 1lla h HIS 11 Ca 0.44 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.59 1lla h HIS 11 Cb 0.90 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.31 1lla h HIS 11 CO -0.00 0.51 -0.03 -0.07 0.86 0.00 0.00 177.93 179.20 1lla h LEU 12 N 0.20 0.00 -1.75 2.43 3.38 -0.84 -2.92 115.31 115.81 1lla h LEU 12 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1lla h LEU 12 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1lla h LEU 12 CO 0.05 0.03 0.00 0.49 0.09 0.00 0.00 178.44 179.09 1lla n PHE 13 N -3.24 0.03 -2.91 1.13 3.72 -0.81 -4.90 117.46 110.49 1lla n PHE 13 Ca -0.02 -0.02 -0.40 0.00 -0.05 0.00 0.00 57.45 56.96 1lla n PHE 13 Cb 0.18 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.67 1lla n PHE 13 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1lla s GLU 14 N -1.48 4.58 -1.64 -1.08 2.12 -1.07 -4.02 118.70 116.11 1lla s GLU 14 Ca 0.22 1.20 -0.15 0.00 0.36 0.00 0.00 54.97 56.60 1lla s GLU 14 Cb 0.15 -3.34 0.12 0.00 0.26 0.00 0.00 34.13 31.33 1lla s GLU 14 CO 0.23 0.35 0.74 1.04 -0.54 0.00 0.00 175.26 177.07 1lla n GLN 15 N 2.43 -3.40 0.21 4.30 1.13 0.10 -4.84 117.38 117.31 1lla n GLN 15 Ca -0.02 0.40 0.07 0.00 -1.94 0.00 0.00 57.00 55.50 1lla n GLN 15 Cb 0.49 -5.02 0.45 0.00 0.11 0.00 0.00 30.24 26.27 1lla n GLN 15 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1lla h LEU 16 N -1.62 0.00 -2.00 1.08 5.85 -1.80 0.55 115.31 117.37 1lla h LEU 16 Ca -0.60 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.10 1lla h LEU 16 Cb 1.38 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 1lla h LEU 16 CO 0.74 0.30 -0.09 0.28 -0.34 0.00 0.00 178.44 179.33 1lla h SER 17 N 0.00 0.00 -0.05 1.25 0.02 -1.86 -3.01 113.55 109.90 1lla h SER 17 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lla h SER 17 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1lla h SER 17 CO 0.04 0.09 0.00 -1.20 -1.14 0.00 0.00 176.83 174.62 1lla n SER 18 N -3.55 2.74 0.02 3.07 7.64 0.14 -4.67 113.62 119.02 1lla n SER 18 Ca -0.02 -1.91 0.10 0.00 1.01 0.00 0.00 58.87 58.05 1lla n SER 18 Cb 0.22 -0.02 0.53 0.00 -1.01 0.00 0.00 64.21 63.93 1lla n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lla h ALA 19 N 4.63 1.98 -2.72 -0.43 0.00 -1.30 -3.52 119.26 117.90 1lla h ALA 19 Ca 0.00 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 1lla h ALA 19 Cb 0.90 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1lla h ALA 19 CO 0.00 -0.06 0.34 0.99 0.00 0.00 0.00 179.25 180.52 1lla s THR 20 N -5.32 4.17 0.00 0.00 2.01 -1.26 -4.44 115.64 110.81 1lla s THR 20 Ca -0.07 2.06 0.00 0.00 0.31 0.00 0.00 61.69 63.99 1lla s THR 20 Cb 0.18 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1lla s THR 20 CO 0.73 0.47 0.00 1.41 -0.69 0.00 0.00 174.62 176.54 1lla n HIS 30 N 1.73 0.00 0.00 4.92 -0.00 -1.26 -5.03 115.22 115.57 1lla n HIS 30 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 1lla n HIS 30 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 1lla n HIS 30 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1lla n SER 31 N 0.00 0.00 0.15 0.41 2.88 -1.26 -4.89 113.62 110.91 1lla n SER 31 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1lla n SER 31 Cb 0.00 0.00 0.74 0.00 -0.75 0.00 0.00 64.21 64.20 1lla n SER 31 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1lla h ASP 32 N 0.00 0.00 -0.63 -3.46 1.82 -2.07 -2.37 116.42 109.71 1lla h ASP 32 Ca 0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.57 1lla h ASP 32 Cb 0.00 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 1lla h ASP 32 CO 0.00 0.00 0.10 0.03 -1.61 0.00 0.00 179.24 177.76 1lla h ARG 33 N 0.00 1.04 -0.91 0.28 3.08 -2.03 -2.90 114.38 112.94 1lla h ARG 33 Ca 0.12 -0.28 -0.13 0.00 0.07 0.00 0.00 59.98 59.76 1lla h ARG 33 Cb 0.54 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 1lla h ARG 33 CO -0.00 0.97 0.16 1.28 -1.07 0.00 0.00 179.97 181.31 1lla n LEU 34 N -4.27 4.01 -0.10 3.04 4.77 -0.89 -4.37 117.00 119.18 1lla n LEU 34 Ca 0.04 -2.07 -0.11 0.00 -0.03 0.00 0.00 56.01 53.84 1lla n LEU 34 Cb 0.28 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 1lla n LEU 34 CO 0.42 0.60 0.81 0.07 -1.33 0.00 0.00 177.39 177.96 1lla h LYS 35 N 1.10 0.50 -0.83 3.23 2.10 -1.52 -3.29 116.57 117.86 1lla h LYS 35 Ca 0.16 -0.14 -0.09 0.00 -2.00 0.00 0.00 60.65 58.58 1lla h LYS 35 Cb 1.55 -0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 32.77 1lla h LYS 35 CO 0.38 0.61 0.12 0.09 -2.00 0.00 0.00 179.45 178.64 1lla n ASN 36 N -4.63 3.68 -4.09 7.07 3.02 -1.26 -4.84 115.26 114.22 1lla n ASN 36 Ca -0.02 -2.67 -0.09 0.00 -0.03 0.00 0.00 54.58 51.76 1lla n ASN 36 Cb 0.22 -0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 38.65 1lla n ASN 36 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1lla s VAL 37 N -2.00 0.38 0.00 2.41 0.11 -1.24 -4.82 120.40 115.23 1lla s VAL 37 Ca 0.32 -1.56 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 1lla s VAL 37 Cb 0.26 -1.18 0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1lla s VAL 37 CO 0.08 -0.77 0.00 0.61 -3.33 0.00 0.00 175.10 171.69 1lla n GLY 38 N 0.57 1.11 0.08 6.54 0.00 -1.26 -5.02 105.19 107.20 1lla n GLY 38 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1lla n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lla h LYS 39 N 0.00 0.00 -6.40 1.61 1.57 -1.93 -3.45 116.57 107.97 1lla h LYS 39 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1lla h LYS 39 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1lla h LYS 39 CO 0.00 0.35 0.93 -1.17 -0.57 0.00 0.00 179.45 178.99 1lla s LEU 40 N -8.16 4.34 0.30 2.94 2.96 -1.26 -4.96 118.68 114.84 1lla s LEU 40 Ca -0.17 2.31 -0.29 0.00 -0.22 0.00 0.00 54.13 55.75 1lla s LEU 40 Cb 0.03 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 43.05 1lla s LEU 40 CO 0.33 -0.82 1.50 -1.10 -1.32 0.00 0.00 176.35 174.94 1lla s GLN 41 N 2.63 4.18 0.45 1.98 -1.52 -1.26 -3.60 119.66 122.52 1lla s GLN 41 Ca 0.70 2.47 -0.22 0.00 -1.95 0.00 0.00 55.36 56.36 1lla s GLN 41 Cb -0.36 -3.04 -0.11 0.00 -0.22 0.00 0.00 33.01 29.28 1lla s GLN 41 CO 0.30 -0.51 0.60 -2.30 -0.25 0.00 0.00 175.29 173.12 1lla n PRO 42 N 1.72 0.66 0.00 2.91 -0.02 -1.26 -2.19 135.00 136.82 1lla n PRO 42 Ca 0.05 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1lla n PRO 42 Cb 0.39 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1lla n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lla n GLY 43 N 1.71 2.37 3.75 -1.23 0.00 -1.26 -5.01 105.19 105.53 1lla n GLY 43 Ca 0.11 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1lla n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lla s ALA 44 N -0.93 2.90 0.06 4.61 0.00 -0.93 -4.54 121.76 122.92 1lla s ALA 44 Ca 0.00 1.31 -0.31 0.00 0.00 0.00 0.00 51.96 52.96 1lla s ALA 44 Cb 0.00 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 1lla s ALA 44 CO 0.00 -1.27 1.31 0.42 0.00 0.00 0.00 175.76 176.22 1lla s ILE 45 N -1.31 3.72 0.09 0.00 1.01 -1.26 -4.80 121.20 118.65 1lla s ILE 45 Ca 0.69 1.20 -0.29 0.00 0.00 0.00 0.00 60.65 62.25 1lla s ILE 45 Cb -0.40 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 1lla s ILE 45 CO 0.48 0.06 0.92 0.12 0.00 0.00 0.00 174.94 176.51 1lla s PHE 46 N 1.50 3.78 -0.22 3.97 5.36 -1.26 -4.97 117.98 126.14 1lla s PHE 46 Ca 0.62 1.72 -0.09 0.00 -0.96 0.00 0.00 56.93 58.22 1lla s PHE 46 Cb -0.32 -3.00 -0.04 0.00 -0.34 0.00 0.00 43.02 39.31 1lla s PHE 46 CO 0.28 0.21 0.11 0.45 -1.46 0.00 0.00 175.22 174.81 1lla s SER 47 N 0.06 5.79 0.00 6.13 0.15 -1.26 -4.59 113.70 119.97 1lla s SER 47 Ca 0.45 0.06 0.19 0.00 0.70 0.00 0.00 55.95 57.35 1lla s SER 47 Cb -0.22 -2.02 1.15 0.00 -1.71 0.00 0.00 66.02 63.21 1lla s SER 47 CO 0.28 0.09 1.65 0.00 1.20 0.00 0.00 173.24 176.46 1lla n PHE 49 N -0.85 0.00 -2.49 0.00 3.72 -1.26 -4.94 117.46 111.64 1lla n PHE 49 Ca 0.14 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.13 1lla n PHE 49 Cb 0.07 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 1lla n PHE 49 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1lla s HIS 50 N -1.36 3.52 0.31 1.38 2.46 -1.26 -4.74 115.29 115.60 1lla s HIS 50 Ca 0.00 1.45 0.06 0.00 0.47 0.00 0.00 55.06 57.04 1lla s HIS 50 Cb 0.00 -3.33 0.72 0.00 -0.13 0.00 0.00 32.58 29.84 1lla s HIS 50 CO 0.00 -0.89 1.80 -1.35 -2.47 0.00 0.00 174.74 171.83 1lla h PRO 51 N 6.28 0.77 0.00 2.88 0.11 -1.96 -2.07 132.00 138.02 1lla h PRO 51 Ca -0.42 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1lla h PRO 51 Cb 1.21 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1lla h PRO 51 CO 0.78 0.51 -0.67 -0.44 -0.21 0.00 0.00 178.00 177.97 1lla h ASP 52 N 0.80 0.00 0.02 -2.05 3.32 -1.97 -1.50 116.42 115.03 1lla h ASP 52 Ca 0.55 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.38 1lla h ASP 52 Cb 0.81 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.38 1lla h ASP 52 CO -0.33 0.67 -0.85 0.45 -1.72 0.00 0.00 179.24 177.46 1lla h HIS 53 N 0.00 0.82 0.00 4.55 3.86 -1.68 -3.05 115.15 119.65 1lla h HIS 53 Ca -0.01 -0.46 -0.02 0.00 -1.16 0.00 0.00 60.37 58.73 1lla h HIS 53 Cb 1.23 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.61 1lla h HIS 53 CO 0.00 1.29 -0.09 -0.07 0.86 0.00 0.00 177.93 179.92 1lla h LEU 54 N 0.11 0.00 -0.13 2.43 3.38 -1.39 -0.14 115.31 119.58 1lla h LEU 54 Ca -0.11 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.62 1lla h LEU 54 Cb 1.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.30 1lla h LEU 54 CO 0.17 0.09 -0.87 -0.08 0.09 0.00 0.00 178.44 177.84 1lla h GLU 55 N 0.00 0.72 -0.17 1.13 4.81 -1.26 -0.67 114.58 119.14 1lla h GLU 55 Ca -0.00 -0.65 -0.17 0.00 -0.13 0.00 0.00 59.36 58.41 1lla h GLU 55 Cb 0.25 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1lla h GLU 55 CO 0.01 1.25 -0.59 1.49 -0.73 0.00 0.00 179.01 180.45 1lla h GLU 56 N 0.46 0.56 -0.55 1.92 4.81 -1.19 -1.67 114.58 118.94 1lla h GLU 56 Ca -0.08 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 58.73 1lla h GLU 56 Cb 1.51 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.91 1lla h GLU 56 CO 0.17 0.99 0.13 0.00 -0.73 0.00 0.00 179.01 179.57 1lla h ALA 57 N 0.93 1.20 -0.50 2.92 0.00 -0.89 -2.05 119.26 120.87 1lla h ALA 57 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1lla h ALA 57 Cb 1.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1lla h ALA 57 CO 0.11 0.55 -0.16 -0.09 0.00 0.00 0.00 179.25 179.66 1lla h ARG 58 N 0.81 0.99 -0.69 0.00 2.43 -0.95 -2.10 114.38 114.87 1lla h ARG 58 Ca 0.18 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1lla h ARG 58 Cb 0.30 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1lla h ARG 58 CO -0.00 1.06 0.44 0.45 -1.51 0.00 0.00 179.97 180.41 1lla h HIS 59 N 0.87 0.89 -0.35 2.20 3.86 -0.76 -0.16 115.15 121.69 1lla h HIS 59 Ca 0.13 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1lla h HIS 59 Cb 0.72 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 1lla h HIS 59 CO 0.05 0.57 0.01 1.25 0.86 0.00 0.00 177.93 180.67 1lla h LEU 60 N 0.94 0.60 -0.77 2.43 5.85 -1.30 -2.35 115.31 120.71 1lla h LEU 60 Ca 0.25 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1lla h LEU 60 Cb -0.08 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1lla h LEU 60 CO -0.05 0.75 0.00 0.10 -0.34 0.00 0.00 178.44 178.90 1lla h TYR 61 N 0.43 0.00 0.30 1.25 -0.00 -1.01 -1.51 116.97 116.43 1lla h TYR 61 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.82 1lla h TYR 61 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.17 1lla h TYR 61 CO 0.03 0.00 -0.14 0.93 -0.00 0.00 0.00 178.16 178.98 1lla h GLU 62 N 0.00 -0.39 -0.81 0.10 5.08 -0.84 0.14 114.58 117.87 1lla h GLU 62 Ca 0.00 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.56 1lla h GLU 62 Cb 0.72 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.94 1lla h GLU 62 CO 0.00 -0.17 0.30 0.28 -1.00 0.00 0.00 179.01 178.42 1lla h VAL 63 N -0.53 0.54 -0.20 3.13 2.07 -0.87 0.22 116.25 120.61 1lla h VAL 63 Ca -0.04 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.22 1lla h VAL 63 Cb 0.40 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1lla h VAL 63 CO 0.07 0.07 -0.42 -0.26 0.02 0.00 0.00 177.57 177.05 1lla h PHE 64 N 0.38 0.55 -0.34 1.57 0.04 -1.14 -2.41 116.94 115.59 1lla h PHE 64 Ca 0.47 -0.16 -0.15 0.00 2.80 0.00 0.00 57.97 60.93 1lla h PHE 64 Cb 0.82 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 1lla h PHE 64 CO -0.19 0.81 -0.40 2.35 -0.60 0.00 0.00 178.31 180.28 1lla h TRP 65 N 0.38 0.99 -0.53 -0.55 2.91 0.11 -2.98 115.95 116.27 1lla h TRP 65 Ca 0.03 -0.30 0.00 0.00 1.13 0.00 0.00 58.89 59.76 1lla h TRP 65 Cb 0.89 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.33 1lla h TRP 65 CO 0.03 1.09 0.00 -0.85 -1.03 0.00 0.00 178.44 177.68 1lla n GLU 66 N -4.04 4.28 -2.00 2.65 0.28 -0.12 -4.88 120.64 116.81 1lla n GLU 66 Ca -0.02 -2.77 -0.42 0.00 -0.16 0.00 0.00 57.16 53.79 1lla n GLU 66 Cb 0.54 -2.11 -0.03 0.00 1.43 0.00 0.00 31.44 31.27 1lla n GLU 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1lla s ALA 67 N -2.41 3.67 0.37 -1.84 0.00 -0.92 -4.90 121.76 115.73 1lla s ALA 67 Ca 0.48 1.16 0.17 0.00 0.00 0.00 0.00 51.96 53.78 1lla s ALA 67 Cb 0.36 -3.65 1.09 0.00 0.00 0.00 0.00 23.12 20.92 1lla s ALA 67 CO 0.16 -0.98 1.71 0.78 0.00 0.00 0.00 175.76 177.43 1lla h GLY 68 N 8.12 1.59 -1.48 0.00 0.00 -1.91 -3.44 103.07 105.95 1lla h GLY 68 Ca -0.42 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 46.70 1lla h GLY 68 CO 0.92 -0.28 0.24 0.51 0.00 0.00 0.00 176.54 177.92 1lla s ASP 69 N -5.05 -0.08 0.24 0.19 -4.77 -1.26 -5.00 116.67 100.94 1lla s ASP 69 Ca -0.09 -0.95 -0.05 0.00 -3.30 0.00 0.00 52.55 48.16 1lla s ASP 69 Cb 0.28 0.80 0.41 0.00 -1.09 0.00 0.00 42.92 43.31 1lla s ASP 69 CO 0.80 -1.54 1.75 0.15 0.70 0.00 0.00 175.17 177.03 1lla h PHE 70 N 2.01 0.59 -0.10 2.11 3.57 -1.91 0.68 116.94 123.88 1lla h PHE 70 Ca -0.27 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.18 1lla h PHE 70 Cb 1.25 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1lla h PHE 70 CO 1.00 0.15 -0.31 -0.91 -2.23 0.00 0.00 178.31 176.01 1lla h ASN 71 N 0.53 0.18 0.15 0.41 2.35 -1.97 -0.28 115.58 116.95 1lla h ASN 71 Ca 0.39 -0.06 -0.25 0.00 -0.55 0.00 0.00 56.30 55.83 1lla h ASN 71 Cb 0.51 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.85 1lla h ASN 71 CO -0.34 0.50 -1.00 -0.78 -1.65 0.00 0.00 177.43 174.15 1lla h ASP 72 N 0.16 0.75 0.45 5.81 3.58 -1.34 -0.78 116.42 125.05 1lla h ASP 72 Ca 0.02 -0.60 -0.02 0.00 0.42 0.00 0.00 57.03 56.85 1lla h ASP 72 Cb 0.64 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1lla h ASP 72 CO 0.05 1.40 -0.22 0.15 -2.88 0.00 0.00 179.24 177.74 1lla h PHE 73 N 0.33 -0.56 -0.71 0.28 3.57 0.05 -0.80 116.94 119.10 1lla h PHE 73 Ca -0.11 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.49 1lla h PHE 73 Cb 1.65 0.19 -0.08 0.00 2.79 0.00 0.00 35.95 40.49 1lla h PHE 73 CO 0.08 -0.29 0.31 0.82 -2.23 0.00 0.00 178.31 177.01 1lla h ILE 74 N -0.72 0.76 0.13 1.41 1.08 -1.14 -0.91 117.51 118.12 1lla h ILE 74 Ca -0.06 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 1lla h ILE 74 Cb 0.52 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.48 1lla h ILE 74 CO 0.10 0.09 -0.06 -0.33 -0.69 0.00 0.00 178.15 177.26 1lla h GLU 75 N 0.51 -0.16 -0.46 2.37 3.07 -0.81 -1.32 114.58 117.77 1lla h GLU 75 Ca 0.37 0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 59.12 1lla h GLU 75 Cb 0.47 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1lla h GLU 75 CO -0.33 -0.09 -0.20 0.97 -1.40 0.00 0.00 179.01 177.97 1lla h ILE 76 N -0.19 1.27 0.17 3.13 6.09 -0.84 -2.39 117.51 124.75 1lla h ILE 76 Ca -0.02 -1.34 0.01 0.00 -1.37 0.00 0.00 64.86 62.14 1lla h ILE 76 Cb 0.15 1.12 -0.02 0.00 0.47 0.00 0.00 36.82 38.54 1lla h ILE 76 CO 0.03 0.46 -0.22 0.00 -3.07 0.00 0.00 178.15 175.35 1lla h ALA 77 N 0.97 -0.42 -0.99 0.18 0.00 -1.07 0.20 119.26 118.14 1lla h ALA 77 Ca 0.11 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.20 1lla h ALA 77 Cb 0.75 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 1lla h ALA 77 CO 0.06 -0.77 0.63 0.87 0.00 0.00 0.00 179.25 180.04 1lla h LYS 78 N -0.45 0.49 -0.04 0.00 1.57 -1.18 0.11 116.57 117.08 1lla h LYS 78 Ca 0.01 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1lla h LYS 78 Cb 0.44 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1lla h LYS 78 CO -0.09 0.33 -0.10 1.49 -0.57 0.00 0.00 179.45 180.51 1lla h GLU 79 N 0.51 0.13 -0.76 3.15 4.81 -0.75 -3.30 114.58 118.37 1lla h GLU 79 Ca 0.56 -0.09 0.09 0.00 -0.13 0.00 0.00 59.36 59.78 1lla h GLU 79 Cb 1.24 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.56 1lla h GLU 79 CO -0.30 0.71 0.42 0.00 -0.73 0.00 0.00 179.01 179.11 1lla h ALA 80 N 0.42 1.06 0.00 2.92 0.00 0.36 -2.01 119.26 122.02 1lla h ALA 80 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1lla h ALA 80 Cb 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1lla h ALA 80 CO 0.02 0.04 0.00 2.89 0.00 0.00 0.00 179.25 182.20 1lla n ARG 81 N -4.79 0.14 0.18 0.00 1.85 0.27 -1.24 116.66 113.06 1lla n ARG 81 Ca 0.12 0.19 0.09 0.00 -1.00 0.00 0.00 57.85 57.25 1lla n ARG 81 Cb 0.26 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.27 1lla n ARG 81 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1lla h THR 82 N 0.00 0.24 0.00 8.89 1.35 -1.47 -3.36 112.91 118.57 1lla h THR 82 Ca 0.00 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 1lla h THR 82 Cb 0.09 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1lla h THR 82 CO 0.00 0.14 -0.31 2.22 -0.25 0.00 0.00 175.52 177.32 1lla n PHE 83 N -3.07 0.00 -1.82 4.73 -1.74 -0.47 -4.19 117.46 110.90 1lla n PHE 83 Ca 0.02 0.00 -0.31 0.00 -0.56 0.00 0.00 57.45 56.61 1lla n PHE 83 Cb 0.60 0.00 0.03 0.00 1.52 0.00 0.00 39.48 41.63 1lla n PHE 83 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1lla s VAL 84 N -0.65 4.20 0.36 1.97 -7.23 -0.38 -4.59 120.40 114.09 1lla s VAL 84 Ca 0.00 0.72 -0.28 0.00 -1.81 0.00 0.00 61.98 60.61 1lla s VAL 84 Cb 0.00 -3.66 -0.12 0.00 0.56 0.00 0.00 36.38 33.16 1lla s VAL 84 CO 0.00 -0.94 1.36 -3.20 -0.31 0.00 0.00 175.10 172.01 1lla n ASN 85 N -2.91 3.11 0.17 4.85 2.85 -1.24 -4.67 115.26 117.43 1lla n ASN 85 Ca 0.06 1.20 0.06 0.00 -0.11 0.00 0.00 54.58 55.80 1lla n ASN 85 Cb 0.55 -1.54 0.10 0.00 1.24 0.00 0.00 39.78 40.13 1lla n ASN 85 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1lla h GLU 86 N 2.64 0.00 -0.07 1.20 9.09 -1.88 -2.07 114.58 123.49 1lla h GLU 86 Ca -0.48 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 58.82 1lla h GLU 86 Cb 1.27 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.38 1lla h GLU 86 CO 0.63 0.34 -0.38 0.78 0.05 0.00 0.00 179.01 180.43 1lla h GLY 87 N 3.53 0.42 0.54 1.06 0.00 -1.91 -2.19 103.07 104.53 1lla h GLY 87 Ca -0.00 -0.61 0.08 0.00 0.00 0.00 0.00 47.33 46.80 1lla h GLY 87 CO 0.04 0.54 0.34 -2.00 0.00 0.00 0.00 176.54 175.46 1lla h LEU 88 N -0.10 0.45 -0.12 3.11 6.46 -1.93 -1.20 115.31 121.99 1lla h LEU 88 Ca -0.03 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1lla h LEU 88 Cb 1.04 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.94 1lla h LEU 88 CO 0.08 0.27 0.05 0.15 -0.62 0.00 0.00 178.44 178.38 1lla h PHE 89 N 0.60 0.18 -0.65 1.25 3.57 -1.33 -0.01 116.94 120.55 1lla h PHE 89 Ca 0.32 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.82 1lla h PHE 89 Cb 0.30 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1lla h PHE 89 CO -0.11 0.25 0.43 0.00 -2.23 0.00 0.00 178.31 176.65 1lla h ALA 90 N 0.91 1.57 0.25 2.41 0.00 -1.05 0.99 119.26 124.34 1lla h ALA 90 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1lla h ALA 90 Cb 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1lla h ALA 90 CO -0.00 0.39 -0.12 0.35 0.00 0.00 0.00 179.25 179.87 1lla h PHE 91 N 0.85 -0.31 -0.61 0.00 3.04 -1.02 -1.19 116.94 117.69 1lla h PHE 91 Ca 0.24 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.10 1lla h PHE 91 Cb -0.06 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 1lla h PHE 91 CO -0.00 -0.06 0.04 0.00 -2.02 0.00 0.00 178.31 176.27 1lla h ALA 92 N 0.17 0.82 -0.61 2.41 0.00 -0.63 -2.31 119.26 119.11 1lla h ALA 92 Ca -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1lla h ALA 92 Cb 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1lla h ALA 92 CO 0.06 0.63 0.21 0.00 0.00 0.00 0.00 179.25 180.15 1lla h ALA 93 N 1.00 0.80 -0.49 0.00 0.00 -0.87 -1.13 119.26 118.57 1lla h ALA 93 Ca 0.18 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1lla h ALA 93 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1lla h ALA 93 CO 0.02 0.45 0.00 1.49 0.00 0.00 0.00 179.25 181.21 1lla h GLU 94 N 0.86 0.82 -0.83 0.00 4.81 -1.07 -1.02 114.58 118.16 1lla h GLU 94 Ca 0.20 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1lla h GLU 94 Cb 0.25 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1lla h GLU 94 CO -0.01 0.82 0.43 0.28 -0.73 0.00 0.00 179.01 179.80 1lla h VAL 95 N 0.76 1.25 -0.23 0.32 2.07 -1.19 -1.43 116.25 117.81 1lla h VAL 95 Ca 0.15 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1lla h VAL 95 Cb 0.46 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1lla h VAL 95 CO 0.02 0.29 0.02 0.00 0.02 0.00 0.00 177.57 177.92 1lla h ALA 96 N 1.23 0.31 -0.50 1.67 0.00 -0.76 -2.97 119.26 118.23 1lla h ALA 96 Ca 0.29 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1lla h ALA 96 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1lla h ALA 96 CO -0.04 0.01 -0.09 0.28 0.00 0.00 0.00 179.25 179.40 1lla h VAL 97 N 0.18 1.26 0.00 0.00 2.07 -1.06 -0.36 116.25 118.34 1lla h VAL 97 Ca 0.07 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 1lla h VAL 97 Cb 0.36 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1lla h VAL 97 CO 0.01 0.42 -0.04 -0.07 0.02 0.00 0.00 177.57 177.90 1lla h LEU 98 N 0.82 0.00 0.00 2.57 3.38 -1.23 -3.34 115.31 117.50 1lla h LEU 98 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1lla h LEU 98 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1lla h LEU 98 CO 0.04 0.04 -0.82 1.41 0.09 0.00 0.00 178.44 179.20 1lla n HIS 99 N -3.95 0.00 -2.24 1.13 8.25 -0.93 -4.99 115.22 112.48 1lla n HIS 99 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1lla n HIS 99 Cb 0.13 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 1lla n HIS 99 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1lla s ARG 100 N -1.81 4.39 0.38 -0.41 0.52 -0.19 -4.90 118.95 116.93 1lla s ARG 100 Ca 0.00 2.01 0.05 0.00 -0.52 0.00 0.00 55.73 57.27 1lla s ARG 100 Cb 0.00 -3.23 0.75 0.00 0.52 0.00 0.00 34.95 32.99 1lla s ARG 100 CO 0.00 -0.29 2.03 -0.44 0.02 0.00 0.00 175.30 176.63 1lla h ASP 101 N 5.90 0.59 -0.07 0.23 3.32 -1.92 -1.74 116.42 122.73 1lla h ASP 101 Ca -0.44 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1lla h ASP 101 Cb 1.21 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1lla h ASP 101 CO 0.80 0.44 0.00 -0.90 -1.72 0.00 0.00 179.24 177.85 1lla n ASP 102 N -4.45 1.01 0.00 6.45 5.68 -1.26 -2.69 116.55 121.29 1lla n ASP 102 Ca 0.05 -2.05 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 1lla n ASP 102 Cb 0.06 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 1lla n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1lla s LYS 104 N -0.39 4.14 0.00 0.00 1.02 -1.09 -1.08 119.74 122.33 1lla s LYS 104 Ca 0.00 2.56 0.00 0.00 0.02 0.00 0.00 55.97 58.55 1lla s LYS 104 Cb 0.00 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 1lla s LYS 104 CO 0.00 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.13 1lla n GLY 105 N 3.73 1.25 3.82 -3.33 0.00 -1.26 -5.04 105.19 104.35 1lla n GLY 105 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1lla n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lla s LEU 106 N 0.00 4.43 0.62 0.99 1.43 -0.24 -4.94 118.68 120.97 1lla s LEU 106 Ca 0.00 0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 1lla s LEU 106 Cb 0.00 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 1lla s LEU 106 CO 0.00 0.28 1.02 -0.31 0.23 0.00 0.00 176.35 177.56 1lla s TYR 107 N -0.77 3.58 -0.02 0.29 1.51 -1.26 -4.87 117.35 115.80 1lla s TYR 107 Ca 0.23 1.21 -0.02 0.00 -1.01 0.00 0.00 57.07 57.48 1lla s TYR 107 Cb -0.16 -2.73 -0.04 0.00 -0.11 0.00 0.00 41.96 38.92 1lla s TYR 107 CO 0.12 -0.72 0.12 0.08 -1.11 0.00 0.00 175.55 174.04 1lla s VAL 108 N -3.16 5.07 0.79 0.71 1.01 -1.26 -4.90 120.40 118.65 1lla s VAL 108 Ca 0.55 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.14 1lla s VAL 108 Cb -0.11 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1lla s VAL 108 CO 0.53 0.38 0.57 -2.65 0.00 0.00 0.00 175.10 173.93 1lla n PRO 109 N 1.21 0.16 -1.73 2.72 -0.02 -1.26 -4.92 135.00 131.15 1lla n PRO 109 Ca -0.13 0.10 -0.42 0.00 -2.02 0.00 0.00 63.50 61.03 1lla n PRO 109 Cb 0.53 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 1lla n PRO 109 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1lla s PRO 110 N -3.12 4.13 0.64 0.52 0.02 -1.26 -4.88 135.00 131.05 1lla s PRO 110 Ca 0.64 2.60 0.38 0.00 0.02 0.00 0.00 61.00 64.65 1lla s PRO 110 Cb -0.31 -3.19 2.17 0.00 0.02 0.00 0.00 34.50 33.19 1lla s PRO 110 CO 0.59 -0.77 2.31 -0.24 -0.33 0.00 0.00 177.00 178.56 1lla h VAL 111 N 4.01 0.21 0.00 3.83 3.04 -1.95 -1.26 116.25 124.13 1lla h VAL 111 Ca -0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 1lla h VAL 111 Cb 1.20 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1lla h VAL 111 CO 0.95 0.00 -0.07 0.06 -1.01 0.00 0.00 177.57 177.51 1lla h GLN 112 N 0.00 0.00 0.00 4.17 -0.00 -1.90 -0.67 115.11 116.71 1lla h GLN 112 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.47 1lla h GLN 112 Cb 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.49 1lla h GLN 112 CO -0.00 0.00 -1.45 0.39 -0.00 0.00 0.00 178.83 177.77 1lla n GLU 113 N -2.45 0.62 -0.04 0.06 1.02 -0.52 -2.69 120.64 116.63 1lla n GLU 113 Ca 0.05 0.24 -0.14 0.00 -0.02 0.00 0.00 57.16 57.29 1lla n GLU 113 Cb 0.46 -1.81 -0.08 0.00 -0.02 0.00 0.00 31.44 29.99 1lla n GLU 113 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1lla h ILE 114 N 0.00 1.38 -2.30 -3.67 2.04 -1.03 -3.13 117.51 110.80 1lla h ILE 114 Ca -0.18 -1.45 -0.59 0.00 1.00 0.00 0.00 64.86 63.64 1lla h ILE 114 Cb 1.64 2.08 -0.41 0.00 -0.74 0.00 0.00 36.82 39.39 1lla h ILE 114 CO 0.05 0.42 -0.75 0.49 0.00 0.00 0.00 178.15 178.36 1lla n PHE 115 N -4.54 2.22 -0.13 1.37 3.72 -0.29 -4.41 117.46 115.40 1lla n PHE 115 Ca -0.07 -3.97 0.18 0.00 -0.05 0.00 0.00 57.45 53.54 1lla n PHE 115 Cb 0.40 -0.45 0.57 0.00 -0.94 0.00 0.00 39.48 39.06 1lla n PHE 115 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1lla h PRO 116 N 4.45 0.27 0.00 -1.08 0.11 -1.71 -0.87 132.00 133.16 1lla h PRO 116 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1lla h PRO 116 Cb 0.75 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1lla h PRO 116 CO 0.69 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.25 1lla n ASP 117 N -4.44 0.00 -0.07 -2.05 5.75 -1.26 -1.58 116.55 112.90 1lla n ASP 117 Ca 0.14 -0.27 0.11 0.00 -0.01 0.00 0.00 54.79 54.76 1lla n ASP 117 Cb 0.60 -0.13 0.10 0.00 -1.03 0.00 0.00 41.12 40.66 1lla n ASP 117 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1lla n LYS 118 N -1.13 0.18 -0.00 0.11 5.02 -0.33 -4.15 118.16 117.87 1lla n LYS 118 Ca 0.11 -0.13 0.01 0.00 -2.02 0.00 0.00 58.31 56.27 1lla n LYS 118 Cb 0.09 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.60 1lla n LYS 118 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1lla n PHE 119 N -1.29 0.00 -4.57 2.13 3.01 -0.62 -4.86 117.46 111.27 1lla n PHE 119 Ca 0.06 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.30 1lla n PHE 119 Cb 0.35 -0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.67 1lla n PHE 119 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1lla s ILE 120 N -1.16 1.05 0.46 4.37 1.01 -0.81 -4.91 121.20 121.21 1lla s ILE 120 Ca 0.01 -0.61 -0.23 0.00 0.00 0.00 0.00 60.65 59.81 1lla s ILE 120 Cb 0.01 -0.88 -0.09 0.00 0.01 0.00 0.00 42.46 41.51 1lla s ILE 120 CO 0.06 0.26 0.97 -2.65 0.00 0.00 0.00 174.94 173.58 1lla n PRO 121 N 2.65 1.21 -0.32 2.79 -0.02 -1.26 -4.74 135.00 135.30 1lla n PRO 121 Ca -0.15 0.44 0.23 0.00 -2.02 0.00 0.00 63.50 62.00 1lla n PRO 121 Cb 0.55 -2.04 0.44 0.00 -0.02 0.00 0.00 33.50 32.44 1lla n PRO 121 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1lla h SER 122 N 1.26 0.21 -0.41 2.55 0.02 -1.52 -0.91 113.55 114.74 1lla h SER 122 Ca -0.45 0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1lla h SER 122 Cb 1.35 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 64.11 1lla h SER 122 CO 0.55 -0.26 0.19 0.00 -1.14 0.00 0.00 176.83 176.17 1lla h ALA 123 N 1.90 0.50 -0.40 3.77 0.00 -1.90 0.32 119.26 123.45 1lla h ALA 123 Ca 0.71 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.49 1lla h ALA 123 Cb 1.67 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1lla h ALA 123 CO -0.71 -0.17 -0.37 0.00 0.00 0.00 0.00 179.25 178.00 1lla h ALA 124 N 1.22 0.59 -0.82 0.00 0.00 -1.52 -1.87 119.26 116.87 1lla h ALA 124 Ca 0.18 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1lla h ALA 124 Cb 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1lla h ALA 124 CO -0.13 0.68 0.38 0.82 0.00 0.00 0.00 179.25 181.00 1lla h ILE 125 N 0.78 1.26 0.11 0.00 1.08 -1.21 0.33 117.51 119.84 1lla h ILE 125 Ca 0.07 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1lla h ILE 125 Cb 0.96 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1lla h ILE 125 CO 0.09 0.31 -0.05 -1.13 -0.69 0.00 0.00 178.15 176.68 1lla h ASN 126 N 1.16 -0.12 -0.94 1.72 -0.00 0.05 0.15 115.58 117.60 1lla h ASN 126 Ca 0.28 -0.35 0.10 0.00 -0.00 0.00 0.00 56.30 56.33 1lla h ASN 126 Cb 0.13 0.03 -0.08 0.00 -0.00 0.00 0.00 38.32 38.41 1lla h ASN 126 CO -0.03 0.30 0.58 -0.08 -0.00 0.00 0.00 177.43 178.20 1lla h GLU 127 N -0.57 0.94 -0.19 6.67 4.81 -1.26 0.85 114.58 125.83 1lla h GLU 127 Ca -0.01 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 1lla h GLU 127 Cb 0.46 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1lla h GLU 127 CO 0.02 0.62 -0.34 0.00 -0.73 0.00 0.00 179.01 178.59 1lla h ALA 128 N 1.49 1.06 0.00 2.92 0.00 -0.67 0.52 119.26 124.58 1lla h ALA 128 Ca 0.45 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1lla h ALA 128 Cb 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1lla h ALA 128 CO -0.24 0.58 0.00 1.19 0.00 0.00 0.00 179.25 180.79 1lla n PHE 129 N -4.07 0.70 -0.06 0.00 3.72 0.50 -3.74 117.46 114.50 1lla n PHE 129 Ca -0.01 0.23 -0.06 0.00 -0.05 0.00 0.00 57.45 57.56 1lla n PHE 129 Cb 0.45 -0.87 -0.05 0.00 -0.94 0.00 0.00 39.48 38.08 1lla n PHE 129 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1lla h LYS 130 N 0.00 0.00 -6.40 -1.08 3.64 0.16 -3.50 116.57 109.39 1lla h LYS 130 Ca 0.00 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.91 1lla h LYS 130 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1lla h LYS 130 CO 0.00 0.34 -0.28 -1.59 -2.27 0.00 0.00 179.45 175.66 1lla s LYS 131 N -1.89 3.47 0.00 1.90 -2.85 0.08 -5.07 119.74 115.39 1lla s LYS 131 Ca -0.09 -0.48 0.04 0.00 -1.00 0.00 0.00 55.97 54.44 1lla s LYS 131 Cb -0.00 -2.74 0.27 0.00 -2.06 0.00 0.00 37.83 33.29 1lla s LYS 131 CO 0.26 0.25 0.92 -1.91 0.10 0.00 0.00 175.35 174.97 1lla n GLU 140 N -1.65 0.72 -1.59 1.78 0.00 -1.26 -5.00 120.64 113.63 1lla n GLU 140 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.80 1lla n GLU 140 Cb 0.56 -1.10 0.10 0.00 0.00 0.00 0.00 31.44 31.01 1lla n GLU 140 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1lla s SER 141 N -1.42 4.20 0.30 4.31 1.04 -1.26 -3.15 113.70 117.73 1lla s SER 141 Ca 0.07 1.14 -0.29 0.00 0.48 0.00 0.00 55.95 57.34 1lla s SER 141 Cb 0.03 -1.80 -0.10 0.00 0.10 0.00 0.00 66.02 64.25 1lla s SER 141 CO 0.05 -2.13 1.28 0.57 0.98 0.00 0.00 173.24 173.99 1lla s PRO 142 N -5.24 4.40 -0.02 4.02 0.07 -1.26 -4.02 135.00 132.94 1lla s PRO 142 Ca 0.62 2.14 -0.13 0.00 0.07 0.00 0.00 61.00 63.70 1lla s PRO 142 Cb -0.14 -3.11 -0.05 0.00 0.07 0.00 0.00 34.50 31.27 1lla s PRO 142 CO 0.53 -0.15 0.35 0.42 0.07 0.00 0.00 177.00 178.22 1lla s ILE 143 N -0.91 5.14 -0.09 0.57 1.01 -0.28 -5.00 121.20 121.64 1lla s ILE 143 Ca 0.50 0.67 0.02 0.00 0.00 0.00 0.00 60.65 61.85 1lla s ILE 143 Cb -0.38 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.46 1lla s ILE 143 CO 0.49 0.57 -0.16 -0.22 0.00 0.00 0.00 174.94 175.62 1lla s LEU 144 N -1.11 1.77 -0.21 2.97 2.96 -1.26 -1.64 118.68 122.15 1lla s LEU 144 Ca 0.22 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.70 1lla s LEU 144 Cb -0.15 -1.04 -0.00 0.00 0.50 0.00 0.00 46.19 45.49 1lla s LEU 144 CO 0.12 0.05 -0.07 0.68 -1.32 0.00 0.00 176.35 175.81 1lla s VAL 145 N 0.71 3.15 -0.17 1.68 -7.23 0.20 -4.96 120.40 113.79 1lla s VAL 145 Ca -0.13 -0.57 -0.23 0.00 -1.81 0.00 0.00 61.98 59.24 1lla s VAL 145 Cb -0.16 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1lla s VAL 145 CO 0.03 0.45 0.74 1.51 -0.31 0.00 0.00 175.10 177.52 1lla s ASP 146 N 1.39 6.86 -0.18 4.85 1.47 -1.26 -1.00 116.67 128.80 1lla s ASP 146 Ca 0.05 1.05 -0.17 0.00 1.18 0.00 0.00 52.55 54.66 1lla s ASP 146 Cb -0.14 -2.41 -0.04 0.00 -0.34 0.00 0.00 42.92 39.99 1lla s ASP 146 CO -0.04 -0.32 0.44 0.68 0.68 0.00 0.00 175.17 176.61 1lla s VAL 147 N 1.90 5.18 -0.19 2.11 -7.23 -0.40 -4.90 120.40 116.86 1lla s VAL 147 Ca 0.35 0.81 -0.29 0.00 -1.81 0.00 0.00 61.98 61.04 1lla s VAL 147 Cb -0.16 -3.77 0.14 0.00 0.56 0.00 0.00 36.38 33.14 1lla s VAL 147 CO 0.12 0.25 1.05 -0.89 -0.31 0.00 0.00 175.10 175.33 1lla s THR 150 N 1.23 0.00 0.00 5.32 2.01 -1.26 -4.79 115.64 118.14 1lla s THR 150 Ca 0.22 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1lla s THR 150 Cb -0.15 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.36 1lla s THR 150 CO 0.09 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 1lla n GLY 151 N 0.95 4.14 3.64 4.40 0.00 -1.26 -5.07 105.19 112.00 1lla n GLY 151 Ca -0.09 -1.54 -0.47 0.00 0.00 0.00 0.00 46.02 43.91 1lla n GLY 151 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lla n ASN 152 N 0.00 2.43 -4.54 1.61 4.13 -1.26 -4.95 115.26 112.69 1lla n ASN 152 Ca 0.00 1.12 -0.43 0.00 1.68 0.00 0.00 54.58 56.95 1lla n ASN 152 Cb 0.00 -1.35 -0.05 0.00 -1.54 0.00 0.00 39.78 36.84 1lla n ASN 152 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1lla s ILE 153 N 0.34 4.56 -1.53 2.41 1.09 -1.26 -4.85 121.20 121.96 1lla s ILE 153 Ca 0.75 0.41 0.13 0.00 -1.10 0.00 0.00 60.65 60.85 1lla s ILE 153 Cb -0.75 -4.40 0.18 0.00 -1.06 0.00 0.00 42.46 36.43 1lla s ILE 153 CO 0.46 -0.84 1.03 0.18 -0.10 0.00 0.00 174.94 175.66 1lla n LEU 154 N 6.96 2.39 -4.44 2.97 4.77 -1.26 -4.95 117.00 123.44 1lla n LEU 154 Ca 0.03 -1.27 -0.35 0.00 -0.03 0.00 0.00 56.01 54.39 1lla n LEU 154 Cb 0.48 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 1lla n LEU 154 CO 0.61 0.50 -0.33 -0.62 -1.33 0.00 0.00 177.39 176.21 1lla s ASP 155 N -1.09 4.81 0.40 -1.43 -1.08 -1.26 -4.97 116.67 112.04 1lla s ASP 155 Ca 0.19 -0.21 0.10 0.00 -0.52 0.00 0.00 52.55 52.11 1lla s ASP 155 Cb 0.12 -1.82 0.82 0.00 -1.46 0.00 0.00 42.92 40.58 1lla s ASP 155 CO 0.17 0.06 1.94 -0.65 0.52 0.00 0.00 175.17 177.21 1lla h PRO 156 N 7.51 0.23 0.00 4.34 0.11 -2.04 -2.27 132.00 139.88 1lla h PRO 156 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1lla h PRO 156 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1lla h PRO 156 CO 0.61 0.35 0.00 0.93 -0.21 0.00 0.00 178.00 179.68 1lla h GLU 157 N 0.22 0.00 0.00 1.05 4.39 -2.02 -2.66 114.58 115.56 1lla h GLU 157 Ca 0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1lla h GLU 157 Cb 0.34 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1lla h GLU 157 CO 0.02 0.00 -0.07 -0.92 -1.16 0.00 0.00 179.01 176.88 1lla h TYR 158 N 0.00 0.00 -0.44 4.33 5.03 -1.82 -1.46 116.97 122.60 1lla h TYR 158 Ca 0.00 0.00 0.13 0.00 2.58 0.00 0.00 58.73 61.44 1lla h TYR 158 Cb 0.12 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.38 1lla h TYR 158 CO 0.00 0.07 0.56 0.00 -1.32 0.00 0.00 178.16 177.47 1lla h ARG 159 N 0.00 0.00 -0.47 1.82 3.08 -1.66 -1.04 114.38 116.11 1lla h ARG 159 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1lla h ARG 159 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1lla h ARG 159 CO 0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 1lla n LEU 160 N -3.50 3.81 -0.16 3.04 7.99 -0.55 -4.53 117.00 123.09 1lla n LEU 160 Ca 0.08 -2.34 -0.01 0.00 -0.01 0.00 0.00 56.01 53.74 1lla n LEU 160 Cb 0.74 -0.43 0.24 0.00 -0.11 0.00 0.00 43.42 43.85 1lla n LEU 160 CO 0.24 0.77 1.12 0.00 -1.51 0.00 0.00 177.39 178.02 1lla h ALA 161 N 2.87 1.38 -0.62 -1.18 0.00 -1.25 0.34 119.26 120.80 1lla h ALA 161 Ca 0.00 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 54.94 1lla h ALA 161 Cb 1.13 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1lla h ALA 161 CO 0.12 0.50 0.42 0.10 0.00 0.00 0.00 179.25 180.39 1lla h TYR 162 N 0.88 0.24 0.00 0.00 -0.00 -1.80 -0.79 116.97 115.50 1lla h TYR 162 Ca 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.94 1lla h TYR 162 Cb 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 36.73 36.72 1lla h TYR 162 CO 0.01 0.10 -0.38 -0.92 -0.00 0.00 0.00 178.16 176.97 1lla h TYR 163 N 0.21 0.00 -0.36 0.10 3.20 -1.33 -3.25 116.97 115.54 1lla h TYR 163 Ca 0.30 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1lla h TYR 163 Cb 0.88 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 1lla h TYR 163 CO -0.00 0.20 0.24 0.00 -1.64 0.00 0.00 178.16 176.95 1lla h ARG 164 N -1.00 0.48 -0.70 1.82 3.08 -1.10 -2.09 114.38 114.87 1lla h ARG 164 Ca -0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1lla h ARG 164 Cb 0.44 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1lla h ARG 164 CO -0.02 0.32 0.00 0.39 -1.07 0.00 0.00 179.97 179.59 1lla n GLU 165 N -4.48 3.31 -1.90 0.04 1.02 -0.31 -3.32 120.64 115.00 1lla n GLU 165 Ca 0.02 -2.79 -0.41 0.00 -0.02 0.00 0.00 57.16 53.96 1lla n GLU 165 Cb 0.06 -1.76 -0.02 0.00 -0.02 0.00 0.00 31.44 29.70 1lla n GLU 165 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1lla s ASP 166 N -0.94 6.51 0.24 1.62 2.15 -0.79 -4.90 116.67 120.56 1lla s ASP 166 Ca 0.51 2.82 -0.06 0.00 0.43 0.00 0.00 52.55 56.25 1lla s ASP 166 Cb 0.30 -2.63 0.25 0.00 -0.30 0.00 0.00 42.92 40.53 1lla s ASP 166 CO 0.29 -0.80 1.82 0.58 -0.17 0.00 0.00 175.17 176.88 1lla h VAL 167 N 3.42 1.25 0.02 1.11 2.07 -1.91 -3.12 116.25 119.08 1lla h VAL 167 Ca -0.47 -0.75 -0.21 0.00 0.82 0.00 0.00 66.70 66.09 1lla h VAL 167 Cb 1.22 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1lla h VAL 167 CO 0.77 0.31 -0.93 1.23 0.02 0.00 0.00 177.57 178.97 1lla h GLY 168 N 1.14 0.19 1.83 2.17 0.00 -1.97 -2.25 103.07 104.17 1lla h GLY 168 Ca 0.26 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 1lla h GLY 168 CO -0.03 0.32 -0.52 1.19 0.00 0.00 0.00 176.54 177.51 1lla h ILE 169 N 0.08 1.36 -0.07 2.60 2.10 -1.91 -0.32 117.51 121.36 1lla h ILE 169 Ca -0.05 -1.79 -0.19 0.00 1.08 0.00 0.00 64.86 63.91 1lla h ILE 169 Cb 1.59 1.89 0.01 0.00 -1.09 0.00 0.00 36.82 39.22 1lla h ILE 169 CO 0.14 0.53 -0.68 0.78 -1.08 0.00 0.00 178.15 177.83 1lla h ASN 170 N 0.15 0.72 -0.69 2.19 2.35 -1.49 -2.03 115.58 116.78 1lla h ASN 170 Ca 0.00 -0.68 -0.01 0.00 -0.55 0.00 0.00 56.30 55.05 1lla h ASN 170 Cb 0.97 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.09 1lla h ASN 170 CO 0.08 1.30 0.38 0.00 -1.65 0.00 0.00 177.43 177.53 1lla h ALA 171 N 0.44 0.88 -0.81 -0.83 0.00 -1.36 -2.38 119.26 115.21 1lla h ALA 171 Ca -0.07 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1lla h ALA 171 Cb 1.34 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1lla h ALA 171 CO 0.14 0.40 0.46 1.25 0.00 0.00 0.00 179.25 181.50 1lla h HIS 172 N 0.95 0.84 -0.35 0.00 -0.00 -0.91 -2.51 115.15 113.18 1lla h HIS 172 Ca 0.24 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.52 1lla h HIS 172 Cb 0.04 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 1lla h HIS 172 CO -0.00 0.36 -0.28 1.25 -0.00 0.00 0.00 177.93 179.25 1lla h HIS 173 N 0.79 0.83 -0.37 5.26 6.17 -1.07 -0.91 115.15 125.85 1lla h HIS 173 Ca 0.38 -0.21 0.06 0.00 0.71 0.00 0.00 60.37 61.32 1lla h HIS 173 Cb 0.32 -0.19 -0.06 0.00 2.52 0.00 0.00 27.41 30.00 1lla h HIS 173 CO -0.06 0.92 0.03 2.35 0.71 0.00 0.00 177.93 181.88 1lla h TRP 174 N 0.62 0.04 -0.09 5.26 2.91 -1.20 -2.90 115.95 120.58 1lla h TRP 174 Ca 0.08 0.03 -0.21 0.00 1.13 0.00 0.00 58.89 59.91 1lla h TRP 174 Cb 0.79 0.04 0.01 0.00 -0.51 0.00 0.00 29.16 29.49 1lla h TRP 174 CO 0.04 -0.04 -0.81 0.45 -1.03 0.00 0.00 178.44 177.05 1lla h HIS 175 N 0.14 0.83 -0.49 2.65 3.86 -1.03 -3.07 115.15 118.04 1lla h HIS 175 Ca 0.18 -0.39 -0.01 0.00 -1.16 0.00 0.00 60.37 59.00 1lla h HIS 175 Cb 0.24 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1lla h HIS 175 CO -0.23 1.19 0.28 2.35 0.86 0.00 0.00 177.93 182.38 1lla h TRP 176 N 0.40 0.67 0.00 2.45 7.01 -1.16 -0.75 115.95 124.57 1lla h TRP 176 Ca -0.06 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.93 1lla h TRP 176 Cb 1.42 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 1lla h TRP 176 CO 0.07 0.49 0.00 0.72 -2.79 0.00 0.00 178.44 176.93 1lla n HIS 177 N -4.67 0.24 -0.01 2.65 8.25 -1.10 -1.05 115.22 119.53 1lla n HIS 177 Ca 0.02 0.09 0.02 0.00 -0.26 0.00 0.00 57.72 57.59 1lla n HIS 177 Cb 0.08 -0.65 -0.12 0.00 1.12 0.00 0.00 29.99 30.41 1lla n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1lla n LEU 178 N -1.72 0.34 0.04 2.41 4.77 -0.65 -2.61 117.00 119.58 1lla n LEU 178 Ca 0.03 0.15 -0.05 0.00 -0.03 0.00 0.00 56.01 56.11 1lla n LEU 178 Cb 0.20 0.15 0.15 0.00 -2.33 0.00 0.00 43.42 41.59 1lla n LEU 178 CO 0.17 0.16 0.59 0.58 -1.33 0.00 0.00 177.39 177.55 1lla h VAL 179 N 0.00 1.32 -2.23 4.08 2.07 -0.96 -3.38 116.25 117.15 1lla h VAL 179 Ca -0.20 -1.63 -0.59 0.00 0.82 0.00 0.00 66.70 65.11 1lla h VAL 179 Cb 1.51 1.68 -0.42 0.00 -1.52 0.00 0.00 31.29 32.55 1lla h VAL 179 CO 0.02 0.50 -0.67 -1.22 0.02 0.00 0.00 177.57 176.22 1lla n TYR 180 N -4.00 3.57 -1.87 1.57 4.01 -0.21 -5.08 117.16 115.15 1lla n TYR 180 Ca -0.02 -4.02 -0.41 0.00 -0.16 0.00 0.00 57.90 53.29 1lla n TYR 180 Cb 0.52 -0.50 -0.01 0.00 -0.31 0.00 0.00 39.34 39.05 1lla n TYR 180 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1lla s PRO 181 N -3.04 4.16 0.46 -0.72 0.02 -1.07 -4.74 135.00 130.07 1lla s PRO 181 Ca 0.45 2.49 0.26 0.00 0.02 0.00 0.00 61.00 64.23 1lla s PRO 181 Cb 0.24 -2.99 0.76 0.00 0.02 0.00 0.00 34.50 32.54 1lla s PRO 181 CO -0.10 -0.46 1.76 0.66 -0.33 0.00 0.00 177.00 178.54 1lla h SER 182 N 3.08 0.00 -0.08 2.53 4.64 -1.91 -2.39 113.55 119.42 1lla h SER 182 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1lla h SER 182 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1lla h SER 182 CO 0.64 0.10 0.00 0.35 -0.87 0.00 0.00 176.83 177.05 1lla n THR 183 N -3.16 0.09 -1.67 2.95 -2.24 -1.26 -0.80 114.28 108.19 1lla n THR 183 Ca 0.02 -0.23 -0.49 0.00 -2.27 0.00 0.00 64.05 61.08 1lla n THR 183 Cb 0.46 0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 1lla n THR 183 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1lla n TRP 184 N -0.02 2.17 -3.87 4.78 -0.00 -0.90 -4.81 117.44 114.79 1lla n TRP 184 Ca 0.17 0.25 -0.35 0.00 -0.00 0.00 0.00 57.50 57.57 1lla n TRP 184 Cb 0.28 -2.55 -0.13 0.00 -0.00 0.00 0.00 31.31 28.90 1lla n TRP 184 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1lla s ASN 185 N 2.38 5.01 0.48 5.87 3.84 -1.26 -4.52 114.94 126.74 1lla s ASN 185 Ca 0.87 -1.46 0.27 0.00 0.21 0.00 0.00 52.86 52.75 1lla s ASN 185 Cb -0.77 -1.75 1.17 0.00 -0.55 0.00 0.00 41.25 39.35 1lla s ASN 185 CO 0.48 -0.33 1.93 1.55 -2.79 0.00 0.00 177.10 177.93 1lla h PRO 186 N 8.02 0.00 -0.12 0.43 0.14 -1.93 -2.31 132.00 136.22 1lla h PRO 186 Ca -0.19 0.00 -0.16 0.00 0.14 0.00 0.00 66.00 65.79 1lla h PRO 186 Cb 1.06 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.19 1lla h PRO 186 CO 0.58 0.16 -0.62 0.87 0.14 0.00 0.00 178.00 179.12 1lla h LYS 187 N 0.00 0.42 0.04 0.86 6.56 -1.93 0.02 116.57 122.54 1lla h LYS 187 Ca -0.00 -0.30 -0.00 0.00 -1.06 0.00 0.00 60.65 59.29 1lla h LYS 187 Cb 0.58 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 1lla h LYS 187 CO 0.02 0.91 -0.02 -0.92 -2.06 0.00 0.00 179.45 177.39 1lla h TYR 188 N 0.31 -0.05 0.00 -1.35 3.20 -1.85 -3.25 116.97 113.98 1lla h TYR 188 Ca -0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1lla h TYR 188 Cb 1.17 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1lla h TYR 188 CO 0.04 0.59 0.00 1.19 -1.64 0.00 0.00 178.16 178.34 1lla n PHE 189 N -4.79 0.19 -0.76 -3.82 3.72 -0.91 -4.90 117.46 106.20 1lla n PHE 189 Ca -0.09 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1lla n PHE 189 Cb 0.32 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 1lla n PHE 189 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1lla n GLY 190 N 1.08 0.40 3.12 1.37 0.00 -0.05 -4.98 105.19 106.13 1lla n GLY 190 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1lla n GLY 190 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lla s LYS 191 N -0.66 1.05 0.02 1.61 1.02 -0.96 -4.96 119.74 116.86 1lla s LYS 191 Ca 0.00 -0.59 -0.01 0.00 0.02 0.00 0.00 55.97 55.39 1lla s LYS 191 Cb 0.00 -1.03 -0.04 0.00 -0.52 0.00 0.00 37.83 36.24 1lla s LYS 191 CO 0.00 0.27 0.16 0.15 -0.92 0.00 0.00 175.35 175.02 1lla s LYS 192 N -0.63 3.32 -0.52 1.68 1.02 -1.26 -4.27 119.74 119.07 1lla s LYS 192 Ca 0.04 -0.42 -0.18 0.00 0.02 0.00 0.00 55.97 55.43 1lla s LYS 192 Cb -0.06 -3.00 0.07 0.00 -0.52 0.00 0.00 37.83 34.32 1lla s LYS 192 CO 0.00 0.64 0.61 0.15 -0.92 0.00 0.00 175.35 175.83 1lla s LYS 193 N -2.10 3.08 0.13 1.68 -0.14 -1.26 -4.89 119.74 116.24 1lla s LYS 193 Ca 0.29 -1.08 -0.32 0.00 -1.36 0.00 0.00 55.97 53.50 1lla s LYS 193 Cb -0.13 -4.15 -0.11 0.00 -1.68 0.00 0.00 37.83 31.76 1lla s LYS 193 CO 0.21 -1.28 1.80 -3.47 -0.76 0.00 0.00 175.35 171.85 1lla n ASP 194 N 6.05 3.91 -3.93 2.83 2.03 -1.26 -3.06 116.55 123.12 1lla n ASP 194 Ca -0.08 1.01 -0.30 0.00 0.52 0.00 0.00 54.79 55.93 1lla n ASP 194 Cb 0.44 -1.53 0.02 0.00 -0.72 0.00 0.00 41.12 39.33 1lla n ASP 194 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1lla n ARG 195 N 5.23 -5.10 -0.21 -0.67 1.74 -1.26 -4.64 116.66 111.75 1lla n ARG 195 Ca 0.18 0.56 -0.09 0.00 -0.77 0.00 0.00 57.85 57.73 1lla n ARG 195 Cb 0.36 -5.37 0.02 0.00 -1.02 0.00 0.00 32.46 26.45 1lla n ARG 195 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1lla h LYS 196 N -1.99 1.05 -0.54 5.56 3.64 -1.92 0.12 116.57 122.49 1lla h LYS 196 Ca -0.59 -0.33 -0.09 0.00 -1.27 0.00 0.00 60.65 58.37 1lla h LYS 196 Cb 1.38 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 1lla h LYS 196 CO 0.67 1.03 -0.02 0.78 -2.27 0.00 0.00 179.45 179.65 1lla h GLY 197 N 0.95 1.04 1.43 5.01 0.00 -1.89 0.71 103.07 110.32 1lla h GLY 197 Ca 0.17 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 1lla h GLY 197 CO 0.03 0.72 0.00 -2.09 0.00 0.00 0.00 176.54 175.20 1lla h GLU 198 N 0.84 0.70 0.00 4.80 4.81 -1.62 -1.72 114.58 122.40 1lla h GLU 198 Ca 0.15 -0.18 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 1lla h GLU 198 Cb 0.56 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1lla h GLU 198 CO 0.03 0.72 -0.81 1.25 -0.73 0.00 0.00 179.01 179.47 1lla h LEU 199 N 0.66 0.00 -0.09 1.64 5.85 -0.53 -1.53 115.31 121.32 1lla h LEU 199 Ca 0.13 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1lla h LEU 199 Cb 0.41 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1lla h LEU 199 CO 0.02 0.81 -0.21 0.15 -0.34 0.00 0.00 178.44 178.86 1lla h PHE 200 N 0.00 -0.56 0.03 1.25 3.57 -0.66 0.35 116.94 120.91 1lla h PHE 200 Ca -0.01 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1lla h PHE 200 Cb 1.49 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 40.43 1lla h PHE 200 CO 0.00 -0.29 -0.47 -0.92 -2.23 0.00 0.00 178.31 174.40 1lla h TYR 201 N -0.29 -1.34 -0.20 0.41 3.20 -1.14 -2.59 116.97 115.02 1lla h TYR 201 Ca 0.09 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 1lla h TYR 201 Cb 0.42 0.58 -0.00 0.00 1.54 0.00 0.00 36.73 39.26 1lla h TYR 201 CO -0.30 -0.54 -0.17 -0.92 -1.64 0.00 0.00 178.16 174.59 1lla h TYR 202 N -0.64 0.57 -0.74 -3.82 3.20 -0.98 0.13 116.97 114.69 1lla h TYR 202 Ca 0.03 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.71 1lla h TYR 202 Cb 0.69 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 1lla h TYR 202 CO -0.45 0.82 0.37 1.98 -1.64 0.00 0.00 178.16 179.24 1lla h MET 203 N 0.16 1.05 0.00 1.82 4.05 -1.00 0.11 114.93 121.11 1lla h MET 203 Ca 0.04 -0.15 -0.15 0.00 -0.28 0.00 0.00 59.70 59.16 1lla h MET 203 Cb 0.71 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 1lla h MET 203 CO 0.04 0.81 -0.70 0.45 0.23 0.00 0.00 176.91 177.75 1lla h HIS 204 N 1.03 0.00 -0.55 1.39 3.86 -1.08 -1.72 115.15 118.08 1lla h HIS 204 Ca 0.25 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 1lla h HIS 204 Cb 0.10 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 1lla h HIS 204 CO 0.01 0.70 0.29 0.37 0.86 0.00 0.00 177.93 180.16 1lla h GLN 205 N 0.00 0.78 -0.28 2.45 -0.00 -0.47 -1.78 115.11 115.81 1lla h GLN 205 Ca -0.01 -0.10 -0.09 0.00 -0.00 0.00 0.00 58.65 58.45 1lla h GLN 205 Cb 1.29 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 28.60 1lla h GLN 205 CO 0.09 0.61 -0.21 1.96 0.00 0.00 0.00 178.83 181.28 1lla h GLN 206 N 0.74 0.51 -0.78 1.69 1.08 -0.42 -0.11 115.11 117.83 1lla h GLN 206 Ca 0.19 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1lla h GLN 206 Cb 0.07 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 1lla h GLN 206 CO -0.03 0.70 0.29 0.52 -0.95 0.00 0.00 178.83 179.36 1lla h MET 207 N 0.46 1.19 -0.36 1.46 2.86 -1.12 -0.77 114.93 118.64 1lla h MET 207 Ca 0.07 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1lla h MET 207 Cb 0.63 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1lla h MET 207 CO 0.04 0.98 0.09 0.00 1.06 0.00 0.00 176.91 179.09 1lla h ALA 209 N 0.94 1.02 -0.24 0.00 0.00 -0.86 -0.93 119.26 119.18 1lla h ALA 209 Ca 0.12 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1lla h ALA 209 Cb 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1lla h ALA 209 CO 0.00 0.67 -0.10 0.00 0.00 0.00 0.00 179.25 179.82 1lla h ARG 210 N 1.13 0.50 -0.26 0.00 3.08 -1.09 -2.13 114.38 115.62 1lla h ARG 210 Ca 0.25 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1lla h ARG 210 Cb 0.27 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1lla h ARG 210 CO -0.01 0.75 0.05 -0.92 -1.07 0.00 0.00 179.97 178.77 1lla h TYR 211 N 0.22 0.08 -0.62 3.04 3.20 -1.08 -1.87 116.97 119.94 1lla h TYR 211 Ca 0.06 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1lla h TYR 211 Cb 0.60 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1lla h TYR 211 CO 0.06 0.02 0.41 -0.44 -1.64 0.00 0.00 178.16 176.57 1lla h ASP 212 N 0.15 0.71 -0.33 -2.11 3.32 -1.10 -0.62 116.42 116.44 1lla h ASP 212 Ca 0.12 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1lla h ASP 212 Cb 0.12 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1lla h ASP 212 CO -0.16 0.52 0.15 0.00 -1.72 0.00 0.00 179.24 178.03 1lla h GLU 214 N 0.53 0.63 0.05 0.00 4.39 -0.52 -0.76 114.58 118.90 1lla h GLU 214 Ca 0.13 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1lla h GLU 214 Cb 0.10 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1lla h GLU 214 CO -0.01 0.79 -0.21 0.00 -1.16 0.00 0.00 179.01 178.41 1lla h ARG 215 N 0.42 -0.35 -0.07 2.33 3.08 -0.89 -1.74 114.38 117.17 1lla h ARG 215 Ca 0.09 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1lla h ARG 215 Cb 0.53 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1lla h ARG 215 CO 0.03 -0.23 -0.08 -0.07 -1.07 0.00 0.00 179.97 178.54 1lla h LEU 216 N -0.37 0.09 -1.32 3.04 3.38 -1.27 -0.29 115.31 118.58 1lla h LEU 216 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1lla h LEU 216 Cb 0.42 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1lla h LEU 216 CO -0.16 0.19 0.41 0.28 0.09 0.00 0.00 178.44 179.26 1lla h SER 217 N 0.10 0.77 -0.50 -0.43 0.02 -0.51 -2.55 113.55 110.44 1lla h SER 217 Ca 0.02 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1lla h SER 217 Cb 0.22 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1lla h SER 217 CO 0.01 0.57 0.00 0.59 -1.14 0.00 0.00 176.83 176.87 1lla n ASN 218 N -4.42 4.03 0.00 3.07 3.02 -0.71 -4.44 115.26 115.81 1lla n ASN 218 Ca 0.07 -2.42 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 1lla n ASN 218 Cb 0.05 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 1lla n ASN 218 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lla n GLY 219 N 0.88 0.56 3.73 7.41 0.00 -0.96 -5.04 105.19 111.77 1lla n GLY 219 Ca 0.21 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1lla n GLY 219 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1lla s MET 220 N -1.00 2.65 0.56 1.61 -1.94 -0.17 -4.94 119.30 116.09 1lla s MET 220 Ca 0.00 -0.91 -0.20 0.00 -1.71 0.00 0.00 55.69 52.87 1lla s MET 220 Cb 0.00 -2.54 -0.04 0.00 2.01 0.00 0.00 34.83 34.25 1lla s MET 220 CO 0.00 0.50 1.24 -1.58 -0.01 0.00 0.00 175.02 175.17 1lla s HIS 221 N -1.57 2.43 0.51 -0.03 2.46 -1.26 -3.32 115.29 114.51 1lla s HIS 221 Ca 0.28 1.48 -0.21 0.00 0.47 0.00 0.00 55.06 57.09 1lla s HIS 221 Cb -0.11 -3.55 -0.08 0.00 -0.13 0.00 0.00 32.58 28.71 1lla s HIS 221 CO 0.20 -2.29 0.91 0.54 -2.47 0.00 0.00 174.74 171.64 1lla n ARG 222 N -1.28 1.04 -2.46 2.88 1.74 -1.26 -4.76 116.66 112.56 1lla n ARG 222 Ca 0.12 0.39 -0.37 0.00 -0.77 0.00 0.00 57.85 57.22 1lla n ARG 222 Cb 0.48 -2.04 -0.03 0.00 -1.02 0.00 0.00 32.46 29.85 1lla n ARG 222 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lla s MET 223 N -2.31 4.12 0.22 5.56 0.23 -1.26 -5.03 119.30 120.83 1lla s MET 223 Ca 0.69 1.61 -0.14 0.00 -1.03 0.00 0.00 55.69 56.82 1lla s MET 223 Cb -0.48 -2.58 -0.08 0.00 -1.53 0.00 0.00 34.83 30.16 1lla s MET 223 CO 0.53 -0.20 0.63 -0.51 -2.03 0.00 0.00 175.02 173.43 1lla s LEU 224 N -2.60 4.23 0.38 0.18 1.43 -1.26 -5.05 118.68 116.00 1lla s LEU 224 Ca 0.58 1.16 -0.27 0.00 -1.03 0.00 0.00 54.13 54.57 1lla s LEU 224 Cb -0.25 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.25 1lla s LEU 224 CO 0.31 -0.03 1.33 -2.16 0.23 0.00 0.00 176.35 176.03 1lla s PRO 225 N -2.41 4.09 -1.29 1.29 0.04 -1.26 -4.48 135.00 130.97 1lla s PRO 225 Ca 0.45 2.22 -0.16 0.00 0.04 0.00 0.00 61.00 63.56 1lla s PRO 225 Cb -0.13 -2.87 0.10 0.00 0.04 0.00 0.00 34.50 31.64 1lla s PRO 225 CO 0.20 -0.42 1.72 0.34 0.04 0.00 0.00 177.00 178.88 1lla n PHE 226 N 0.35 4.50 0.75 0.56 7.35 -0.07 -4.69 117.46 126.22 1lla n PHE 226 Ca 0.02 -3.00 0.08 0.00 -0.76 0.00 0.00 57.45 53.80 1lla n PHE 226 Cb 0.43 -2.46 -0.01 0.00 0.35 0.00 0.00 39.48 37.79 1lla n PHE 226 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1lla n ASN 227 N 7.04 1.64 -4.33 -2.13 6.94 -1.26 -4.75 115.26 118.41 1lla n ASN 227 Ca 0.45 -1.32 -0.37 0.00 -0.02 0.00 0.00 54.58 53.33 1lla n ASN 227 Cb 0.44 0.49 -0.13 0.00 -2.36 0.00 0.00 39.78 38.22 1lla n ASN 227 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1lla s ASN 228 N -2.00 4.96 0.00 0.53 2.47 -1.26 -4.98 114.94 114.65 1lla s ASN 228 Ca 0.14 -0.65 0.31 0.00 0.42 0.00 0.00 52.86 53.08 1lla s ASN 228 Cb 0.14 -1.85 1.73 0.00 -1.45 0.00 0.00 41.25 39.82 1lla s ASN 228 CO 0.44 -0.15 2.14 0.49 -3.72 0.00 0.00 177.10 176.30 1lla n PHE 229 N 4.84 0.00 1.33 0.43 3.01 -1.26 -1.96 117.46 123.85 1lla n PHE 229 Ca -0.15 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.44 1lla n PHE 229 Cb 0.48 -0.08 0.40 0.00 -0.01 0.00 0.00 39.48 40.27 1lla n PHE 229 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1lla n ASP 230 N -1.01 1.46 -4.77 4.37 8.00 -1.26 -4.44 116.55 118.90 1lla n ASP 230 Ca 0.21 -1.30 -0.39 0.00 0.71 0.00 0.00 54.79 54.02 1lla n ASP 230 Cb 0.16 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 1lla n ASP 230 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1lla s GLU 231 N -2.23 4.47 0.38 -1.24 2.56 -0.83 -4.92 118.70 116.89 1lla s GLU 231 Ca 0.31 1.71 -0.28 0.00 0.00 0.00 0.00 54.97 56.71 1lla s GLU 231 Cb 0.20 -2.96 -0.11 0.00 2.00 0.00 0.00 34.13 33.26 1lla s GLU 231 CO 0.42 0.08 1.46 -2.14 -0.56 0.00 0.00 175.26 174.52 1lla s PRO 232 N -1.81 4.09 0.22 4.30 0.02 -1.26 -4.64 135.00 135.93 1lla s PRO 232 Ca 0.49 2.52 -0.21 0.00 0.02 0.00 0.00 61.00 63.82 1lla s PRO 232 Cb -0.29 -2.95 -0.08 0.00 0.02 0.00 0.00 34.50 31.20 1lla s PRO 232 CO 0.37 -0.52 0.75 -0.51 -0.33 0.00 0.00 177.00 176.75 1lla s LEU 233 N -2.13 4.37 0.70 -5.54 1.02 -0.36 -4.89 118.68 111.86 1lla s LEU 233 Ca 0.53 1.48 -0.12 0.00 0.02 0.00 0.00 54.13 56.04 1lla s LEU 233 Cb -0.46 -3.58 0.02 0.00 0.02 0.00 0.00 46.19 42.19 1lla s LEU 233 CO 0.61 0.05 1.07 0.00 0.02 0.00 0.00 176.35 178.11 1lla s ALA 234 N -1.48 2.53 0.60 4.21 0.00 -1.26 -1.43 121.76 124.92 1lla s ALA 234 Ca 0.43 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.63 1lla s ALA 234 Cb -0.18 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.77 1lla s ALA 234 CO 0.22 -1.33 0.84 0.20 0.00 0.00 0.00 175.76 175.68 1lla s GLY 235 N -3.37 1.80 -0.29 0.00 0.00 -1.26 -4.82 107.32 99.38 1lla s GLY 235 Ca 0.61 -1.34 -0.16 0.00 0.00 0.00 0.00 44.72 43.83 1lla s GLY 235 CO 0.51 -1.00 0.88 -0.47 0.00 0.00 0.00 173.10 173.03 1lla s TYR 236 N -2.89 -0.75 -0.26 1.90 5.04 -0.27 -4.90 117.35 115.24 1lla s TYR 236 Ca 0.59 1.47 -0.05 0.00 -2.44 0.00 0.00 57.07 56.64 1lla s TYR 236 Cb -0.10 0.45 0.00 0.00 0.35 0.00 0.00 41.96 42.66 1lla s TYR 236 CO 0.40 -0.37 0.02 0.00 -1.34 0.00 0.00 175.55 174.26 1lla s ALA 237 N 1.54 2.95 0.09 3.97 0.00 -1.26 -1.45 121.76 127.60 1lla s ALA 237 Ca -0.09 -1.35 0.14 0.00 0.00 0.00 0.00 51.96 50.66 1lla s ALA 237 Cb -0.04 -1.95 0.27 0.00 0.00 0.00 0.00 23.12 21.40 1lla s ALA 237 CO -0.17 -0.73 1.54 -1.00 0.00 0.00 0.00 175.76 175.40 1lla h PRO 238 N 8.16 0.00 -6.17 0.00 0.13 -1.86 -3.48 132.00 128.78 1lla h PRO 238 Ca -0.35 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.34 1lla h PRO 238 Cb 1.14 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.29 1lla h PRO 238 CO 0.59 0.59 -0.82 0.72 -0.23 0.00 0.00 178.00 178.85 1lla n HIS 239 N -3.46 -1.98 -5.15 1.56 8.25 -1.26 -4.92 115.22 108.26 1lla n HIS 239 Ca 0.00 0.85 -0.31 0.00 -0.26 0.00 0.00 57.72 58.00 1lla n HIS 239 Cb 0.68 -4.25 -0.17 0.00 1.12 0.00 0.00 29.99 27.37 1lla n HIS 239 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1lla s LEU 240 N -6.83 2.03 0.30 2.41 1.43 -1.26 -1.24 118.68 115.51 1lla s LEU 240 Ca 0.15 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1lla s LEU 240 Cb -0.07 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 1lla s LEU 240 CO 0.82 0.17 0.36 -0.89 0.23 0.00 0.00 176.35 177.04 1lla s THR 241 N 0.21 4.33 -0.48 5.49 2.01 -1.26 -2.07 115.64 123.88 1lla s THR 241 Ca -0.13 -1.14 0.04 0.00 0.31 0.00 0.00 61.69 60.76 1lla s THR 241 Cb -0.16 -3.48 0.13 0.00 0.01 0.00 0.00 72.50 68.99 1lla s THR 241 CO 0.07 -0.24 0.22 -2.28 -0.69 0.00 0.00 174.62 171.70 1lla s HIS 242 N -2.14 3.08 0.51 4.92 2.46 0.27 -4.66 115.29 119.73 1lla s HIS 242 Ca 0.39 -3.03 0.26 0.00 0.47 0.00 0.00 55.06 53.16 1lla s HIS 242 Cb -0.08 -2.69 1.36 0.00 -0.13 0.00 0.00 32.58 31.03 1lla s HIS 242 CO 0.29 -0.78 1.92 -0.39 -2.47 0.00 0.00 174.74 173.30 1lla h VAL 243 N 5.64 0.64 0.00 0.89 -1.51 -1.93 -1.91 116.25 118.07 1lla h VAL 243 Ca -0.07 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1lla h VAL 243 Cb 0.92 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1lla h VAL 243 CO 0.63 0.02 0.29 0.00 -1.23 0.00 0.00 177.57 177.28 1lla n ALA 244 N -2.64 0.63 -0.39 5.19 0.00 -1.26 -3.13 120.51 118.90 1lla n ALA 244 Ca 0.16 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1lla n ALA 244 Cb 0.78 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1lla n ALA 244 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1lla n SER 245 N -1.98 0.00 -1.23 0.00 3.41 -0.85 -4.46 113.62 108.50 1lla n SER 245 Ca -0.01 -0.08 -0.16 0.00 -0.26 0.00 0.00 58.87 58.36 1lla n SER 245 Cb 0.30 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.19 1lla n SER 245 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lla n GLY 246 N 0.00 1.48 3.96 5.00 0.00 -0.78 -5.04 105.19 109.81 1lla n GLY 246 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1lla n GLY 246 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lla s LYS 247 N -3.29 1.75 0.10 1.61 1.02 -1.12 -4.80 119.74 115.00 1lla s LYS 247 Ca 0.00 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.31 1lla s LYS 247 Cb 0.00 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1lla s LYS 247 CO 0.00 -1.47 -0.02 1.52 -0.92 0.00 0.00 175.35 174.46 1lla s TYR 248 N -3.27 0.83 0.13 3.18 -0.85 -1.26 0.97 117.35 117.09 1lla s TYR 248 Ca 0.65 -1.05 -0.31 0.00 -0.52 0.00 0.00 57.07 55.84 1lla s TYR 248 Cb -0.07 -0.50 -0.08 0.00 0.38 0.00 0.00 41.96 41.69 1lla s TYR 248 CO 0.45 -0.31 1.32 0.71 -1.52 0.00 0.00 175.55 176.21 1lla s TYR 249 N -3.81 3.29 0.17 -3.49 1.51 -0.88 -4.63 117.35 109.52 1lla s TYR 249 Ca 0.15 1.12 -0.30 0.00 -1.01 0.00 0.00 57.07 57.02 1lla s TYR 249 Cb 0.07 -3.60 -0.08 0.00 -0.11 0.00 0.00 41.96 38.23 1lla s TYR 249 CO -0.03 -1.98 1.30 -1.12 -1.11 0.00 0.00 175.55 172.60 1lla s SER 250 N 0.82 6.92 0.85 2.29 0.01 -1.17 -4.74 113.70 118.68 1lla s SER 250 Ca 0.61 2.34 -0.11 0.00 1.31 0.00 0.00 55.95 60.10 1lla s SER 250 Cb -0.35 -2.60 0.10 0.00 0.21 0.00 0.00 66.02 63.38 1lla s SER 250 CO 0.33 -0.53 1.10 -2.16 0.41 0.00 0.00 173.24 172.39 1lla s PRO 251 N 0.15 1.62 -0.22 12.44 0.04 -1.26 -4.33 135.00 143.44 1lla s PRO 251 Ca 0.58 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.69 1lla s PRO 251 Cb -0.36 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.40 1lla s PRO 251 CO 0.36 -2.06 -0.08 0.50 0.04 0.00 0.00 177.00 175.76 1lla s ARG 252 N -4.87 1.83 0.89 4.56 3.52 -0.53 -4.89 118.95 119.46 1lla s ARG 252 Ca 0.63 -0.94 -0.12 0.00 -0.13 0.00 0.00 55.73 55.17 1lla s ARG 252 Cb -0.18 -2.52 0.12 0.00 -1.56 0.00 0.00 34.95 30.81 1lla s ARG 252 CO 0.57 -0.52 1.09 -1.25 -0.81 0.00 0.00 175.30 174.38 1lla s PRO 253 N 1.38 1.32 0.32 5.12 0.04 -1.26 -1.11 135.00 140.82 1lla s PRO 253 Ca -0.04 0.81 -0.29 0.00 0.04 0.00 0.00 61.00 61.52 1lla s PRO 253 Cb -0.18 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 1lla s PRO 253 CO -0.07 -2.19 1.33 -0.51 0.04 0.00 0.00 177.00 175.60 1lla s ASP 254 N -3.46 6.74 0.00 6.66 1.01 -1.26 -4.07 116.67 122.29 1lla s ASP 254 Ca 0.63 2.70 0.00 0.00 0.71 0.00 0.00 52.55 56.59 1lla s ASP 254 Cb -0.18 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.11 1lla s ASP 254 CO 0.57 -0.57 0.00 0.61 0.21 0.00 0.00 175.17 175.99 1lla n GLY 255 N 0.93 1.05 3.90 0.21 0.00 -0.52 -4.90 105.19 105.86 1lla n GLY 255 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1lla n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lla s LEU 256 N 0.00 3.94 0.25 0.99 1.43 -1.26 -4.80 118.68 119.24 1lla s LEU 256 Ca 0.00 0.84 0.10 0.00 -1.03 0.00 0.00 54.13 54.04 1lla s LEU 256 Cb 0.00 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1lla s LEU 256 CO 0.00 -0.31 -0.07 -0.54 0.23 0.00 0.00 176.35 175.66 1lla s LYS 257 N -3.82 2.08 0.34 1.70 1.02 -1.26 -1.22 119.74 118.58 1lla s LYS 257 Ca 0.46 -1.47 -0.29 0.00 0.02 0.00 0.00 55.97 54.69 1lla s LYS 257 Cb -0.10 -2.06 -0.11 0.00 -0.52 0.00 0.00 37.83 35.04 1lla s LYS 257 CO 0.32 0.37 1.48 -0.51 -0.92 0.00 0.00 175.35 176.10 1lla s LEU 258 N -3.43 4.35 0.15 3.17 1.43 -1.26 -5.00 118.68 118.07 1lla s LEU 258 Ca 0.29 2.95 0.07 0.00 -1.03 0.00 0.00 54.13 56.41 1lla s LEU 258 Cb -0.07 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 1lla s LEU 258 CO 0.17 -0.82 -0.15 -0.13 0.23 0.00 0.00 176.35 175.66 1lla s ARG 259 N -1.57 1.14 0.39 1.70 0.52 -1.26 -5.02 118.95 114.84 1lla s ARG 259 Ca 0.55 -1.36 -0.28 0.00 -0.52 0.00 0.00 55.73 54.13 1lla s ARG 259 Cb -0.45 -1.02 -0.11 0.00 0.52 0.00 0.00 34.95 33.89 1lla s ARG 259 CO 0.57 0.19 1.48 -0.51 0.02 0.00 0.00 175.30 177.05 1lla s ASP 260 N -2.70 6.29 0.40 0.23 1.01 -1.26 -4.78 116.67 115.86 1lla s ASP 260 Ca 0.13 3.04 0.08 0.00 0.71 0.00 0.00 52.55 56.51 1lla s ASP 260 Cb -0.04 -2.67 0.00 0.00 1.01 0.00 0.00 42.92 41.23 1lla s ASP 260 CO 0.04 -0.91 0.52 -0.76 0.21 0.00 0.00 175.17 174.28 1lla s LEU 261 N -2.17 3.67 0.43 1.23 1.43 0.52 -4.62 118.68 119.18 1lla s LEU 261 Ca 0.54 -0.43 0.13 0.00 -1.03 0.00 0.00 54.13 53.34 1lla s LEU 261 Cb -0.46 -2.58 1.01 0.00 0.03 0.00 0.00 46.19 44.18 1lla s LEU 261 CO 0.63 -0.69 1.99 1.23 0.23 0.00 0.00 176.35 179.74 1lla h GLY 262 N 0.74 0.57 0.90 -3.19 0.00 -1.94 -2.97 103.07 97.19 1lla h GLY 262 Ca -0.41 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1lla h GLY 262 CO 0.48 0.11 -0.94 1.22 0.00 0.00 0.00 176.54 177.41 1lla n ASP 263 N -4.47 0.71 -3.67 0.19 9.92 -1.26 -4.95 116.55 113.02 1lla n ASP 263 Ca 0.09 0.13 -0.11 0.00 -0.53 0.00 0.00 54.79 54.37 1lla n ASP 263 Cb 0.32 0.51 -0.08 0.00 -0.64 0.00 0.00 41.12 41.24 1lla n ASP 263 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1lla s ILE 264 N -3.27 -0.01 -0.03 0.53 1.10 -1.12 -5.15 121.20 113.24 1lla s ILE 264 Ca 0.02 0.02 -0.06 0.00 -0.51 0.00 0.00 60.65 60.12 1lla s ILE 264 Cb 0.12 -0.83 -0.04 0.00 0.15 0.00 0.00 42.46 41.85 1lla s ILE 264 CO 0.78 0.01 0.22 -1.61 -2.11 0.00 0.00 174.94 172.22 1lla s GLU 265 N 0.99 3.52 0.35 3.50 2.02 -1.26 -0.35 118.70 127.47 1lla s GLU 265 Ca -0.05 -0.13 0.05 0.00 0.02 0.00 0.00 54.97 54.85 1lla s GLU 265 Cb -0.05 -3.12 0.69 0.00 0.10 0.00 0.00 34.13 31.75 1lla s GLU 265 CO -0.09 0.69 1.96 0.82 0.02 0.00 0.00 175.26 178.66 1lla h ILE 266 N 3.28 1.04 0.00 -1.63 1.08 -1.95 -0.26 117.51 119.08 1lla h ILE 266 Ca -0.51 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.68 1lla h ILE 266 Cb 1.20 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1lla h ILE 266 CO 0.64 0.15 0.00 0.77 -0.69 0.00 0.00 178.15 179.02 1lla h SER 267 N 0.81 0.00 0.08 1.72 4.64 -1.99 -1.16 113.55 117.66 1lla h SER 267 Ca 0.32 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.51 1lla h SER 267 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1lla h SER 267 CO -0.10 0.00 -0.42 -0.33 -0.87 0.00 0.00 176.83 175.10 1lla h GLU 268 N 0.00 0.43 -0.49 4.77 5.08 -1.45 -2.06 114.58 120.86 1lla h GLU 268 Ca 0.00 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1lla h GLU 268 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1lla h GLU 268 CO 0.00 0.78 -0.09 0.52 -1.00 0.00 0.00 179.01 179.22 1lla h MET 269 N 0.35 0.89 -0.54 2.33 2.86 -1.11 -2.05 114.93 117.66 1lla h MET 269 Ca 0.03 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 1lla h MET 269 Cb 0.89 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1lla h MET 269 CO 0.08 0.94 0.27 0.28 1.06 0.00 0.00 176.91 179.54 1lla h VAL 270 N 0.80 1.20 -0.67 -2.22 2.07 -1.34 -1.95 116.25 114.14 1lla h VAL 270 Ca 0.14 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 67.19 1lla h VAL 270 Cb 0.60 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 1lla h VAL 270 CO 0.04 0.22 0.34 0.03 0.02 0.00 0.00 177.57 178.22 1lla h ARG 271 N 0.73 0.59 -0.15 1.57 3.08 -1.04 -2.08 114.38 117.07 1lla h ARG 271 Ca 0.19 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.22 1lla h ARG 271 Cb 0.10 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1lla h ARG 271 CO -0.03 0.39 0.05 0.52 -1.07 0.00 0.00 179.97 179.83 1lla h MET 272 N 0.60 0.12 -0.43 0.04 2.86 -1.00 -1.25 114.93 115.89 1lla h MET 272 Ca 0.32 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.98 1lla h MET 272 Cb 0.29 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1lla h MET 272 CO -0.24 0.08 0.23 -0.09 1.06 0.00 0.00 176.91 177.95 1lla h ARG 273 N 0.13 0.45 -0.59 1.72 2.43 -1.00 -0.67 114.38 116.85 1lla h ARG 273 Ca 0.07 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1lla h ARG 273 Cb 0.04 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1lla h ARG 273 CO -0.07 0.30 0.29 0.93 -1.51 0.00 0.00 179.97 179.91 1lla h GLU 274 N 0.46 0.84 -0.59 0.20 4.39 -1.27 -0.44 114.58 118.18 1lla h GLU 274 Ca 0.18 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 1lla h GLU 274 Cb 0.06 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1lla h GLU 274 CO -0.11 0.68 -0.04 0.00 -1.16 0.00 0.00 179.01 178.38 1lla h ARG 275 N 0.80 1.06 -0.45 2.33 3.08 -0.94 -0.99 114.38 119.28 1lla h ARG 275 Ca 0.20 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1lla h ARG 275 Cb 0.11 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1lla h ARG 275 CO -0.03 1.06 0.09 0.82 -1.07 0.00 0.00 179.97 180.84 1lla h ILE 276 N 0.96 1.24 -0.32 2.04 2.04 -0.82 -2.75 117.51 119.89 1lla h ILE 276 Ca 0.16 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 1lla h ILE 276 Cb 0.61 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1lla h ILE 276 CO 0.04 0.30 -0.08 -0.07 0.00 0.00 0.00 178.15 178.34 1lla h LEU 277 N 0.60 0.51 -0.10 1.44 3.38 -0.86 -2.16 115.31 118.11 1lla h LEU 277 Ca 0.14 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1lla h LEU 277 Cb 0.35 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1lla h LEU 277 CO 0.00 0.63 -0.24 -0.78 0.09 0.00 0.00 178.44 178.14 1lla h ASP 278 N 0.50 -0.74 -0.53 -0.43 3.58 -1.12 -2.16 116.42 115.51 1lla h ASP 278 Ca 0.10 0.12 -0.08 0.00 0.42 0.00 0.00 57.03 57.58 1lla h ASP 278 Cb 0.44 0.32 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 1lla h ASP 278 CO 0.02 -0.29 0.04 0.28 -2.88 0.00 0.00 179.24 176.41 1lla h SER 279 N -0.32 0.92 -0.25 2.28 0.02 -1.20 -0.63 113.55 114.38 1lla h SER 279 Ca 0.09 -0.23 0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1lla h SER 279 Cb 0.46 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1lla h SER 279 CO -0.29 0.96 0.04 0.40 -1.14 0.00 0.00 176.83 176.80 1lla h ILE 280 N 0.89 0.87 0.00 3.27 2.04 -1.24 0.20 117.51 123.54 1lla h ILE 280 Ca 0.17 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.91 1lla h ILE 280 Cb 0.47 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1lla h ILE 280 CO 0.02 0.02 -0.39 0.45 0.00 0.00 0.00 178.15 178.25 1lla h HIS 281 N 0.13 0.00 0.00 1.37 3.86 -1.24 -2.96 115.15 116.30 1lla h HIS 281 Ca 0.12 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.13 1lla h HIS 281 Cb 0.12 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1lla h HIS 281 CO -0.17 0.39 -0.91 -0.07 0.86 0.00 0.00 177.93 178.03 1lla h LEU 282 N 0.00 0.00 0.00 2.43 3.38 -0.91 -3.49 115.31 116.72 1lla h LEU 282 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lla h LEU 282 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1lla h LEU 282 CO 0.05 0.91 0.00 0.61 0.09 0.00 0.00 178.44 180.10 1lla n GLY 283 N 1.21 0.96 3.30 0.83 0.00 0.69 -5.07 105.19 107.11 1lla n GLY 283 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1lla n GLY 283 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1lla s TYR 284 N -2.00 -0.22 0.37 1.61 -0.85 -1.11 -2.15 117.35 113.01 1lla s TYR 284 Ca 0.00 0.16 0.08 0.00 -0.52 0.00 0.00 57.07 56.79 1lla s TYR 284 Cb 0.00 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 1lla s TYR 284 CO 0.00 -0.55 0.19 0.14 -1.52 0.00 0.00 175.55 173.81 1lla s VAL 285 N -2.46 2.78 -0.23 -3.49 -7.23 0.13 -4.54 120.40 105.36 1lla s VAL 285 Ca -0.05 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.43 1lla s VAL 285 Cb -0.01 -2.99 -0.02 0.00 0.56 0.00 0.00 36.38 33.92 1lla s VAL 285 CO -0.02 -0.10 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.03 1lla s ILE 286 N -2.48 3.75 0.98 -0.62 1.01 -1.26 -0.23 121.20 122.35 1lla s ILE 286 Ca 0.40 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.53 1lla s ILE 286 Cb -0.01 -2.72 0.20 0.00 0.01 0.00 0.00 42.46 39.93 1lla s ILE 286 CO 0.24 0.40 1.27 -0.44 0.00 0.00 0.00 174.94 176.40 1lla s SER 287 N 1.44 2.98 0.32 3.58 0.01 0.13 -4.62 113.70 117.54 1lla s SER 287 Ca 0.05 0.41 0.01 0.00 1.31 0.00 0.00 55.95 57.74 1lla s SER 287 Cb -0.15 -0.56 0.53 0.00 0.21 0.00 0.00 66.02 66.05 1lla s SER 287 CO -0.00 -2.83 1.92 -0.33 0.41 0.00 0.00 173.24 172.41 1lla h GLU 288 N -1.70 0.81 0.00 12.44 5.08 -1.87 0.26 114.58 129.60 1lla h GLU 288 Ca -0.45 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1lla h GLU 288 Cb 1.26 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1lla h GLU 288 CO 0.42 0.63 0.00 -0.40 -1.00 0.00 0.00 179.01 178.66 1lla n ASP 289 N -4.36 0.00 0.00 1.42 5.75 -1.26 -4.89 116.55 113.21 1lla n ASP 289 Ca 0.05 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 1lla n ASP 289 Cb 0.13 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1lla n ASP 289 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lla n GLY 290 N 0.38 0.81 3.88 6.12 0.00 0.91 -5.04 105.19 112.24 1lla n GLY 290 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1lla n GLY 290 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lla s SER 291 N -2.64 6.31 -0.14 1.61 1.04 -1.26 -4.77 113.70 113.85 1lla s SER 291 Ca 0.00 1.29 -0.14 0.00 0.48 0.00 0.00 55.95 57.57 1lla s SER 291 Cb 0.00 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 63.67 1lla s SER 291 CO 0.00 -0.72 0.33 -1.00 0.98 0.00 0.00 173.24 172.83 1lla s HIS 292 N -2.94 3.49 -0.17 5.02 3.76 -1.26 -0.70 115.29 122.49 1lla s HIS 292 Ca 0.53 0.67 0.01 0.00 -0.15 0.00 0.00 55.06 56.12 1lla s HIS 292 Cb -0.11 -2.36 0.01 0.00 1.11 0.00 0.00 32.58 31.23 1lla s HIS 292 CO 0.47 0.27 -0.19 0.21 -0.85 0.00 0.00 174.74 174.65 1lla s LYS 293 N 0.34 3.05 0.17 1.40 2.20 0.69 -4.92 119.74 122.67 1lla s LYS 293 Ca 0.19 -0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 1lla s LYS 293 Cb -0.14 -2.58 -0.07 0.00 -1.51 0.00 0.00 37.83 33.53 1lla s LYS 293 CO 0.06 -0.15 1.08 0.99 -0.36 0.00 0.00 175.35 176.96 1lla s THR 294 N 1.18 3.95 -1.17 3.43 2.01 -1.26 0.21 115.64 123.99 1lla s THR 294 Ca 0.02 1.69 -0.20 0.00 0.31 0.00 0.00 61.69 63.50 1lla s THR 294 Cb -0.14 -4.08 0.04 0.00 0.01 0.00 0.00 72.50 68.34 1lla s THR 294 CO -0.09 0.29 1.67 -0.76 -0.69 0.00 0.00 174.62 175.04 1lla s LEU 295 N -0.34 3.62 0.92 4.42 1.43 -0.91 -4.84 118.68 122.98 1lla s LEU 295 Ca 0.49 -1.95 -0.12 0.00 -1.03 0.00 0.00 54.13 51.51 1lla s LEU 295 Cb -0.28 -2.58 0.15 0.00 0.03 0.00 0.00 46.19 43.50 1lla s LEU 295 CO 0.34 -1.54 1.14 1.51 0.23 0.00 0.00 176.35 178.03 1lla s ASP 296 N 4.89 3.38 0.34 2.29 -4.77 -1.26 -4.72 116.67 116.82 1lla s ASP 296 Ca 0.54 0.96 0.02 0.00 -3.30 0.00 0.00 52.55 50.76 1lla s ASP 296 Cb 0.02 -1.53 0.60 0.00 -1.09 0.00 0.00 42.92 40.92 1lla s ASP 296 CO 0.02 -2.63 2.00 -0.33 0.70 0.00 0.00 175.17 174.93 1lla h GLU 297 N -1.55 0.86 0.11 2.11 5.08 -1.99 0.18 114.58 119.38 1lla h GLU 297 Ca -0.51 -0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 57.51 1lla h GLU 297 Cb 1.33 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 30.41 1lla h GLU 297 CO 0.61 0.58 -1.22 1.25 -1.00 0.00 0.00 179.01 179.23 1lla h LEU 298 N 0.88 0.78 -0.12 1.33 5.85 -2.00 -3.40 115.31 118.63 1lla h LEU 298 Ca 0.24 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1lla h LEU 298 Cb -0.08 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.70 1lla h LEU 298 CO -0.05 1.53 -0.02 1.41 -0.34 0.00 0.00 178.44 180.98 1lla n HIS 299 N -3.75 0.00 -0.32 1.25 8.25 -1.17 -4.78 115.22 114.70 1lla n HIS 299 Ca -0.12 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.30 1lla n HIS 299 Cb 0.98 0.00 0.08 0.00 1.12 0.00 0.00 29.99 32.17 1lla n HIS 299 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1lla h GLY 300 N 0.10 1.24 1.13 -1.41 0.00 -0.84 -1.48 103.07 101.81 1lla h GLY 300 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 1lla h GLY 300 CO 0.00 0.48 -0.04 -0.84 0.00 0.00 0.00 176.54 176.14 1lla h THR 301 N 1.18 1.26 -0.17 4.70 2.02 -1.86 -1.35 112.91 118.69 1lla h THR 301 Ca 0.31 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 1lla h THR 301 Cb -0.08 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1lla h THR 301 CO -0.06 0.43 0.09 -0.78 0.37 0.00 0.00 175.52 175.56 1lla h ASP 302 N 0.93 0.21 -0.72 4.18 3.58 -1.71 0.25 116.42 123.14 1lla h ASP 302 Ca 0.16 -0.08 0.06 0.00 0.42 0.00 0.00 57.03 57.59 1lla h ASP 302 Cb 0.59 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.53 1lla h ASP 302 CO 0.04 0.23 0.41 0.40 -2.88 0.00 0.00 179.24 177.44 1lla h ILE 303 N 0.17 0.98 -0.30 2.25 2.04 -1.16 -1.59 117.51 119.90 1lla h ILE 303 Ca 0.06 -0.26 -0.16 0.00 1.00 0.00 0.00 64.86 65.50 1lla h ILE 303 Cb 0.07 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1lla h ILE 303 CO -0.01 0.14 -0.47 0.25 0.00 0.00 0.00 178.15 178.06 1lla h LEU 304 N 0.75 0.87 -0.79 1.44 5.85 -1.09 -2.79 115.31 119.55 1lla h LEU 304 Ca 0.32 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 1lla h LEU 304 Cb 0.20 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1lla h LEU 304 CO -0.19 1.20 -0.01 1.23 -0.34 0.00 0.00 178.44 180.33 1lla h GLY 305 N 0.84 0.97 1.42 3.75 0.00 -0.02 -1.09 103.07 108.95 1lla h GLY 305 Ca 0.03 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.64 1lla h GLY 305 CO 0.10 0.63 0.11 0.00 0.00 0.00 0.00 176.54 177.38 1lla h ALA 306 N 1.15 1.29 0.00 3.60 0.00 -1.29 -1.02 119.26 122.99 1lla h ALA 306 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1lla h ALA 306 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1lla h ALA 306 CO 0.03 0.50 -0.87 1.37 0.00 0.00 0.00 179.25 180.27 1lla h LEU 307 N 0.71 0.00 0.12 0.00 8.10 -1.21 0.27 115.31 123.30 1lla h LEU 307 Ca 0.16 -0.04 -0.19 0.00 0.11 0.00 0.00 57.88 57.92 1lla h LEU 307 Cb 0.28 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.51 1lla h LEU 307 CO -0.00 0.02 -0.89 0.58 -4.11 0.00 0.00 178.44 174.04 1lla h VAL 308 N 0.00 1.42 -0.52 0.15 2.07 -1.12 -3.40 116.25 114.84 1lla h VAL 308 Ca 0.00 -2.48 0.09 0.00 0.82 0.00 0.00 66.70 65.13 1lla h VAL 308 Cb 0.95 3.08 -0.07 0.00 -1.52 0.00 0.00 31.29 33.74 1lla h VAL 308 CO 0.00 0.69 0.13 -0.08 0.02 0.00 0.00 177.57 178.33 1lla h GLU 309 N -0.43 0.27 -6.78 1.57 4.81 -1.33 -2.54 114.58 110.15 1lla h GLU 309 Ca -0.17 -0.02 -0.46 0.00 -0.13 0.00 0.00 59.36 58.58 1lla h GLU 309 Cb 1.60 -0.06 0.03 0.00 0.63 0.00 0.00 28.75 30.95 1lla h GLU 309 CO 0.11 0.18 -0.04 -1.54 -0.73 0.00 0.00 179.01 176.98 1lla s SER 310 N -5.33 5.77 0.45 1.04 1.04 -1.26 -1.94 113.70 113.46 1lla s SER 310 Ca -0.13 0.35 0.07 0.00 0.48 0.00 0.00 55.95 56.72 1lla s SER 310 Cb 0.16 -1.54 -0.02 0.00 0.10 0.00 0.00 66.02 64.72 1lla s SER 310 CO 0.73 -0.78 0.26 -0.94 0.98 0.00 0.00 173.24 173.48 1lla s SER 311 N -4.24 4.58 0.42 7.02 1.04 0.95 -4.89 113.70 118.58 1lla s SER 311 Ca 0.50 -1.08 0.22 0.00 0.48 0.00 0.00 55.95 56.06 1lla s SER 311 Cb -0.10 -0.24 1.19 0.00 0.10 0.00 0.00 66.02 66.97 1lla s SER 311 CO 0.39 -0.71 1.76 0.22 0.98 0.00 0.00 173.24 175.89 1lla h TYR 312 N 1.19 0.56 -0.06 5.02 3.20 -1.20 -0.74 116.97 124.93 1lla h TYR 312 Ca -0.41 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.48 1lla h TYR 312 Cb 1.27 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.38 1lla h TYR 312 CO 0.74 0.03 0.00 0.39 -1.64 0.00 0.00 178.16 177.68 1lla n GLU 313 N -4.58 1.22 -1.57 1.82 1.02 -1.26 -4.89 120.64 112.41 1lla n GLU 313 Ca 0.26 -0.33 -0.53 0.00 -0.02 0.00 0.00 57.16 56.54 1lla n GLU 313 Cb 0.97 -1.26 -0.06 0.00 -0.02 0.00 0.00 31.44 31.07 1lla n GLU 313 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1lla n SER 314 N -0.40 1.27 0.22 1.62 2.88 -0.29 -4.88 113.62 114.05 1lla n SER 314 Ca 0.12 1.13 0.15 0.00 -1.33 0.00 0.00 58.87 58.94 1lla n SER 314 Cb 0.13 -1.14 0.68 0.00 -0.75 0.00 0.00 64.21 63.13 1lla n SER 314 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1lla h VAL 315 N 3.17 0.00 -0.83 2.46 -1.51 -1.89 -3.39 116.25 114.26 1lla h VAL 315 Ca -0.48 -0.26 -0.06 0.00 -1.23 0.00 0.00 66.70 64.67 1lla h VAL 315 Cb 1.36 1.08 -0.17 0.00 -2.13 0.00 0.00 31.29 31.43 1lla h VAL 315 CO 0.74 0.00 -0.39 0.21 -1.23 0.00 0.00 177.57 176.90 1lla s ASN 316 N -4.84 -1.25 0.29 4.19 3.84 -1.26 -3.03 114.94 112.87 1lla s ASN 316 Ca 0.01 -0.99 0.04 0.00 0.21 0.00 0.00 52.86 52.13 1lla s ASN 316 Cb 0.09 1.62 0.43 0.00 -0.55 0.00 0.00 41.25 42.83 1lla s ASN 316 CO 0.42 -0.10 1.71 -0.74 -2.79 0.00 0.00 177.10 175.60 1lla h HIS 317 N 5.89 0.45 -0.48 0.43 -0.00 -1.88 -0.86 115.15 118.70 1lla h HIS 317 Ca 0.04 -0.10 -0.10 0.00 -0.00 0.00 0.00 60.37 60.20 1lla h HIS 317 Cb 1.16 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.45 1lla h HIS 317 CO 0.08 0.67 -0.11 1.49 -0.00 0.00 0.00 177.93 180.06 1lla h GLU 318 N 0.35 0.88 0.00 5.26 4.57 -1.95 0.15 114.58 123.84 1lla h GLU 318 Ca 0.05 -0.31 -0.07 0.00 -1.18 0.00 0.00 59.36 57.85 1lla h GLU 318 Cb 0.72 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1lla h GLU 318 CO 0.06 0.95 -0.49 -0.92 -1.18 0.00 0.00 179.01 177.42 1lla h TYR 319 N 0.79 0.00 0.00 0.92 3.20 -1.93 -3.40 116.97 116.55 1lla h TYR 319 Ca 0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1lla h TYR 319 Cb 0.63 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1lla h TYR 319 CO 0.04 0.70 -0.55 1.88 -1.64 0.00 0.00 178.16 178.59 1lla h TYR 320 N -1.00 0.00 0.00 -3.82 0.05 -1.26 -3.45 116.97 107.48 1lla h TYR 320 Ca -0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.68 1lla h TYR 320 Cb 0.76 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.50 1lla h TYR 320 CO 0.05 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.57 1lla n GLY 321 N 1.20 0.60 2.70 3.88 0.00 0.04 -4.50 105.19 109.11 1lla n GLY 321 Ca 0.02 -1.11 -0.07 0.00 0.00 0.00 0.00 46.02 44.86 1lla n GLY 321 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lla n ASN 322 N 3.18 -1.87 0.11 1.61 5.15 -1.26 -4.59 115.26 117.60 1lla n ASN 322 Ca 0.00 -2.45 -0.13 0.00 -0.60 0.00 0.00 54.58 51.40 1lla n ASN 322 Cb 0.00 0.99 -0.08 0.00 -0.53 0.00 0.00 39.78 40.17 1lla n ASN 322 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1lla h LEU 323 N 1.95 -0.18 -0.47 1.20 5.85 -1.78 -2.17 115.31 119.71 1lla h LEU 323 Ca -0.29 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1lla h LEU 323 Cb 1.30 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 1lla h LEU 323 CO -0.07 -0.08 0.30 -0.74 -0.34 0.00 0.00 178.44 177.51 1lla h HIS 324 N -0.27 0.56 -0.22 1.25 2.76 -1.48 -1.69 115.15 116.08 1lla h HIS 324 Ca -0.02 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.05 1lla h HIS 324 Cb 0.21 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 1lla h HIS 324 CO -0.05 0.35 -0.30 -0.91 -1.30 0.00 0.00 177.93 175.71 1lla h ASN 325 N 0.61 0.65 0.05 3.26 2.35 -1.33 -2.43 115.58 118.73 1lla h ASN 325 Ca 0.18 -0.51 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1lla h ASN 325 Cb -0.04 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 1lla h ASN 325 CO -0.05 1.03 -0.04 -0.50 -1.65 0.00 0.00 177.43 176.22 1lla h TRP 326 N 0.28 0.00 -0.14 1.19 -0.00 -1.36 -1.73 115.95 114.20 1lla h TRP 326 Ca 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 58.89 58.95 1lla h TRP 326 Cb 0.88 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 30.00 1lla h TRP 326 CO 0.08 0.04 -0.09 0.78 -0.00 0.00 0.00 178.44 179.25 1lla h GLY 327 N 0.13 0.03 0.41 1.49 0.00 -0.81 0.64 103.07 104.95 1lla h GLY 327 Ca -0.00 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.50 1lla h GLY 327 CO 0.01 -0.11 -0.06 0.45 0.00 0.00 0.00 176.54 176.83 1lla h HIS 328 N -0.09 -0.13 -0.18 5.60 3.86 -1.23 -1.48 115.15 121.50 1lla h HIS 328 Ca 0.09 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1lla h HIS 328 Cb 0.22 0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1lla h HIS 328 CO -0.22 -0.12 0.07 0.28 0.86 0.00 0.00 177.93 178.80 1lla h VAL 329 N 0.02 1.16 -0.06 2.45 2.07 -1.06 0.10 116.25 120.92 1lla h VAL 329 Ca 0.15 -0.47 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 1lla h VAL 329 Cb 0.22 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1lla h VAL 329 CO -0.30 0.15 -0.45 0.71 0.02 0.00 0.00 177.57 177.69 1lla h THR 330 N 0.13 1.33 -0.07 2.57 1.35 -0.85 -2.03 112.91 115.34 1lla h THR 330 Ca 0.06 -1.60 -0.20 0.00 -0.55 0.00 0.00 66.41 64.11 1lla h THR 330 Cb 0.17 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1lla h THR 330 CO -0.01 0.47 -0.80 0.24 -0.25 0.00 0.00 175.52 175.18 1lla h MET 331 N 0.12 0.47 0.00 4.72 2.86 -1.12 -2.47 114.93 119.52 1lla h MET 331 Ca 0.01 -0.42 -0.06 0.00 -2.06 0.00 0.00 59.70 57.17 1lla h MET 331 Cb 0.85 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1lla h MET 331 CO 0.07 1.06 -0.28 0.00 1.06 0.00 0.00 176.91 178.81 1lla h ALA 332 N 0.81 1.04 -0.49 6.32 0.00 -0.78 -3.20 119.26 122.98 1lla h ALA 332 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1lla h ALA 332 Cb 1.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1lla h ALA 332 CO 0.14 0.36 0.00 0.54 0.00 0.00 0.00 179.25 180.29 1lla n ARG 333 N -3.49 3.18 0.28 0.00 1.74 -0.78 -0.75 116.66 116.84 1lla n ARG 333 Ca -0.00 -2.57 0.13 0.00 -0.77 0.00 0.00 57.85 54.63 1lla n ARG 333 Cb 0.45 -1.64 0.80 0.00 -1.02 0.00 0.00 32.46 31.06 1lla n ARG 333 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1lla h ILE 334 N 3.00 0.68 0.00 0.55 2.10 -1.44 -0.85 117.51 121.55 1lla h ILE 334 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1lla h ILE 334 Cb 1.15 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.95 1lla h ILE 334 CO 0.12 0.03 0.00 1.12 -1.08 0.00 0.00 178.15 178.34 1lla h HIS 335 N 0.00 0.00 -0.94 2.19 2.07 -1.86 -3.37 115.15 113.24 1lla h HIS 335 Ca -0.00 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.16 1lla h HIS 335 Cb 0.07 0.00 -0.27 0.00 2.57 0.00 0.00 27.41 29.78 1lla h HIS 335 CO 0.00 0.00 -0.80 -3.47 -3.07 0.00 0.00 177.93 170.59 1lla n ASP 336 N -2.70 -0.94 0.13 3.10 2.03 -0.38 -5.00 116.55 112.79 1lla n ASP 336 Ca 0.04 -3.33 0.07 0.00 0.52 0.00 0.00 54.79 52.09 1lla n ASP 336 Cb 0.43 0.73 0.56 0.00 -0.72 0.00 0.00 41.12 42.11 1lla n ASP 336 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1lla h PRO 337 N 3.14 0.22 -0.26 -0.67 0.13 -1.58 -1.53 132.00 131.45 1lla h PRO 337 Ca -0.01 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1lla h PRO 337 Cb 1.03 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1lla h PRO 337 CO 0.32 0.14 0.00 -0.40 -0.23 0.00 0.00 178.00 177.83 1lla n ASP 338 N -4.50 3.41 0.00 1.44 5.68 -1.26 -4.22 116.55 117.09 1lla n ASP 338 Ca 0.01 -2.66 0.00 0.00 -0.50 0.00 0.00 54.79 51.63 1lla n ASP 338 Cb 0.13 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 1lla n ASP 338 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lla n GLY 339 N -0.25 2.68 0.34 6.12 0.00 -0.58 -4.88 105.19 108.62 1lla n GLY 339 Ca 0.17 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.37 1lla n GLY 339 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1lla h ARG 340 N 2.19 0.00 -0.01 1.61 0.11 -1.94 -0.87 114.38 115.47 1lla h ARG 340 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1lla h ARG 340 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1lla h ARG 340 CO 0.00 0.00 -0.37 1.19 0.10 0.00 0.00 179.97 180.89 1lla n PHE 341 N -3.48 0.00 -3.87 4.08 3.72 -1.26 -4.97 117.46 111.68 1lla n PHE 341 Ca -0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 1lla n PHE 341 Cb 0.28 -0.05 0.03 0.00 -0.94 0.00 0.00 39.48 38.81 1lla n PHE 341 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1lla n HIS 342 N -0.20 -2.24 -4.01 1.38 8.25 -0.33 -4.98 115.22 113.09 1lla n HIS 342 Ca 0.11 0.90 -0.35 0.00 -0.26 0.00 0.00 57.72 58.11 1lla n HIS 342 Cb 0.43 -4.09 -0.06 0.00 1.12 0.00 0.00 29.99 27.38 1lla n HIS 342 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1lla s GLU 343 N -6.49 3.28 0.74 -0.41 0.41 -1.26 -5.10 118.70 109.87 1lla s GLU 343 Ca 0.52 -0.30 -0.13 0.00 -0.41 0.00 0.00 54.97 54.65 1lla s GLU 343 Cb -0.26 -3.03 0.04 0.00 -1.78 0.00 0.00 34.13 29.10 1lla s GLU 343 CO 0.83 0.71 1.12 -1.21 -0.49 0.00 0.00 175.26 176.22 1lla s GLU 344 N -1.39 2.28 0.86 1.61 0.41 -1.26 -4.96 118.70 116.24 1lla s GLU 344 Ca 0.20 1.39 -0.11 0.00 -0.41 0.00 0.00 54.97 56.03 1lla s GLU 344 Cb -0.12 -1.88 0.11 0.00 -1.78 0.00 0.00 34.13 30.45 1lla s GLU 344 CO 0.10 -1.66 1.10 -2.14 -0.49 0.00 0.00 175.26 172.17 1lla s PRO 345 N -4.43 1.53 0.61 0.39 0.02 -1.26 -3.97 135.00 127.89 1lla s PRO 345 Ca 0.66 1.14 -0.09 0.00 0.02 0.00 0.00 61.00 62.72 1lla s PRO 345 Cb -0.21 -1.82 0.14 0.00 0.02 0.00 0.00 34.50 32.63 1lla s PRO 345 CO 0.49 -2.14 0.83 0.41 -0.33 0.00 0.00 177.00 176.26 1lla n GLY 346 N -0.77 -1.09 0.19 0.52 0.00 0.07 -3.04 105.19 101.08 1lla n GLY 346 Ca 0.09 -1.74 0.14 0.00 0.00 0.00 0.00 46.02 44.51 1lla n GLY 346 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1lla h VAL 347 N -1.36 0.00 0.00 1.61 -1.51 -1.90 -2.10 116.25 110.99 1lla h VAL 347 Ca -0.27 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1lla h VAL 347 Cb 0.77 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 1lla h VAL 347 CO 0.20 0.00 0.00 0.23 -1.23 0.00 0.00 177.57 176.77 1lla n MET 348 N -2.47 0.12 0.14 5.19 2.81 -1.26 -2.88 117.12 118.76 1lla n MET 348 Ca -0.01 0.38 0.13 0.00 -1.81 0.00 0.00 57.70 56.39 1lla n MET 348 Cb 0.12 -1.74 0.48 0.00 -0.71 0.00 0.00 33.22 31.36 1lla n MET 348 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1lla h SER 349 N 0.00 0.00 -3.39 7.83 4.64 -1.61 -3.44 113.55 117.57 1lla h SER 349 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1lla h SER 349 Cb 0.29 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.04 1lla h SER 349 CO 0.00 0.00 -0.81 -0.62 -0.87 0.00 0.00 176.83 174.53 1lla s ASP 350 N -4.47 1.81 0.56 4.97 -1.08 -1.14 -0.23 116.67 117.09 1lla s ASP 350 Ca 0.06 -0.30 0.33 0.00 -0.52 0.00 0.00 52.55 52.12 1lla s ASP 350 Cb 0.10 -0.83 1.65 0.00 -1.46 0.00 0.00 42.92 42.38 1lla s ASP 350 CO 0.46 0.02 2.12 0.71 0.52 0.00 0.00 175.17 179.00 1lla h THR 351 N 5.99 0.30 -0.00 1.71 1.35 -1.88 -2.29 112.91 118.08 1lla h THR 351 Ca -0.31 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1lla h THR 351 Cb 1.18 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1lla h THR 351 CO 0.47 0.06 -0.01 -1.54 -0.25 0.00 0.00 175.52 174.25 1lla n SER 352 N -3.37 0.04 0.00 5.36 3.41 -1.26 -3.60 113.62 114.20 1lla n SER 352 Ca -0.01 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1lla n SER 352 Cb 0.22 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1lla n SER 352 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1lla n THR 353 N -1.28 0.00 0.20 6.66 -2.24 -1.03 -4.61 114.28 111.97 1lla n THR 353 Ca 0.14 -0.40 0.07 0.00 -2.27 0.00 0.00 64.05 61.58 1lla n THR 353 Cb 0.25 1.04 0.38 0.00 -2.10 0.00 0.00 70.33 69.90 1lla n THR 353 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1lla h SER 354 N 0.00 0.00 0.81 3.42 4.64 -1.29 -2.13 113.55 119.00 1lla h SER 354 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lla h SER 354 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1lla h SER 354 CO 0.00 0.34 0.00 0.18 -0.87 0.00 0.00 176.83 176.48 1lla n LEU 355 N -3.55 0.65 0.15 5.97 4.77 -1.26 -2.09 117.00 121.65 1lla n LEU 355 Ca -0.00 0.65 0.02 0.00 -0.03 0.00 0.00 56.01 56.64 1lla n LEU 355 Cb 0.47 -0.54 0.37 0.00 -2.33 0.00 0.00 43.42 41.39 1lla n LEU 355 CO 0.36 -0.50 0.79 0.03 -1.33 0.00 0.00 177.39 176.74 1lla h ARG 356 N 0.00 0.12 -5.71 3.23 3.08 -1.38 -3.43 114.38 110.30 1lla h ARG 356 Ca 0.00 -0.04 -0.60 0.00 0.07 0.00 0.00 59.98 59.42 1lla h ARG 356 Cb 0.41 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.35 1lla h ARG 356 CO 0.00 0.39 0.29 0.34 -1.07 0.00 0.00 179.97 179.91 1lla s ASP 357 N -6.92 6.75 0.35 7.04 -1.08 -0.89 -4.78 116.67 117.14 1lla s ASP 357 Ca -0.04 0.92 0.16 0.00 -0.52 0.00 0.00 52.55 53.06 1lla s ASP 357 Cb 0.15 -2.39 1.14 0.00 -1.46 0.00 0.00 42.92 40.35 1lla s ASP 357 CO 0.73 -0.40 1.64 -0.65 0.52 0.00 0.00 175.17 177.02 1lla h PRO 358 N 7.63 0.24 0.00 4.34 0.11 -1.87 -0.44 132.00 142.01 1lla h PRO 358 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1lla h PRO 358 Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1lla h PRO 358 CO 0.82 0.16 0.00 0.97 -0.21 0.00 0.00 178.00 179.73 1lla h ILE 359 N 0.25 0.00 -0.67 4.15 6.09 -1.92 -2.11 117.51 123.29 1lla h ILE 359 Ca 0.76 -0.24 0.13 0.00 -1.37 0.00 0.00 64.86 64.13 1lla h ILE 359 Cb 1.79 1.21 -0.09 0.00 0.47 0.00 0.00 36.82 40.20 1lla h ILE 359 CO -0.65 0.00 0.21 0.15 -3.07 0.00 0.00 178.15 174.79 1lla h PHE 360 N 0.00 0.34 -0.12 2.19 3.57 -1.32 -1.77 116.94 119.83 1lla h PHE 360 Ca 0.00 0.04 -0.23 0.00 3.53 0.00 0.00 57.97 61.31 1lla h PHE 360 Cb 0.25 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 38.95 1lla h PHE 360 CO 0.00 0.01 -0.83 1.88 -2.23 0.00 0.00 178.31 177.14 1lla h TYR 361 N 0.34 1.03 -0.58 0.41 0.05 -1.55 -1.26 116.97 115.41 1lla h TYR 361 Ca 0.36 -0.47 -0.07 0.00 0.05 0.00 0.00 58.73 58.60 1lla h TYR 361 Cb 0.54 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 1lla h TYR 361 CO -0.21 1.30 0.08 -0.91 -1.05 0.00 0.00 178.16 177.37 1lla h ASN 362 N 0.49 0.90 -0.43 3.88 2.35 -1.51 -0.92 115.58 120.34 1lla h ASN 362 Ca -0.07 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.42 1lla h ASN 362 Cb 1.46 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 1lla h ASN 362 CO 0.17 0.92 0.06 -0.25 -1.65 0.00 0.00 177.43 176.68 1lla h TRP 363 N 0.89 0.78 0.00 1.19 2.91 -1.21 -0.04 115.95 120.47 1lla h TRP 363 Ca 0.18 -0.11 -0.08 0.00 1.13 0.00 0.00 58.89 60.01 1lla h TRP 363 Cb 0.41 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.84 1lla h TRP 363 CO 0.03 0.74 -0.39 0.45 -1.03 0.00 0.00 178.44 178.24 1lla h HIS 364 N 0.58 0.00 -0.37 2.65 3.86 -1.00 -0.16 115.15 120.71 1lla h HIS 364 Ca 0.13 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.24 1lla h HIS 364 Cb 0.39 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1lla h HIS 364 CO 0.03 0.39 -0.17 -0.09 0.86 0.00 0.00 177.93 178.95 1lla h ARG 365 N 0.00 0.69 -0.02 2.45 9.65 -1.16 0.56 114.38 126.56 1lla h ARG 365 Ca -0.00 -0.25 -0.00 0.00 -1.10 0.00 0.00 59.98 58.63 1lla h ARG 365 Cb 0.94 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.47 1lla h ARG 365 CO 0.05 0.82 0.01 0.35 2.80 0.00 0.00 179.97 184.00 1lla h PHE 366 N 0.62 0.03 -0.36 2.20 3.57 -1.00 -0.41 116.94 121.60 1lla h PHE 366 Ca 0.10 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1lla h PHE 366 Cb 0.63 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1lla h PHE 366 CO 0.03 0.22 -0.03 0.82 -2.23 0.00 0.00 178.31 177.12 1lla h ILE 367 N -0.17 1.22 -0.14 1.41 1.08 -0.87 -2.12 117.51 117.91 1lla h ILE 367 Ca 0.01 -0.89 -0.10 0.00 -0.39 0.00 0.00 64.86 63.49 1lla h ILE 367 Cb 0.20 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 1lla h ILE 367 CO -0.00 0.30 -0.35 -0.78 -0.69 0.00 0.00 178.15 176.64 1lla h ASP 368 N 0.55 0.29 0.07 1.72 3.58 0.49 -2.73 116.42 120.39 1lla h ASP 368 Ca 0.11 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1lla h ASP 368 Cb 0.39 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 1lla h ASP 368 CO 0.02 0.62 -0.06 0.78 -2.88 0.00 0.00 179.24 177.72 1lla h ASN 369 N 0.24 0.00 0.04 2.28 2.35 -0.38 0.88 115.58 121.00 1lla h ASN 369 Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1lla h ASN 369 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1lla h ASN 369 CO 0.06 0.06 -0.02 0.40 -1.65 0.00 0.00 177.43 176.28 1lla h ILE 370 N 0.00 1.12 -0.48 2.81 2.04 -1.35 -0.45 117.51 121.19 1lla h ILE 370 Ca -0.00 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 1lla h ILE 370 Cb 0.11 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1lla h ILE 370 CO 0.01 0.13 0.09 -0.26 0.00 0.00 0.00 178.15 178.12 1lla h PHE 371 N -0.27 0.77 -0.76 1.37 0.04 -1.48 -2.42 116.94 114.19 1lla h PHE 371 Ca -0.01 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 1lla h PHE 371 Cb 0.25 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.14 1lla h PHE 371 CO -0.00 0.67 0.40 1.25 -0.60 0.00 0.00 178.31 180.03 1lla h HIS 372 N 0.72 1.06 -0.72 -0.55 2.76 -0.66 -0.42 115.15 117.34 1lla h HIS 372 Ca 0.16 -0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 1lla h HIS 372 Cb 0.31 -0.33 -0.06 0.00 1.55 0.00 0.00 27.41 28.88 1lla h HIS 372 CO 0.02 0.76 0.42 0.93 -1.30 0.00 0.00 177.93 178.76 1lla h GLU 373 N 1.05 0.76 -0.43 5.26 4.39 -0.60 -1.09 114.58 123.92 1lla h GLU 373 Ca 0.26 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 1lla h GLU 373 Cb 0.07 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1lla h GLU 373 CO -0.04 0.50 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.38 1lla h TYR 374 N 0.78 0.83 -0.22 4.33 3.20 -1.07 -3.22 116.97 121.61 1lla h TYR 374 Ca 0.32 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 1lla h TYR 374 Cb 0.16 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1lla h TYR 374 CO -0.06 0.83 -0.09 0.87 -1.64 0.00 0.00 178.16 178.07 1lla h LYS 375 N 0.59 0.35 0.00 1.82 1.79 -0.67 -0.90 116.57 119.56 1lla h LYS 375 Ca 0.12 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1lla h LYS 375 Cb 0.50 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1lla h LYS 375 CO 0.02 0.45 0.00 0.09 -1.08 0.00 0.00 179.45 178.93 1lla n ASN 376 N -4.27 0.61 -0.27 0.86 3.02 -0.45 -1.66 115.26 113.10 1lla n ASN 376 Ca 0.00 0.75 0.14 0.00 -0.03 0.00 0.00 54.58 55.44 1lla n ASN 376 Cb 0.26 -0.84 0.53 0.00 -0.61 0.00 0.00 39.78 39.12 1lla n ASN 376 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1lla n THR 377 N -2.29 0.00 -3.67 3.41 -2.24 -0.34 -4.88 114.28 104.27 1lla n THR 377 Ca -0.01 -0.14 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 1lla n THR 377 Cb 0.08 0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 1lla n THR 377 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1lla s LEU 378 N -2.30 4.29 0.25 3.22 1.43 -0.66 -5.06 118.68 119.85 1lla s LEU 378 Ca 0.32 0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 53.73 1lla s LEU 378 Cb 0.20 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 43.13 1lla s LEU 378 CO 0.44 0.09 1.13 -0.54 0.23 0.00 0.00 176.35 177.70 1lla s LYS 379 N -2.47 4.59 0.64 1.70 1.02 -1.26 -4.63 119.74 119.32 1lla s LYS 379 Ca 0.39 1.83 -0.17 0.00 0.02 0.00 0.00 55.97 58.04 1lla s LYS 379 Cb -0.12 -3.20 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 1lla s LYS 379 CO 0.23 0.12 0.72 -2.30 -0.92 0.00 0.00 175.35 173.20 1lla n PRO 380 N 1.53 0.57 -1.99 -1.68 -0.02 -1.26 -4.88 135.00 127.27 1lla n PRO 380 Ca 0.00 0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 1lla n PRO 380 Cb 0.45 -1.95 -0.01 0.00 -0.02 0.00 0.00 33.50 31.97 1lla n PRO 380 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1lla s TYR 381 N -1.71 2.85 0.55 6.00 2.02 -1.26 -5.02 117.35 120.77 1lla s TYR 381 Ca 0.71 1.33 0.00 0.00 -0.37 0.00 0.00 57.07 58.74 1lla s TYR 381 Cb -0.40 -3.80 0.03 0.00 -0.40 0.00 0.00 41.96 37.39 1lla s TYR 381 CO 0.52 -2.29 0.78 0.16 -1.57 0.00 0.00 175.55 173.15 1lla s ASP 382 N -0.40 5.31 0.34 2.29 1.47 -1.26 -4.95 116.67 119.46 1lla s ASP 382 Ca 0.51 0.07 0.07 0.00 1.18 0.00 0.00 52.55 54.39 1lla s ASP 382 Cb -0.42 -0.99 0.74 0.00 -0.34 0.00 0.00 42.92 41.92 1lla s ASP 382 CO 0.56 -1.12 1.87 -0.74 0.68 0.00 0.00 175.17 176.42 1lla h HIS 383 N 0.05 0.89 0.00 2.11 -0.00 -1.98 0.18 115.15 116.40 1lla h HIS 383 Ca -0.43 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 59.94 1lla h HIS 383 Cb 1.29 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1lla h HIS 383 CO 0.38 0.35 -0.11 0.22 -0.00 0.00 0.00 177.93 178.78 1lla h ASP 384 N 0.78 0.00 0.57 3.26 1.82 -1.94 0.19 116.42 121.10 1lla h ASP 384 Ca 0.44 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.80 1lla h ASP 384 Cb 0.60 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.60 1lla h ASP 384 CO -0.20 0.11 -1.44 0.58 -1.61 0.00 0.00 179.24 176.67 1lla h VAL 385 N 0.00 1.23 0.08 2.25 2.07 -1.04 -3.36 116.25 117.48 1lla h VAL 385 Ca -0.00 -2.91 -0.21 0.00 0.82 0.00 0.00 66.70 64.39 1lla h VAL 385 Cb 0.20 2.74 0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1lla h VAL 385 CO 0.01 0.81 -0.89 -0.07 0.02 0.00 0.00 177.57 177.45 1lla h LEU 386 N 0.05 0.65-10.11 2.57 3.38 -1.27 -3.48 115.31 107.09 1lla h LEU 386 Ca -0.20 -0.83 -0.50 0.00 0.09 0.00 0.00 57.88 56.44 1lla h LEU 386 Cb 1.97 -0.20 0.07 0.00 0.09 0.00 0.00 40.66 42.59 1lla h LEU 386 CO 0.15 1.41 0.42 0.21 0.09 0.00 0.00 178.44 180.71 1lla s ASN 387 N -7.05 5.71 -0.31 -0.43 3.04 0.67 -4.92 114.94 111.64 1lla s ASN 387 Ca -0.12 2.11 -0.00 0.00 0.04 0.00 0.00 52.86 54.89 1lla s ASN 387 Cb 0.04 -2.57 0.10 0.00 -1.54 0.00 0.00 41.25 37.27 1lla s ASN 387 CO 0.87 -1.23 0.09 0.12 -3.04 0.00 0.00 177.10 173.90 1lla s PHE 388 N -1.91 1.98 0.43 0.43 2.19 -1.26 -4.91 117.98 114.93 1lla s PHE 388 Ca 0.71 -1.88 -0.25 0.00 0.33 0.00 0.00 56.93 55.83 1lla s PHE 388 Cb -0.22 -1.86 -0.08 0.00 -1.31 0.00 0.00 43.02 39.55 1lla s PHE 388 CO 0.29 -0.88 1.31 -2.14 1.83 0.00 0.00 175.22 175.63 1lla s PRO 389 N 1.52 3.85 0.00 10.12 0.02 -1.26 -2.52 135.00 146.73 1lla s PRO 389 Ca 0.09 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.27 1lla s PRO 389 Cb -0.17 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.68 1lla s PRO 389 CO -0.22 -0.59 0.00 -0.25 -0.33 0.00 0.00 177.00 175.61 1lla n ASP 390 N -0.06 0.00 -4.78 2.53 8.00 -1.26 -4.97 116.55 116.00 1lla n ASP 390 Ca 0.05 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.19 1lla n ASP 390 Cb 0.44 -0.51 -0.07 0.00 -0.02 0.00 0.00 41.12 40.96 1lla n ASP 390 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lla s ILE 391 N -2.60 5.44 -0.06 0.53 -1.09 -1.05 -0.92 121.20 121.44 1lla s ILE 391 Ca 0.00 0.21 -0.00 0.00 -2.23 0.00 0.00 60.65 58.63 1lla s ILE 391 Cb 0.00 -3.45 0.02 0.00 -1.58 0.00 0.00 42.46 37.45 1lla s ILE 391 CO 0.00 0.50 -0.02 -1.58 -1.23 0.00 0.00 174.94 172.60 1lla s GLN 392 N -0.09 0.78 -0.19 2.79 0.74 -0.17 -4.13 119.66 119.39 1lla s GLN 392 Ca 0.11 -0.01 -0.23 0.00 0.05 0.00 0.00 55.36 55.27 1lla s GLN 392 Cb -0.11 -0.97 -0.02 0.00 1.10 0.00 0.00 33.01 33.01 1lla s GLN 392 CO 0.00 -0.20 0.76 0.08 -0.55 0.00 0.00 175.29 175.37 1lla s VAL 393 N 1.49 4.92 -0.16 1.34 1.01 -0.31 -0.82 120.40 127.88 1lla s VAL 393 Ca -0.02 1.46 0.12 0.00 0.00 0.00 0.00 61.98 63.54 1lla s VAL 393 Cb -0.13 -4.06 -0.23 0.00 0.00 0.00 0.00 36.38 31.95 1lla s VAL 393 CO -0.03 0.04 0.19 0.00 0.00 0.00 0.00 175.10 175.30 1lla n GLN 394 N 5.29 0.67 -3.52 2.72 6.02 0.70 -4.90 117.38 124.37 1lla n GLN 394 Ca 0.02 0.11 -0.12 0.00 -0.01 0.00 0.00 57.00 57.01 1lla n GLN 394 Cb 0.49 -1.60 -0.04 0.00 1.02 0.00 0.00 30.24 30.11 1lla n GLN 394 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1lla s ASP 395 N -5.91 -0.47 -0.03 1.08 2.15 -1.20 -4.97 116.67 107.32 1lla s ASP 395 Ca -0.13 0.30 0.02 0.00 0.43 0.00 0.00 52.55 53.17 1lla s ASP 395 Cb 0.07 0.43 0.01 0.00 -0.30 0.00 0.00 42.92 43.12 1lla s ASP 395 CO 0.79 -0.58 -0.09 -0.69 -0.17 0.00 0.00 175.17 174.42 1lla s VAL 396 N -2.11 0.81 -0.01 1.11 1.01 -1.26 -0.68 120.40 119.26 1lla s VAL 396 Ca -0.02 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1lla s VAL 396 Cb -0.01 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 1lla s VAL 396 CO -0.02 0.26 -0.15 -0.89 0.00 0.00 0.00 175.10 174.30 1lla s THR 397 N 0.29 1.21 -0.22 3.92 2.01 -0.53 -4.88 115.64 117.44 1lla s THR 397 Ca -0.05 -0.70 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 1lla s THR 397 Cb -0.10 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 1lla s THR 397 CO 0.01 0.31 0.14 -0.22 -0.69 0.00 0.00 174.62 174.16 1lla s LEU 398 N -0.45 4.10 -0.27 4.42 0.20 -1.26 -1.17 118.68 124.25 1lla s LEU 398 Ca 0.06 0.14 -0.08 0.00 0.69 0.00 0.00 54.13 54.94 1lla s LEU 398 Cb -0.06 -2.08 -0.02 0.00 -0.43 0.00 0.00 46.19 43.60 1lla s LEU 398 CO -0.00 0.12 0.10 -1.00 -0.29 0.00 0.00 176.35 175.27 1lla s HIS 399 N 0.74 3.12 0.00 5.38 3.76 0.41 0.59 115.29 129.29 1lla s HIS 399 Ca 0.07 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 1lla s HIS 399 Cb -0.13 -2.28 0.00 0.00 1.11 0.00 0.00 32.58 31.29 1lla s HIS 399 CO 0.02 -0.39 0.00 0.00 -0.85 0.00 0.00 174.74 173.52 1lla n ALA 400 N 4.94 0.00 -0.13 -1.40 0.00 -1.26 -1.22 120.51 121.44 1lla n ALA 400 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 1lla n ALA 400 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.99 1lla n ALA 400 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1lla h ARG 401 N 0.00 0.35 -5.27 0.00 2.43 -1.85 -3.35 114.38 106.69 1lla h ARG 401 Ca 0.00 -0.02 -0.65 0.00 -0.81 0.00 0.00 59.98 58.50 1lla h ARG 401 Cb 0.00 -0.08 -0.26 0.00 -0.42 0.00 0.00 29.97 29.21 1lla h ARG 401 CO 0.00 0.23 -0.74 0.08 -1.51 0.00 0.00 179.97 178.03 1lla s VAL 402 N -6.15 3.24 0.20 0.20 1.01 -1.26 -5.08 120.40 112.56 1lla s VAL 402 Ca -0.13 -0.59 -0.32 0.00 0.00 0.00 0.00 61.98 60.94 1lla s VAL 402 Cb 0.13 -2.39 -0.13 0.00 0.00 0.00 0.00 36.38 33.99 1lla s VAL 402 CO 0.72 0.51 1.62 0.47 0.00 0.00 0.00 175.10 178.42 1lla n ASP 403 N 3.71 3.52 -2.22 3.32 9.92 -1.26 -2.48 116.55 131.06 1lla n ASP 403 Ca -0.18 1.09 -0.17 0.00 -0.53 0.00 0.00 54.79 55.00 1lla n ASP 403 Cb 0.52 -1.51 0.02 0.00 -0.64 0.00 0.00 41.12 39.51 1lla n ASP 403 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1lla n ASN 404 N 3.37 -5.03 -3.77 -2.24 3.02 0.20 -4.94 115.26 105.87 1lla n ASN 404 Ca 0.15 -0.16 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 1lla n ASN 404 Cb 0.32 -3.97 -0.15 0.00 -0.61 0.00 0.00 39.78 35.38 1lla n ASN 404 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1lla s VAL 405 N -2.97 -0.04 -0.00 2.41 1.01 -1.03 -2.50 120.40 117.27 1lla s VAL 405 Ca 0.16 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1lla s VAL 405 Cb -0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1lla s VAL 405 CO 0.20 0.07 -0.07 -0.69 0.00 0.00 0.00 175.10 174.60 1lla s VAL 406 N 0.97 3.63 -0.07 2.92 1.01 -0.75 -4.54 120.40 123.57 1lla s VAL 406 Ca -0.08 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1lla s VAL 406 Cb -0.10 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1lla s VAL 406 CO -0.04 0.42 -0.13 -1.00 0.00 0.00 0.00 175.10 174.34 1lla s HIS 407 N -0.97 2.75 0.28 5.22 3.76 -1.26 -1.25 115.29 123.81 1lla s HIS 407 Ca 0.16 -0.25 0.12 0.00 -0.15 0.00 0.00 55.06 54.94 1lla s HIS 407 Cb -0.11 -1.69 -0.05 0.00 1.11 0.00 0.00 32.58 31.84 1lla s HIS 407 CO 0.07 0.11 -0.19 0.95 -0.85 0.00 0.00 174.74 174.82 1lla s THR 408 N -0.48 2.52 0.16 1.30 -4.23 -0.82 -0.87 115.64 113.22 1lla s THR 408 Ca 0.06 -2.37 -0.25 0.00 -1.18 0.00 0.00 61.69 57.96 1lla s THR 408 Cb -0.12 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.46 1lla s THR 408 CO 0.02 -0.39 0.90 0.72 -0.54 0.00 0.00 174.62 175.33 1lla s PHE 409 N -2.46 -0.18 0.12 3.99 -0.71 -0.75 -0.53 117.98 117.46 1lla s PHE 409 Ca 0.30 -0.12 -0.06 0.00 -1.04 0.00 0.00 56.93 56.01 1lla s PHE 409 Cb -0.05 0.64 -0.06 0.00 -1.21 0.00 0.00 43.02 42.34 1lla s PHE 409 CO 0.15 -0.86 0.37 -1.64 -1.34 0.00 0.00 175.22 171.90 1lla s MET 410 N -3.39 3.64 0.04 1.99 -1.94 -1.26 -1.23 119.30 117.15 1lla s MET 410 Ca 0.11 -0.05 -0.02 0.00 -1.71 0.00 0.00 55.69 54.02 1lla s MET 410 Cb -0.02 -2.89 -0.03 0.00 2.01 0.00 0.00 34.83 33.91 1lla s MET 410 CO 0.01 0.49 0.00 0.50 -0.01 0.00 0.00 175.02 176.02 1lla s ARG 411 N -2.48 0.53 0.10 2.03 3.52 -0.47 -4.93 118.95 117.24 1lla s ARG 411 Ca 0.39 -0.95 -0.08 0.00 -0.13 0.00 0.00 55.73 54.96 1lla s ARG 411 Cb -0.12 0.19 -0.06 0.00 -1.56 0.00 0.00 34.95 33.40 1lla s ARG 411 CO 0.23 -0.11 0.38 -1.83 -0.81 0.00 0.00 175.30 173.17 1lla s GLU 412 N -2.98 3.69 0.26 5.12 4.04 -1.26 -1.12 118.70 126.46 1lla s GLU 412 Ca -0.02 0.06 -0.04 0.00 0.04 0.00 0.00 54.97 55.01 1lla s GLU 412 Cb 0.01 -2.94 -0.02 0.00 0.02 0.00 0.00 34.13 31.21 1lla s GLU 412 CO -0.06 0.53 0.34 -1.14 -1.84 0.00 0.00 175.26 173.08 1lla s GLN 413 N -2.20 1.55 0.06 -4.83 0.74 0.23 -4.97 119.66 110.24 1lla s GLN 413 Ca 0.36 -1.58 0.04 0.00 0.05 0.00 0.00 55.36 54.22 1lla s GLN 413 Cb -0.13 0.38 -0.03 0.00 1.10 0.00 0.00 33.01 34.34 1lla s GLN 413 CO 0.20 -0.60 -0.11 -1.21 -0.55 0.00 0.00 175.29 173.03 1lla s GLU 414 N -3.76 0.67 -0.07 1.67 2.02 -1.26 -0.61 118.70 117.36 1lla s GLU 414 Ca 0.32 -0.86 0.04 0.00 0.02 0.00 0.00 54.97 54.49 1lla s GLU 414 Cb 0.02 -0.54 0.00 0.00 0.10 0.00 0.00 34.13 33.71 1lla s GLU 414 CO 0.15 0.11 -0.20 -1.17 0.02 0.00 0.00 175.26 174.17 1lla s LEU 415 N -1.68 1.95 -0.11 1.80 2.96 0.14 -4.90 118.68 118.83 1lla s LEU 415 Ca -0.06 -0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 53.11 1lla s LEU 415 Cb -0.10 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.39 1lla s LEU 415 CO 0.01 0.14 1.25 -0.70 -1.32 0.00 0.00 176.35 175.74 1lla s GLU 416 N 0.26 4.28 0.00 1.98 2.56 -1.26 -0.83 118.70 125.69 1lla s GLU 416 Ca -0.12 1.69 0.21 0.00 0.00 0.00 0.00 54.97 56.75 1lla s GLU 416 Cb -0.15 -3.68 -0.22 0.00 2.00 0.00 0.00 34.13 32.08 1lla s GLU 416 CO 0.05 -0.60 0.91 1.28 -0.56 0.00 0.00 175.26 176.34 1lla n LEU 417 N 5.99 1.01 0.04 2.70 4.77 -0.17 -4.62 117.00 126.72 1lla n LEU 417 Ca 0.13 -0.50 0.10 0.00 -0.03 0.00 0.00 56.01 55.71 1lla n LEU 417 Cb 0.45 -0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.97 1lla n LEU 417 CO 0.56 0.25 0.83 2.29 -1.33 0.00 0.00 177.39 179.98 1lla n LYS 418 N -1.48 0.07 0.04 3.23 2.85 -1.26 -1.24 118.16 120.38 1lla n LYS 418 Ca 0.04 0.23 0.12 0.00 -1.05 0.00 0.00 58.31 57.65 1lla n LYS 418 Cb 0.33 -1.62 0.14 0.00 -0.65 0.00 0.00 35.03 33.23 1lla n LYS 418 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1lla n HIS 419 N -1.76 0.38 -0.01 5.58 8.25 -1.26 -4.45 115.22 121.95 1lla n HIS 419 Ca 0.04 0.11 -0.01 0.00 -0.26 0.00 0.00 57.72 57.60 1lla n HIS 419 Cb 0.25 -0.52 -0.01 0.00 1.12 0.00 0.00 29.99 30.82 1lla n HIS 419 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lla n GLY 420 N 1.37 -0.08 3.72 -1.41 0.00 -0.76 0.01 105.19 108.04 1lla n GLY 420 Ca 0.03 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1lla n GLY 420 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1lla s ILE 421 N -2.05 3.51 -0.32 -0.61 -4.36 -0.37 -4.52 121.20 112.48 1lla s ILE 421 Ca -0.02 -1.72 -0.22 0.00 -0.26 0.00 0.00 60.65 58.43 1lla s ILE 421 Cb 0.01 -3.01 0.00 0.00 1.25 0.00 0.00 42.46 40.71 1lla s ILE 421 CO 0.07 -0.30 0.73 0.21 0.24 0.00 0.00 174.94 175.89 1lla s ASN 422 N -3.77 6.57 0.37 4.36 3.84 -1.26 -4.42 114.94 120.63 1lla s ASN 422 Ca 0.34 0.48 0.23 0.00 0.21 0.00 0.00 52.86 54.12 1lla s ASN 422 Cb -0.05 -2.38 0.24 0.00 -0.55 0.00 0.00 41.25 38.51 1lla s ASN 422 CO 0.22 -0.60 1.45 1.55 -2.79 0.00 0.00 177.10 176.93 1lla h PRO 423 N 8.25 0.00 0.00 0.43 0.13 -1.90 -3.49 132.00 135.42 1lla h PRO 423 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1lla h PRO 423 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1lla h PRO 423 CO 0.86 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.05 1lla n GLY 424 N 1.12 2.92 0.82 1.56 0.00 -1.26 -1.22 105.19 109.13 1lla n GLY 424 Ca 0.03 0.28 0.10 0.00 0.00 0.00 0.00 46.02 46.43 1lla n GLY 424 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lla n ASN 425 N 10.43 2.71 -4.77 1.61 4.13 -1.26 -4.92 115.26 123.18 1lla n ASN 425 Ca 0.00 -1.85 -0.36 0.00 1.68 0.00 0.00 54.58 54.04 1lla n ASN 425 Cb 0.00 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 1lla n ASN 425 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1lla s ALA 426 N -1.71 2.91 -0.37 5.41 0.00 -0.36 -4.40 121.76 123.24 1lla s ALA 426 Ca 0.24 0.86 0.23 0.00 0.00 0.00 0.00 51.96 53.29 1lla s ALA 426 Cb 0.17 -3.35 0.21 0.00 0.00 0.00 0.00 23.12 20.14 1lla s ALA 426 CO 0.26 -0.61 1.34 0.00 0.00 0.00 0.00 175.76 176.75 1lla h ARG 427 N 1.85 0.00 -1.51 0.00 -0.00 -1.68 -3.47 114.38 109.58 1lla h ARG 427 Ca -0.49 0.00 0.09 0.00 -0.50 0.00 0.00 59.98 59.08 1lla h ARG 427 Cb 1.25 0.00 -0.27 0.00 0.00 0.00 0.00 29.97 30.94 1lla h ARG 427 CO 0.60 0.00 0.50 0.45 0.00 0.00 0.00 179.97 181.52 1lla s SER 428 N -5.63 -0.40 -0.09 7.04 0.15 -1.26 -5.02 113.70 108.49 1lla s SER 428 Ca 0.04 0.75 -0.00 0.00 0.70 0.00 0.00 55.95 57.43 1lla s SER 428 Cb 0.08 0.84 0.02 0.00 -1.71 0.00 0.00 66.02 65.25 1lla s SER 428 CO 0.72 -0.13 -0.05 -0.63 1.20 0.00 0.00 173.24 174.35 1lla s ILE 429 N 0.41 0.79 0.06 6.45 1.09 -1.26 -1.12 121.20 127.62 1lla s ILE 429 Ca 0.01 -0.17 0.08 0.00 -1.10 0.00 0.00 60.65 59.48 1lla s ILE 429 Cb -0.05 -0.84 -0.03 0.00 -1.06 0.00 0.00 42.46 40.49 1lla s ILE 429 CO -0.09 0.32 -0.23 -0.54 -0.10 0.00 0.00 174.94 174.30 1lla s LYS 430 N 1.59 1.48 -0.03 2.79 1.02 -0.65 -1.00 119.74 124.94 1lla s LYS 430 Ca 0.01 -1.07 0.04 0.00 0.02 0.00 0.00 55.97 54.97 1lla s LYS 430 Cb -0.13 -1.68 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 1lla s LYS 430 CO -0.05 0.42 -0.13 0.00 -0.92 0.00 0.00 175.35 174.67 1lla s ALA 431 N -0.88 2.76 -0.16 5.17 0.00 -0.01 -0.63 121.76 128.00 1lla s ALA 431 Ca 0.09 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 1lla s ALA 431 Cb -0.09 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1lla s ALA 431 CO 0.03 0.57 0.08 0.50 0.00 0.00 0.00 175.76 176.94 1lla s ARG 432 N -0.99 3.74 0.33 0.00 3.52 -0.17 0.25 118.95 125.62 1lla s ARG 432 Ca 0.13 -0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.48 1lla s ARG 432 Cb -0.11 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1lla s ARG 432 CO 0.03 0.46 0.14 1.52 -0.81 0.00 0.00 175.30 176.63 1lla s TYR 433 N -0.14 1.69 0.14 5.12 1.13 0.22 -1.27 117.35 124.24 1lla s TYR 433 Ca 0.08 -1.30 0.11 0.00 -1.41 0.00 0.00 57.07 54.55 1lla s TYR 433 Cb -0.12 -0.98 -0.04 0.00 -1.10 0.00 0.00 41.96 39.72 1lla s TYR 433 CO 0.01 -0.41 -0.26 0.71 -2.51 0.00 0.00 175.55 173.10 1lla s TYR 434 N -3.48 2.24 -0.03 -3.49 1.51 -1.26 -0.60 117.35 112.24 1lla s TYR 434 Ca 0.33 -0.38 -0.10 0.00 -1.01 0.00 0.00 57.07 55.90 1lla s TYR 434 Cb 0.05 -1.20 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1lla s TYR 434 CO 0.17 0.34 0.23 -3.38 -1.11 0.00 0.00 175.55 171.80 1lla s HIS 435 N -1.17 -0.12 0.65 2.71 -3.43 -0.27 -4.94 115.29 108.71 1lla s HIS 435 Ca 0.14 0.23 -0.18 0.00 -0.80 0.00 0.00 55.06 54.45 1lla s HIS 435 Cb -0.10 0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 31.07 1lla s HIS 435 CO 0.06 -0.28 1.07 -0.11 -2.00 0.00 0.00 174.74 173.48 1lla n LEU 436 N 1.78 4.47 -3.86 5.38 7.94 -1.26 -1.37 117.00 130.08 1lla n LEU 436 Ca -0.20 0.78 -0.10 0.00 -1.11 0.00 0.00 56.01 55.38 1lla n LEU 436 Cb 0.56 -1.45 0.01 0.00 0.53 0.00 0.00 43.42 43.08 1lla n LEU 436 CO 0.20 -1.62 0.46 -0.62 -1.11 0.00 0.00 177.39 174.70 1lla s ASP 437 N -1.39 0.14 -0.01 1.96 -1.08 -0.36 -4.62 116.67 111.30 1lla s ASP 437 Ca 0.78 -1.17 -0.16 0.00 -0.52 0.00 0.00 52.55 51.49 1lla s ASP 437 Cb -0.39 0.81 0.03 0.00 -1.46 0.00 0.00 42.92 41.91 1lla s ASP 437 CO 0.45 -1.60 0.33 -1.38 0.52 0.00 0.00 175.17 173.49 1lla s HIS 438 N -2.55 -0.20 0.49 -5.34 -3.43 -1.26 -1.81 115.29 101.19 1lla s HIS 438 Ca 0.18 0.29 -0.22 0.00 -0.80 0.00 0.00 55.06 54.51 1lla s HIS 438 Cb -0.04 0.11 -0.07 0.00 -1.43 0.00 0.00 32.58 31.15 1lla s HIS 438 CO 0.13 -0.41 1.16 -1.83 -2.00 0.00 0.00 174.74 171.79 1lla s GLU 439 N -1.41 3.63 0.68 -0.38 -1.05 -0.05 -4.99 118.70 115.14 1lla s GLU 439 Ca -0.13 1.74 -0.17 0.00 -0.15 0.00 0.00 54.97 56.26 1lla s GLU 439 Cb -0.05 -2.29 -0.00 0.00 -0.44 0.00 0.00 34.13 31.35 1lla s GLU 439 CO 0.04 -0.65 1.10 -0.35 0.95 0.00 0.00 175.26 176.35 1lla n PRO 440 N -0.73 0.76 -3.97 -4.83 -0.04 -1.26 -4.81 135.00 120.12 1lla n PRO 440 Ca 0.09 0.31 -0.09 0.00 -0.04 0.00 0.00 63.50 63.77 1lla n PRO 440 Cb 0.49 -2.34 -0.04 0.00 -0.04 0.00 0.00 33.50 31.57 1lla n PRO 440 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1lla s PHE 441 N -1.64 0.29 0.19 0.54 -0.12 -1.26 -4.74 117.98 111.25 1lla s PHE 441 Ca 0.77 -0.68 -0.07 0.00 -0.05 0.00 0.00 56.93 56.90 1lla s PHE 441 Cb -0.37 0.30 -0.02 0.00 -0.63 0.00 0.00 43.02 42.31 1lla s PHE 441 CO 0.46 -1.08 0.27 -1.54 -0.05 0.00 0.00 175.22 173.28 1lla s SER 442 N -3.02 0.07 0.00 1.98 1.04 -0.36 -1.21 113.70 112.20 1lla s SER 442 Ca 0.21 -1.05 0.06 0.00 0.48 0.00 0.00 55.95 55.64 1lla s SER 442 Cb -0.02 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1lla s SER 442 CO 0.09 -0.92 -0.17 -0.31 0.98 0.00 0.00 173.24 172.91 1lla s TYR 443 N -4.04 2.60 -0.13 5.02 2.02 0.14 -0.45 117.35 122.51 1lla s TYR 443 Ca 0.24 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 1lla s TYR 443 Cb 0.04 -1.53 0.02 0.00 -0.40 0.00 0.00 41.96 40.09 1lla s TYR 443 CO 0.05 0.20 -0.11 0.00 -1.57 0.00 0.00 175.55 174.13 1lla s ALA 444 N -0.83 1.63 -0.18 3.71 0.00 -0.32 -1.90 121.76 123.87 1lla s ALA 444 Ca 0.13 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 1lla s ALA 444 Cb -0.11 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1lla s ALA 444 CO 0.03 -0.41 -0.10 0.08 0.00 0.00 0.00 175.76 175.36 1lla s VAL 445 N 1.58 3.08 -0.28 0.00 1.01 0.50 -1.45 120.40 124.84 1lla s VAL 445 Ca 0.05 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1lla s VAL 445 Cb -0.13 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1lla s VAL 445 CO -0.10 0.48 0.30 0.20 0.00 0.00 0.00 175.10 175.98 1lla s ASN 446 N 1.02 6.16 -0.09 3.32 -0.87 0.14 -0.61 114.94 124.01 1lla s ASN 446 Ca -0.01 0.15 0.01 0.00 -1.57 0.00 0.00 52.86 51.45 1lla s ASN 446 Cb -0.15 -2.18 0.02 0.00 -0.02 0.00 0.00 41.25 38.92 1lla s ASN 446 CO -0.01 -0.14 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.57 1lla s VAL 447 N 1.95 1.18 -0.26 1.60 1.01 -0.26 -0.21 120.40 125.41 1lla s VAL 447 Ca 0.12 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 1lla s VAL 447 Cb -0.16 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1lla s VAL 447 CO 0.10 0.38 0.52 -1.58 0.00 0.00 0.00 175.10 174.52 1lla s GLN 448 N 1.03 4.08 -0.55 2.72 2.00 0.00 -0.94 119.66 128.01 1lla s GLN 448 Ca -0.07 0.33 -0.13 0.00 -2.00 0.00 0.00 55.36 53.49 1lla s GLN 448 Cb -0.15 -3.64 0.14 0.00 0.80 0.00 0.00 33.01 30.16 1lla s GLN 448 CO -0.01 -0.34 0.48 1.21 -0.50 0.00 0.00 175.29 176.13 1lla s ASN 449 N 1.51 6.07 0.00 6.67 2.47 0.32 -1.00 114.94 130.98 1lla s ASN 449 Ca 0.21 -1.95 0.22 0.00 0.42 0.00 0.00 52.86 51.77 1lla s ASN 449 Cb -0.16 -2.14 1.32 0.00 -1.45 0.00 0.00 41.25 38.82 1lla s ASN 449 CO 0.09 -0.77 1.76 0.59 -3.72 0.00 0.00 177.10 175.06 1lla n ASN 450 N 4.97 0.00 -4.84 -4.21 3.02 -0.10 -0.72 115.26 113.38 1lla n ASN 450 Ca -0.09 -1.04 -0.23 0.00 -0.03 0.00 0.00 54.58 53.20 1lla n ASN 450 Cb 0.41 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.65 1lla n ASN 450 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1lla s SER 451 N -1.83 4.81 -0.10 6.41 1.04 -1.26 -4.98 113.70 117.80 1lla s SER 451 Ca 0.33 -0.07 0.10 0.00 0.48 0.00 0.00 55.95 56.79 1lla s SER 451 Cb 0.15 -0.57 0.45 0.00 0.10 0.00 0.00 66.02 66.16 1lla s SER 451 CO 0.25 -1.52 1.26 0.00 0.98 0.00 0.00 173.24 174.22 1lla n ALA 452 N -2.64 3.05 -2.14 5.32 0.00 -1.26 -4.55 120.51 118.28 1lla n ALA 452 Ca 0.11 -1.02 -0.09 0.00 0.00 0.00 0.00 53.44 52.44 1lla n ALA 452 Cb 0.60 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 1lla n ALA 452 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1lla s SER 453 N -0.62 0.56 0.03 0.00 0.01 -1.26 -4.92 113.70 107.49 1lla s SER 453 Ca 0.31 -1.12 -0.30 0.00 1.31 0.00 0.00 55.95 56.15 1lla s SER 453 Cb 0.22 0.22 -0.06 0.00 0.21 0.00 0.00 66.02 66.61 1lla s SER 453 CO 0.13 -0.64 1.40 -1.81 0.41 0.00 0.00 173.24 172.72 1lla s ASP 454 N -3.02 6.85 0.20 2.44 1.11 -1.26 -3.96 116.67 119.02 1lla s ASP 454 Ca 0.18 2.17 0.04 0.00 0.18 0.00 0.00 52.55 55.12 1lla s ASP 454 Cb 0.07 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.46 1lla s ASP 454 CO -0.02 -0.70 0.28 -0.54 1.18 0.00 0.00 175.17 175.37 1lla s LYS 455 N 2.07 3.31 -0.07 8.23 -0.14 0.08 -4.94 119.74 128.28 1lla s LYS 455 Ca 0.64 -0.75 0.05 0.00 -1.36 0.00 0.00 55.97 54.55 1lla s LYS 455 Cb -0.33 -2.85 -0.01 0.00 -1.68 0.00 0.00 37.83 32.97 1lla s LYS 455 CO 0.28 0.47 -0.23 -1.01 -0.76 0.00 0.00 175.35 174.09 1lla s HIS 456 N -1.88 2.50 0.03 3.18 3.76 -1.26 -0.68 115.29 120.94 1lla s HIS 456 Ca 0.34 -0.75 0.06 0.00 -0.15 0.00 0.00 55.06 54.57 1lla s HIS 456 Cb -0.10 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.93 1lla s HIS 456 CO 0.28 -0.23 -0.19 0.00 -0.85 0.00 0.00 174.74 173.74 1lla s ALA 457 N -0.07 1.60 -0.15 -1.40 0.00 -0.36 -1.89 121.76 119.49 1lla s ALA 457 Ca -0.06 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 1lla s ALA 457 Cb -0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1lla s ALA 457 CO 0.05 0.36 0.46 0.99 0.00 0.00 0.00 175.76 177.61 1lla s THR 458 N -0.70 5.18 -0.20 0.00 2.01 -0.27 -1.08 115.64 120.58 1lla s THR 458 Ca 0.06 0.87 -0.15 0.00 0.31 0.00 0.00 61.69 62.79 1lla s THR 458 Cb -0.08 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1lla s THR 458 CO 0.01 0.29 0.37 -0.69 -0.69 0.00 0.00 174.62 173.91 1lla s VAL 459 N 0.95 5.22 -0.18 3.82 1.01 0.14 -1.11 120.40 130.26 1lla s VAL 459 Ca 0.23 0.66 -0.00 0.00 0.00 0.00 0.00 61.98 62.87 1lla s VAL 459 Cb -0.15 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1lla s VAL 459 CO 0.09 0.27 -0.15 -0.13 0.00 0.00 0.00 175.10 175.19 1lla s ARG 460 N 1.20 3.17 -0.09 2.72 0.52 -0.21 -1.86 118.95 124.40 1lla s ARG 460 Ca 0.18 -0.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.68 1lla s ARG 460 Cb -0.14 -2.69 -0.00 0.00 0.52 0.00 0.00 34.95 32.63 1lla s ARG 460 CO 0.07 -0.12 -0.24 0.42 0.02 0.00 0.00 175.30 175.46 1lla s ILE 461 N 1.14 2.02 0.13 1.52 1.01 0.12 -1.36 121.20 125.78 1lla s ILE 461 Ca 0.01 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.70 1lla s ILE 461 Cb -0.14 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1lla s ILE 461 CO -0.05 0.55 -0.10 -0.36 0.00 0.00 0.00 174.94 174.98 1lla s PHE 462 N 0.28 1.21 -0.04 3.97 0.40 0.11 -0.59 117.98 123.31 1lla s PHE 462 Ca -0.16 -0.74 0.04 0.00 -0.60 0.00 0.00 56.93 55.46 1lla s PHE 462 Cb -0.17 -0.63 -0.00 0.00 0.51 0.00 0.00 43.02 42.73 1lla s PHE 462 CO 0.08 0.06 -0.16 -1.17 0.70 0.00 0.00 175.22 174.73 1lla s LEU 463 N -3.00 1.87 -0.03 -0.37 2.96 -0.53 -0.82 118.68 118.75 1lla s LEU 463 Ca 0.14 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.71 1lla s LEU 463 Cb 0.01 -0.90 0.02 0.00 0.50 0.00 0.00 46.19 45.82 1lla s LEU 463 CO 0.00 0.13 0.08 0.00 -1.32 0.00 0.00 176.35 175.24 1lla s ALA 464 N 0.14 -0.13 0.56 5.97 0.00 -0.42 -1.01 121.76 126.86 1lla s ALA 464 Ca -0.05 0.35 -0.20 0.00 0.00 0.00 0.00 51.96 52.06 1lla s ALA 464 Cb -0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1lla s ALA 464 CO 0.02 -0.08 1.24 -1.25 0.00 0.00 0.00 175.76 175.69 1lla s PRO 465 N 0.60 3.14 -0.06 0.00 0.04 -1.26 -0.27 135.00 137.19 1lla s PRO 465 Ca -0.05 1.93 -0.05 0.00 0.04 0.00 0.00 61.00 62.88 1lla s PRO 465 Cb -0.07 -2.10 -0.28 0.00 0.04 0.00 0.00 34.50 32.10 1lla s PRO 465 CO -0.02 -1.10 0.59 -0.22 0.04 0.00 0.00 177.00 176.29 1lla h LYS 466 N 1.23 0.27 -5.35 4.56 3.64 -1.79 -3.43 116.57 115.70 1lla h LYS 466 Ca -0.50 -0.47 -0.40 0.00 -1.27 0.00 0.00 60.65 58.01 1lla h LYS 466 Cb 1.29 0.17 -0.16 0.00 -0.41 0.00 0.00 32.23 33.12 1lla h LYS 466 CO 0.56 1.15 -0.74 0.71 -2.27 0.00 0.00 179.45 178.86 1lla s TYR 467 N -2.58 1.44 0.46 1.91 2.02 -1.26 -1.86 117.35 117.48 1lla s TYR 467 Ca -0.16 -0.62 -0.05 0.00 -0.37 0.00 0.00 57.07 55.87 1lla s TYR 467 Cb 0.06 -0.72 0.10 0.00 -0.40 0.00 0.00 41.96 41.00 1lla s TYR 467 CO 0.82 0.18 0.63 -0.40 -1.57 0.00 0.00 175.55 175.21 1lla n ASP 468 N 0.11 0.30 0.30 2.29 5.68 0.73 -4.83 116.55 121.13 1lla n ASP 468 Ca -0.12 -1.38 0.19 0.00 -0.50 0.00 0.00 54.79 52.97 1lla n ASP 468 Cb 0.59 -0.46 0.93 0.00 -1.14 0.00 0.00 41.12 41.04 1lla n ASP 468 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1lla h GLU 469 N 0.00 0.00 -0.65 0.11 9.09 -1.88 -1.44 114.58 119.81 1lla h GLU 469 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.20 1lla h GLU 469 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.73 1lla h GLU 469 CO 0.17 0.02 0.00 1.28 0.05 0.00 0.00 179.01 180.53 1lla n LEU 470 N -3.20 4.29 0.00 3.06 4.77 -1.26 -4.97 117.00 119.69 1lla n LEU 470 Ca -0.01 -2.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 1lla n LEU 470 Cb 0.19 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1lla n LEU 470 CO 0.25 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1lla n GLY 471 N 1.17 0.75 3.82 -0.72 0.00 -0.54 -5.03 105.19 104.64 1lla n GLY 471 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1lla n GLY 471 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lla s ASN 472 N -2.83 6.89 -0.03 1.61 0.01 -1.26 -4.74 114.94 114.58 1lla s ASN 472 Ca 0.00 1.72 -0.30 0.00 -0.71 0.00 0.00 52.86 53.57 1lla s ASN 472 Cb 0.00 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 1lla s ASN 472 CO 0.00 -0.40 1.08 -0.70 -1.51 0.00 0.00 177.10 175.57 1lla s GLU 473 N -3.15 4.45 -0.15 -0.60 2.12 -1.26 -0.19 118.70 119.91 1lla s GLU 473 Ca 0.62 1.53 -0.29 0.00 0.36 0.00 0.00 54.97 57.19 1lla s GLU 473 Cb -0.10 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 1lla s GLU 473 CO 0.14 -0.25 1.21 0.42 -0.54 0.00 0.00 175.26 176.24 1lla s ILE 474 N 1.58 4.35 0.81 -3.70 1.01 -0.77 -4.90 121.20 119.57 1lla s ILE 474 Ca 0.53 1.64 -0.11 0.00 0.00 0.00 0.00 60.65 62.70 1lla s ILE 474 Cb -0.23 -4.05 0.08 0.00 0.01 0.00 0.00 42.46 38.27 1lla s ILE 474 CO 0.24 -0.11 1.09 -0.54 0.00 0.00 0.00 174.94 175.62 1lla s LYS 475 N 3.16 1.98 0.15 2.79 -0.14 -1.26 -4.85 119.74 121.57 1lla s LYS 475 Ca 0.53 0.74 -0.16 0.00 -1.36 0.00 0.00 55.97 55.72 1lla s LYS 475 Cb -0.21 -1.90 0.02 0.00 -1.68 0.00 0.00 37.83 34.06 1lla s LYS 475 CO 0.15 -1.72 1.81 0.00 -0.76 0.00 0.00 175.35 174.83 1lla h ALA 476 N -1.17 0.50 0.00 5.17 0.00 -0.94 -1.27 119.26 121.55 1lla h ALA 476 Ca -0.47 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1lla h ALA 476 Cb 1.26 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1lla h ALA 476 CO 0.57 -0.07 -0.17 0.22 0.00 0.00 0.00 179.25 179.81 1lla h ASP 477 N 0.51 0.00 1.88 0.00 3.58 -1.77 -2.47 116.42 118.14 1lla h ASP 477 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1lla h ASP 477 Cb -0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1lla h ASP 477 CO -0.05 0.17 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.06 1lla h GLU 478 N 0.00 0.00 0.00 0.28 5.08 -1.61 -3.13 114.58 115.20 1lla h GLU 478 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lla h GLU 478 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1lla h GLU 478 CO 0.02 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 177.96 1lla h LEU 479 N 0.00 0.00 -2.23 1.33 3.38 -1.26 -2.02 115.31 114.52 1lla h LEU 479 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1lla h LEU 479 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1lla h LEU 479 CO 0.00 0.00 0.17 0.03 0.09 0.00 0.00 178.44 178.73 1lla h ARG 480 N 0.00 0.00 0.00 1.13 3.08 -1.61 0.31 114.38 117.30 1lla h ARG 480 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1lla h ARG 480 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1lla h ARG 480 CO 0.00 0.00 -1.57 0.54 -1.07 0.00 0.00 179.97 177.87 1lla n ARG 481 N -3.92 0.64 0.00 0.04 5.12 -0.76 -4.53 116.66 113.24 1lla n ARG 481 Ca 0.01 0.03 0.05 0.00 -1.93 0.00 0.00 57.85 56.02 1lla n ARG 481 Cb 0.29 -1.69 0.03 0.00 -1.16 0.00 0.00 32.46 29.92 1lla n ARG 481 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1lla n THR 482 N -2.61 0.00 -2.32 0.55 -2.24 -0.99 -4.11 114.28 102.56 1lla n THR 482 Ca -0.07 -0.47 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 1lla n THR 482 Cb 0.70 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 70.09 1lla n THR 482 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lla s ALA 483 N -1.00 3.62 -0.12 6.98 0.00 0.11 -4.63 121.76 126.71 1lla s ALA 483 Ca 0.11 0.63 -0.06 0.00 0.00 0.00 0.00 51.96 52.64 1lla s ALA 483 Cb 0.08 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1lla s ALA 483 CO 0.16 -1.12 0.09 0.96 0.00 0.00 0.00 175.76 175.85 1lla s ILE 484 N 3.26 5.07 -0.01 0.00 -4.36 -0.18 -4.88 121.20 120.10 1lla s ILE 484 Ca 0.60 0.05 -0.30 0.00 -0.26 0.00 0.00 60.65 60.73 1lla s ILE 484 Cb -0.26 -3.20 -0.03 0.00 1.25 0.00 0.00 42.46 40.22 1lla s ILE 484 CO 0.20 0.59 1.00 -0.70 0.24 0.00 0.00 174.94 176.28 1lla s GLU 485 N -0.80 4.53 -0.15 0.37 2.12 -1.26 -1.45 118.70 122.05 1lla s GLU 485 Ca 0.13 1.44 0.17 0.00 0.36 0.00 0.00 54.97 57.07 1lla s GLU 485 Cb -0.12 -3.47 -0.24 0.00 0.26 0.00 0.00 34.13 30.57 1lla s GLU 485 CO 0.03 -0.11 0.12 1.28 -0.54 0.00 0.00 175.26 176.04 1lla n LEU 486 N 4.09 0.00 -3.54 2.70 4.77 0.24 -4.92 117.00 120.34 1lla n LEU 486 Ca 0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 1lla n LEU 486 Cb 0.50 0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.93 1lla n LEU 486 CO 0.52 0.37 0.76 -0.62 -1.33 0.00 0.00 177.39 177.09 1lla s ASP 487 N -5.06 -0.34 -0.17 -1.43 -1.08 -1.07 -4.30 116.67 103.22 1lla s ASP 487 Ca -0.09 0.13 -0.06 0.00 -0.52 0.00 0.00 52.55 52.01 1lla s ASP 487 Cb 0.07 0.33 0.08 0.00 -1.46 0.00 0.00 42.92 41.93 1lla s ASP 487 CO 0.75 -0.48 0.36 -0.75 0.52 0.00 0.00 175.17 175.57 1lla s LYS 488 N -2.39 0.27 0.02 4.34 2.20 -1.26 -0.71 119.74 122.22 1lla s LYS 488 Ca 0.03 0.90 -0.22 0.00 -0.36 0.00 0.00 55.97 56.32 1lla s LYS 488 Cb -0.01 0.16 0.05 0.00 -1.51 0.00 0.00 37.83 36.52 1lla s LYS 488 CO -0.05 -0.25 0.50 -0.59 -0.36 0.00 0.00 175.35 174.61 1lla s PHE 489 N 2.35 -0.41 0.20 4.03 -0.71 -0.78 -4.61 117.98 118.05 1lla s PHE 489 Ca -0.02 0.54 -0.29 0.00 -1.04 0.00 0.00 56.93 56.12 1lla s PHE 489 Cb -0.11 0.30 -0.08 0.00 -1.21 0.00 0.00 43.02 41.91 1lla s PHE 489 CO -0.11 -0.58 0.91 0.21 -1.34 0.00 0.00 175.22 174.30 1lla s LYS 490 N -2.00 4.77 0.07 1.99 2.20 -1.26 -0.68 119.74 124.83 1lla s LYS 490 Ca -0.08 1.41 0.01 0.00 -0.36 0.00 0.00 55.97 56.94 1lla s LYS 490 Cb -0.01 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1lla s LYS 490 CO 0.02 0.48 -0.05 -0.08 -0.36 0.00 0.00 175.35 175.35 1lla s THR 491 N -0.96 0.46 -0.02 3.43 -1.32 -0.24 -4.94 115.64 112.05 1lla s THR 491 Ca 0.41 -1.72 -0.00 0.00 -1.21 0.00 0.00 61.69 59.17 1lla s THR 491 Cb -0.25 -1.39 -0.04 0.00 -1.51 0.00 0.00 72.50 69.31 1lla s THR 491 CO 0.30 -0.84 0.05 -1.81 -2.21 0.00 0.00 174.62 170.11 1lla s ASP 492 N -2.71 5.47 -0.15 8.08 1.01 -1.26 -1.22 116.67 125.88 1lla s ASP 492 Ca 0.05 0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.43 1lla s ASP 492 Cb 0.03 -1.53 0.02 0.00 1.01 0.00 0.00 42.92 42.45 1lla s ASP 492 CO -0.06 0.30 -0.13 -0.76 0.21 0.00 0.00 175.17 174.72 1lla s LEU 493 N -1.53 1.72 0.47 1.23 1.43 0.14 -4.98 118.68 117.16 1lla s LEU 493 Ca 0.20 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 1lla s LEU 493 Cb -0.12 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1lla s LEU 493 CO 0.11 -0.07 0.77 -1.00 0.23 0.00 0.00 176.35 176.39 1lla s HIS 494 N 1.49 3.55 0.52 0.29 3.76 -1.26 -0.74 115.29 122.89 1lla s HIS 494 Ca 0.04 0.78 -0.23 0.00 -0.15 0.00 0.00 55.06 55.50 1lla s HIS 494 Cb -0.13 -2.28 -0.06 0.00 1.11 0.00 0.00 32.58 31.21 1lla s HIS 494 CO -0.10 -0.26 1.34 -2.30 -0.85 0.00 0.00 174.74 172.56 1lla n PRO 495 N -2.24 1.78 0.00 8.40 -0.02 -1.25 -4.56 135.00 137.10 1lla n PRO 495 Ca 0.00 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1lla n PRO 495 Cb 0.55 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1lla n PRO 495 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lla n GLY 496 N 0.77 -0.16 3.83 -1.23 0.00 0.10 -4.91 105.19 103.58 1lla n GLY 496 Ca 0.09 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 1lla n GLY 496 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lla s LYS 497 N 0.00 4.10 0.02 1.61 1.02 -1.26 -0.52 119.74 124.70 1lla s LYS 497 Ca 0.00 0.66 0.00 0.00 0.02 0.00 0.00 55.97 56.65 1lla s LYS 497 Cb 0.00 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.39 1lla s LYS 497 CO 0.00 0.44 -0.03 -0.80 -0.92 0.00 0.00 175.35 174.04 1lla s ASN 498 N -1.69 0.22 -0.14 2.83 0.01 -0.11 -4.93 114.94 111.13 1lla s ASN 498 Ca 0.40 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 1lla s ASN 498 Cb -0.16 0.09 0.02 0.00 0.41 0.00 0.00 41.25 41.61 1lla s ASN 498 CO 0.20 -0.26 -0.12 -0.89 -1.51 0.00 0.00 177.10 174.51 1lla s THR 499 N -1.27 1.42 -0.19 1.60 2.01 -1.26 -1.10 115.64 116.85 1lla s THR 499 Ca -0.14 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 1lla s THR 499 Cb -0.09 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 1lla s THR 499 CO -0.01 0.43 0.20 -0.69 -0.69 0.00 0.00 174.62 173.86 1lla s VAL 500 N 1.53 5.37 -0.06 3.82 1.01 0.22 -4.90 120.40 127.39 1lla s VAL 500 Ca 0.05 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.43 1lla s VAL 500 Cb -0.13 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1lla s VAL 500 CO -0.10 0.41 -0.25 -0.69 0.00 0.00 0.00 175.10 174.48 1lla s VAL 501 N 0.43 2.08 -0.05 2.92 1.01 -1.26 -0.37 120.40 125.16 1lla s VAL 501 Ca 0.11 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 1lla s VAL 501 Cb -0.12 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.53 1lla s VAL 501 CO 0.01 0.57 0.15 -0.60 0.00 0.00 0.00 175.10 175.23 1lla s ARG 502 N -0.20 0.21 -0.09 2.72 6.06 -0.80 -4.97 118.95 121.88 1lla s ARG 502 Ca -0.03 0.15 -0.04 0.00 -2.50 0.00 0.00 55.73 53.31 1lla s ARG 502 Cb -0.13 0.10 -0.04 0.00 0.06 0.00 0.00 34.95 34.94 1lla s ARG 502 CO 0.03 -0.03 0.09 -1.01 -2.50 0.00 0.00 175.30 171.88 1lla s HIS 503 N -0.07 3.42 0.41 5.12 3.76 -1.26 -0.69 115.29 125.97 1lla s HIS 503 Ca -0.02 0.38 0.16 0.00 -0.15 0.00 0.00 55.06 55.44 1lla s HIS 503 Cb -0.02 -1.87 1.05 0.00 1.11 0.00 0.00 32.58 32.86 1lla s HIS 503 CO 0.00 0.63 1.84 0.66 -0.85 0.00 0.00 174.74 177.02 1lla h SER 504 N 4.93 0.45 0.20 1.40 4.64 -1.54 -0.11 113.55 123.52 1lla h SER 504 Ca -0.53 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1lla h SER 504 Cb 1.21 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1lla h SER 504 CO 0.57 0.17 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.59 1lla h LEU 505 N 0.44 0.00 -1.93 5.97 4.07 -1.95 -2.04 115.31 119.87 1lla h LEU 505 Ca 0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.45 1lla h LEU 505 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1lla h LEU 505 CO -0.20 0.04 0.00 0.47 -1.08 0.00 0.00 178.44 177.67 1lla n ASP 506 N -3.54 2.83 -4.54 -0.43 8.00 -0.05 -4.92 116.55 113.90 1lla n ASP 506 Ca -0.02 -2.06 -0.51 0.00 0.71 0.00 0.00 54.79 52.91 1lla n ASP 506 Cb 0.15 -0.36 -0.05 0.00 -0.02 0.00 0.00 41.12 40.84 1lla n ASP 506 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1lla n SER 507 N 0.92 0.83 0.00 -2.24 2.88 -0.77 -4.88 113.62 110.36 1lla n SER 507 Ca 0.17 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 58.98 1lla n SER 507 Cb 0.47 -1.13 0.76 0.00 -0.75 0.00 0.00 64.21 63.55 1lla n SER 507 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1lla n SER 508 N 1.97 0.00 0.00 -3.46 3.41 -1.26 -2.78 113.62 111.49 1lla n SER 508 Ca 0.17 -0.66 0.10 0.00 -0.26 0.00 0.00 58.87 58.21 1lla n SER 508 Cb 0.21 -0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 64.01 1lla n SER 508 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1lla n VAL 509 N -1.06 0.01 -4.21 -3.33 0.24 -1.26 -1.34 118.33 107.37 1lla n VAL 509 Ca 0.18 -0.05 -0.31 0.00 -2.04 0.00 0.00 64.34 62.13 1lla n VAL 509 Cb 0.12 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.23 1lla n VAL 509 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1lla s THR 510 N -3.05 3.83 -0.21 3.34 -4.23 -1.12 -1.22 115.64 112.98 1lla s THR 510 Ca 0.07 -0.99 -0.29 0.00 -1.18 0.00 0.00 61.69 59.30 1lla s THR 510 Cb 0.16 -2.78 -0.00 0.00 1.34 0.00 0.00 72.50 71.21 1lla s THR 510 CO 0.86 0.18 1.18 -0.22 -0.54 0.00 0.00 174.62 176.08 1lla s LEU 511 N -2.10 4.11 0.23 4.79 2.96 0.27 -4.01 118.68 124.94 1lla s LEU 511 Ca 0.23 1.50 -0.01 0.00 -0.22 0.00 0.00 54.13 55.63 1lla s LEU 511 Cb -0.11 -3.54 0.23 0.00 0.50 0.00 0.00 46.19 43.26 1lla s LEU 511 CO 0.15 -0.77 1.59 0.28 -1.32 0.00 0.00 176.35 176.28 1lla h SER 512 N 8.04 0.56 -3.27 3.68 0.02 -1.89 -3.35 113.55 117.34 1lla h SER 512 Ca -0.23 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.36 1lla h SER 512 Cb 1.09 -0.16 -0.25 0.00 0.14 0.00 0.00 62.40 63.21 1lla h SER 512 CO 0.98 0.92 -0.24 -2.28 -1.14 0.00 0.00 176.83 175.07 1lla s HIS 513 N -4.20 -0.65 -0.32 3.45 5.65 -1.26 -5.01 115.29 112.94 1lla s HIS 513 Ca -0.07 1.39 -0.01 0.00 0.25 0.00 0.00 55.06 56.62 1lla s HIS 513 Cb 0.12 0.30 0.06 0.00 -1.18 0.00 0.00 32.58 31.89 1lla s HIS 513 CO 0.82 -0.36 0.03 -1.14 -0.65 0.00 0.00 174.74 173.45 1lla s GLN 514 N 1.30 2.28 0.26 2.88 2.00 -1.26 -5.03 119.66 122.08 1lla s GLN 514 Ca -0.09 -1.41 -0.30 0.00 -2.00 0.00 0.00 55.36 51.57 1lla s GLN 514 Cb -0.07 -3.23 -0.10 0.00 0.80 0.00 0.00 33.01 30.40 1lla s GLN 514 CO -0.12 -0.72 1.40 -1.25 -0.50 0.00 0.00 175.29 174.10 1lla s PRO 515 N 1.20 4.30 1.04 1.67 0.04 -1.26 -5.02 135.00 136.96 1lla s PRO 515 Ca -0.02 2.25 -0.13 0.00 0.04 0.00 0.00 61.00 63.15 1lla s PRO 515 Cb -0.20 -3.11 0.21 0.00 0.04 0.00 0.00 34.50 31.43 1lla s PRO 515 CO -0.02 -0.36 1.09 0.95 0.04 0.00 0.00 177.00 178.69 1lla s THR 516 N -0.18 1.99 0.24 1.26 -4.23 -1.26 -4.44 115.64 109.02 1lla s THR 516 Ca 0.57 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.03 1lla s THR 516 Cb -0.41 -2.44 0.22 0.00 1.34 0.00 0.00 72.50 71.21 1lla s THR 516 CO 0.44 0.00 1.70 -0.26 -0.54 0.00 0.00 174.62 175.96 1lla h PHE 517 N -2.05 0.32 -0.59 3.99 0.04 -1.95 -2.05 116.94 114.65 1lla h PHE 517 Ca -0.56 0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.17 1lla h PHE 517 Cb 1.33 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.43 1lla h PHE 517 CO 0.19 -0.04 0.04 1.49 -0.60 0.00 0.00 178.31 179.38 1lla h GLU 518 N 0.31 1.02 -0.30 1.51 4.57 -1.99 -0.70 114.58 119.00 1lla h GLU 518 Ca 0.40 -0.30 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 1lla h GLU 518 Cb 0.66 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.09 1lla h GLU 518 CO -0.47 0.99 -0.05 -0.44 -1.18 0.00 0.00 179.01 177.86 1lla h ASP 519 N 0.92 -0.23 0.35 1.04 3.32 -1.81 -1.44 116.42 118.57 1lla h ASP 519 Ca 0.17 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.17 1lla h ASP 519 Cb 0.50 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1lla h ASP 519 CO 0.02 -0.08 -0.54 -0.07 -1.72 0.00 0.00 179.24 176.85 1lla h LEU 520 N 0.03 0.23 -0.37 1.55 3.38 -0.70 0.53 115.31 119.95 1lla h LEU 520 Ca 0.14 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1lla h LEU 520 Cb 0.21 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1lla h LEU 520 CO -0.29 0.73 -0.58 -0.07 0.09 0.00 0.00 178.44 178.32 1lla h LEU 521 N 0.16 0.83 0.00 1.67 3.38 -0.84 -3.43 115.31 117.07 1lla h LEU 521 Ca 0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1lla h LEU 521 Cb 1.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1lla h LEU 521 CO 0.08 1.22 0.00 1.41 0.09 0.00 0.00 178.44 181.25 1lla n HIS 522 N -3.97 0.00 -1.70 1.13 8.25 -0.57 -4.95 115.22 113.41 1lla n HIS 522 Ca -0.04 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.45 1lla n HIS 522 Cb 0.64 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.93 1lla n HIS 522 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lla n GLY 523 N 5.00 5.01 0.84 -1.41 0.00 -1.23 -4.70 105.19 108.69 1lla n GLY 523 Ca 0.00 -1.42 0.12 0.00 0.00 0.00 0.00 46.02 44.72 1lla n GLY 523 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1lla n VAL 524 N -0.98 0.21 -2.80 1.61 0.31 -0.36 -2.38 118.33 113.93 1lla n VAL 524 Ca 0.21 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.66 1lla n VAL 524 Cb 0.74 0.89 0.00 0.00 -0.91 0.00 0.00 33.84 34.57 1lla n VAL 524 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lla n GLY 525 N 1.32 5.81 0.00 2.92 0.00 0.03 -4.77 105.19 110.50 1lla n GLY 525 Ca 0.17 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.55 1lla n GLY 525 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1lla n LEU 526 N 0.20 0.00 0.00 0.99 -0.00 -1.00 -4.75 117.00 112.43 1lla n LEU 526 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 1lla n LEU 526 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1lla n LEU 526 CO 0.52 0.00 0.00 -0.24 -0.00 0.00 0.00 177.39 177.67 1lla n SER 531 N 0.00 0.00 -3.20 1.45 2.88 -1.26 -5.08 113.62 108.41 1lla n SER 531 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1lla n SER 531 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1lla n SER 531 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1lla n GLU 532 N -1.90 1.84 -0.50 -1.46 -0.58 -1.26 -1.72 120.64 115.05 1lla n GLU 532 Ca 0.00 -4.03 0.08 0.00 -0.42 0.00 0.00 57.16 52.80 1lla n GLU 532 Cb 0.00 -1.84 0.28 0.00 -0.57 0.00 0.00 31.44 29.31 1lla n GLU 532 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 1lla n TYR 533 N 0.65 1.10 -3.72 -0.32 0.18 -1.26 -4.98 117.16 108.80 1lla n TYR 533 Ca 0.27 -0.83 -0.20 0.00 1.88 0.00 0.00 57.90 59.01 1lla n TYR 533 Cb 0.49 -0.33 -0.02 0.00 -0.38 0.00 0.00 39.34 39.11 1lla n TYR 533 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1lla n SER 535 N -1.50 1.58 -4.74 0.00 7.64 -1.26 -4.98 113.62 110.36 1lla n SER 535 Ca -0.04 -1.29 -0.41 0.00 1.01 0.00 0.00 58.87 58.14 1lla n SER 535 Cb 0.58 0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 64.01 1lla n SER 535 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lla n GLY 537 N 2.33 3.03 3.77 0.00 0.00 -1.26 -4.71 105.19 108.34 1lla n GLY 537 Ca 0.07 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 1lla n GLY 537 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1lla s TRP 538 N -2.00 2.91 0.19 1.61 -0.11 -0.36 -4.27 118.94 116.90 1lla s TRP 538 Ca 0.00 1.49 -0.31 0.00 1.22 0.00 0.00 56.10 58.50 1lla s TRP 538 Cb 0.00 -3.53 -0.10 0.00 -1.50 0.00 0.00 33.47 28.35 1lla s TRP 538 CO 0.00 -1.73 1.49 -1.25 -4.62 0.00 0.00 176.95 170.84 1lla s PRO 539 N -2.34 4.25 0.31 5.86 0.04 -1.26 -0.56 135.00 141.30 1lla s PRO 539 Ca 0.58 2.29 0.08 0.00 0.04 0.00 0.00 61.00 64.00 1lla s PRO 539 Cb -0.34 -3.15 0.88 0.00 0.04 0.00 0.00 34.50 31.92 1lla s PRO 539 CO 0.43 -0.51 1.69 0.77 0.04 0.00 0.00 177.00 179.42 1lla h SER 540 N 6.16 0.44 0.68 6.66 0.02 -1.93 -0.76 113.55 124.81 1lla h SER 540 Ca -0.44 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1lla h SER 540 Cb 1.21 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1lla h SER 540 CO 0.86 -0.03 0.00 0.00 -1.14 0.00 0.00 176.83 176.51 1lla n HIS 541 N -5.03 0.19 -1.37 3.45 1.44 -1.26 -2.71 115.22 109.93 1lla n HIS 541 Ca 0.26 0.07 -0.01 0.00 -2.01 0.00 0.00 57.72 56.03 1lla n HIS 541 Cb 0.78 -0.61 0.21 0.00 0.12 0.00 0.00 29.99 30.48 1lla n HIS 541 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1lla n LEU 542 N -1.67 3.95 -0.22 2.39 4.77 -0.29 -3.70 117.00 122.23 1lla n LEU 542 Ca 0.04 -3.64 -0.06 0.00 -0.03 0.00 0.00 56.01 52.32 1lla n LEU 542 Cb 0.22 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1lla n LEU 542 CO 0.18 1.16 1.08 0.25 -1.33 0.00 0.00 177.39 178.72 1lla h LEU 543 N 1.08 0.76 -9.09 2.23 5.85 -1.55 -3.43 115.31 111.16 1lla h LEU 543 Ca 0.17 -0.08 -0.63 0.00 0.84 0.00 0.00 57.88 58.18 1lla h LEU 543 Cb 1.57 -0.19 -0.17 0.00 0.37 0.00 0.00 40.66 42.24 1lla h LEU 543 CO 0.33 0.62 -0.80 0.68 -0.34 0.00 0.00 178.44 178.93 1lla s VAL 544 N -5.90 2.36 1.02 1.05 -7.23 -1.26 -4.98 120.40 105.46 1lla s VAL 544 Ca -0.13 -2.17 -0.12 0.00 -1.81 0.00 0.00 61.98 57.75 1lla s VAL 544 Cb 0.13 -2.17 0.17 0.00 0.56 0.00 0.00 36.38 35.07 1lla s VAL 544 CO 0.77 -0.24 0.89 -2.65 -0.31 0.00 0.00 175.10 173.56 1lla n PRO 545 N -0.07 -1.15 -0.17 4.82 -0.02 -1.26 -4.93 135.00 132.21 1lla n PRO 545 Ca -0.10 -0.29 -0.04 0.00 -2.02 0.00 0.00 63.50 61.05 1lla n PRO 545 Cb 0.58 -2.17 0.15 0.00 -0.02 0.00 0.00 33.50 32.04 1lla n PRO 545 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1lla h LYS 546 N -2.11 0.92 0.00 -0.52 3.64 -1.93 -3.48 116.57 113.09 1lla h LYS 546 Ca -0.50 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 1lla h LYS 546 Cb 1.30 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1lla h LYS 546 CO 0.42 0.82 0.00 0.41 -2.27 0.00 0.00 179.45 178.83 1lla n GLY 547 N -0.82 0.69 3.71 5.01 0.00 -1.26 -4.00 105.19 108.52 1lla n GLY 547 Ca 0.04 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 1lla n GLY 547 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lla s ASN 548 N -4.00 0.04 0.33 1.61 2.20 -1.22 -4.58 114.94 109.33 1lla s ASN 548 Ca 0.00 -0.98 0.01 0.00 -0.94 0.00 0.00 52.86 50.95 1lla s ASN 548 Cb 0.00 0.71 0.59 0.00 -2.00 0.00 0.00 41.25 40.55 1lla s ASN 548 CO 0.00 -1.37 1.98 0.16 -2.94 0.00 0.00 177.10 174.93 1lla h ILE 549 N 2.09 1.15 0.00 0.54 3.07 -1.90 -0.41 117.51 122.05 1lla h ILE 549 Ca -0.26 -0.32 -0.05 0.00 1.55 0.00 0.00 64.86 65.77 1lla h ILE 549 Cb 1.25 0.13 -0.01 0.00 -0.27 0.00 0.00 36.82 37.92 1lla h ILE 549 CO 0.34 0.17 -0.26 0.11 -1.05 0.00 0.00 178.15 177.46 1lla h LYS 550 N 0.94 0.00 0.00 0.16 1.79 -1.92 -3.43 116.57 114.11 1lla h LYS 550 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1lla h LYS 550 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1lla h LYS 550 CO -0.07 0.26 0.00 0.41 -1.08 0.00 0.00 179.45 178.97 1lla n GLY 551 N -0.75 0.46 3.76 3.86 0.00 -0.34 -4.97 105.19 107.22 1lla n GLY 551 Ca -0.02 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 1lla n GLY 551 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lla s MET 552 N -0.35 4.12 0.01 1.61 1.75 0.40 -4.78 119.30 122.07 1lla s MET 552 Ca 0.00 0.15 -0.28 0.00 -1.25 0.00 0.00 55.69 54.32 1lla s MET 552 Cb 0.00 -3.36 -0.04 0.00 2.84 0.00 0.00 34.83 34.26 1lla s MET 552 CO 0.00 0.37 0.88 -1.21 -0.65 0.00 0.00 175.02 174.41 1lla s GLU 553 N 0.04 4.55 0.03 4.11 2.02 -1.26 -0.41 118.70 127.79 1lla s GLU 553 Ca 0.18 1.25 0.05 0.00 0.02 0.00 0.00 54.97 56.47 1lla s GLU 553 Cb -0.14 -3.42 -0.02 0.00 0.10 0.00 0.00 34.13 30.65 1lla s GLU 553 CO 0.06 0.08 -0.14 0.71 0.02 0.00 0.00 175.26 176.00 1lla s TYR 554 N 0.59 1.21 -0.14 1.61 1.51 -0.18 -2.19 117.35 119.76 1lla s TYR 554 Ca 0.46 -0.34 -0.29 0.00 -1.01 0.00 0.00 57.07 55.88 1lla s TYR 554 Cb -0.21 -0.73 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 1lla s TYR 554 CO 0.25 0.03 1.14 -1.01 -1.11 0.00 0.00 175.55 174.85 1lla s HIS 555 N -0.78 3.19 -0.32 2.71 3.76 0.63 -0.99 115.29 123.49 1lla s HIS 555 Ca 0.02 1.29 -0.17 0.00 -0.15 0.00 0.00 55.06 56.05 1lla s HIS 555 Cb -0.07 -3.36 -0.02 0.00 1.11 0.00 0.00 32.58 30.24 1lla s HIS 555 CO 0.01 -1.01 0.48 -1.17 -0.85 0.00 0.00 174.74 172.19 1lla s LEU 556 N 2.79 4.24 -0.14 0.89 2.96 0.35 -1.30 118.68 128.48 1lla s LEU 556 Ca 0.51 0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 54.53 1lla s LEU 556 Cb -0.20 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 1lla s LEU 556 CO 0.15 -0.38 -0.08 0.12 -1.32 0.00 0.00 176.35 174.85 1lla s PHE 557 N 2.29 2.93 -0.04 5.38 2.19 -0.00 -0.76 117.98 129.96 1lla s PHE 557 Ca 0.18 -0.40 0.04 0.00 0.33 0.00 0.00 56.93 57.09 1lla s PHE 557 Cb -0.16 -1.88 -0.00 0.00 -1.31 0.00 0.00 43.02 39.67 1lla s PHE 557 CO 0.12 -0.06 -0.17 0.08 1.83 0.00 0.00 175.22 177.01 1lla s VAL 558 N 0.22 1.42 -0.00 3.12 1.01 -0.35 -0.71 120.40 125.11 1lla s VAL 558 Ca -0.05 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1lla s VAL 558 Cb -0.14 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 1lla s VAL 558 CO 0.04 0.41 -0.08 -0.32 0.00 0.00 0.00 175.10 175.14 1lla s MET 559 N -0.01 0.67 -0.10 2.72 0.00 -0.46 -0.56 119.30 121.55 1lla s MET 559 Ca -0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 55.69 55.35 1lla s MET 559 Cb -0.11 -0.64 -0.02 0.00 0.00 0.00 0.00 34.83 34.05 1lla s MET 559 CO 0.02 0.18 -0.09 -0.51 0.00 0.00 0.00 175.02 174.62 1lla s LEU 560 N -0.23 3.02 0.30 4.11 1.02 0.56 -1.04 118.68 126.42 1lla s LEU 560 Ca 0.03 -0.15 0.09 0.00 0.02 0.00 0.00 54.13 54.13 1lla s LEU 560 Cb -0.03 -1.68 -0.06 0.00 0.02 0.00 0.00 46.19 44.44 1lla s LEU 560 CO -0.00 0.26 -0.12 0.42 0.02 0.00 0.00 176.35 176.93 1lla s THR 561 N -0.22 2.14 -0.36 5.49 -4.23 -0.27 -4.70 115.64 113.50 1lla s THR 561 Ca 0.02 -2.25 -0.29 0.00 -1.18 0.00 0.00 61.69 58.00 1lla s THR 561 Cb -0.13 -2.44 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1lla s THR 561 CO 0.03 -0.32 1.62 -0.62 -0.54 0.00 0.00 174.62 174.78 1lla s ASP 562 N -3.52 6.12 0.55 3.99 -1.08 -1.26 -1.12 116.67 120.35 1lla s ASP 562 Ca 0.30 1.11 0.24 0.00 -0.52 0.00 0.00 52.55 53.68 1lla s ASP 562 Cb 0.00 -2.53 1.56 0.00 -1.46 0.00 0.00 42.92 40.49 1lla s ASP 562 CO 0.14 -1.56 2.19 -0.25 0.52 0.00 0.00 175.17 176.21 1lla h TRP 563 N 11.78 0.00 0.00 -5.34 7.01 -1.66 -0.83 115.95 126.91 1lla h TRP 563 Ca -0.31 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.67 1lla h TRP 563 Cb 1.14 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.20 1lla h TRP 563 CO 0.96 0.02 -0.09 -0.44 -2.79 0.00 0.00 178.44 176.09 1lla h ASP 564 N 0.00 0.00 0.86 2.65 3.32 -1.90 -0.76 116.42 120.59 1lla h ASP 564 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1lla h ASP 564 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1lla h ASP 564 CO 0.00 0.09 -1.17 0.29 -1.72 0.00 0.00 179.24 176.74 1lla n LYS 565 N -3.22 0.61 0.04 3.56 5.02 -0.40 -4.42 118.16 119.35 1lla n LYS 565 Ca 0.01 0.12 -0.09 0.00 -2.02 0.00 0.00 58.31 56.33 1lla n LYS 565 Cb 0.37 -1.80 -0.13 0.00 -0.02 0.00 0.00 35.03 33.45 1lla n LYS 565 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1lla h ASP 566 N 0.00 0.06 -3.86 4.39 3.32 -0.54 -3.44 116.42 116.35 1lla h ASP 566 Ca -0.04 -0.08 -0.51 0.00 0.02 0.00 0.00 57.03 56.42 1lla h ASP 566 Cb 1.13 -0.02 0.04 0.00 0.22 0.00 0.00 39.33 40.70 1lla h ASP 566 CO 0.01 1.06 0.53 -1.59 -1.72 0.00 0.00 179.24 177.54 1lla s LYS 567 N -2.66 4.45 -0.22 3.56 -2.85 -0.37 -0.64 119.74 121.01 1lla s LYS 567 Ca -0.02 1.95 -0.17 0.00 -1.00 0.00 0.00 55.97 56.73 1lla s LYS 567 Cb 0.09 -3.06 -0.08 0.00 -2.06 0.00 0.00 37.83 32.72 1lla s LYS 567 CO 0.83 -0.01 -0.35 0.28 0.10 0.00 0.00 175.35 176.19 1lla n VAL 568 N 0.86 1.51 -3.54 1.79 0.31 -1.26 -4.78 118.33 113.22 1lla n VAL 568 Ca 0.00 -0.06 -0.26 0.00 -0.01 0.00 0.00 64.34 64.02 1lla n VAL 568 Cb 0.44 -2.18 0.04 0.00 -0.91 0.00 0.00 33.84 31.23 1lla n VAL 568 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1lla n SER 573 N -4.38 -5.33 -4.31 4.52 3.41 -1.26 -4.99 113.62 101.28 1lla n SER 573 Ca -0.29 -0.54 -0.32 0.00 -0.26 0.00 0.00 58.87 57.45 1lla n SER 573 Cb 0.66 -4.27 -0.16 0.00 -0.26 0.00 0.00 64.21 60.18 1lla n SER 573 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1lla s VAL 574 N -3.21 2.52 0.33 -3.33 1.01 -1.26 -5.05 120.40 111.40 1lla s VAL 574 Ca 0.52 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1lla s VAL 574 Cb -0.25 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1lla s VAL 574 CO 0.64 0.55 0.58 0.00 0.00 0.00 0.00 175.10 176.87 1lla s ALA 575 N 0.14 3.63 -1.16 5.51 0.00 -1.26 -4.47 121.76 124.15 1lla s ALA 575 Ca -0.10 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 1lla s ALA 575 Cb -0.16 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1lla s ALA 575 CO 0.06 0.08 0.93 0.00 0.00 0.00 0.00 175.76 176.82 1lla n VAL 577 N -3.84 1.48 -0.33 0.00 0.24 -1.26 -4.05 118.33 110.56 1lla n VAL 577 Ca -0.21 -1.40 0.06 0.00 -2.04 0.00 0.00 64.34 60.75 1lla n VAL 577 Cb 0.65 0.20 0.24 0.00 -1.47 0.00 0.00 33.84 33.46 1lla n VAL 577 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1lla h ASP 578 N 1.41 0.92 -0.72 -1.34 3.58 -1.90 -1.66 116.42 116.72 1lla h ASP 578 Ca 0.00 0.02 -0.52 0.00 0.42 0.00 0.00 57.03 56.96 1lla h ASP 578 Cb 0.94 -0.17 -0.37 0.00 1.72 0.00 0.00 39.33 41.45 1lla h ASP 578 CO 0.07 0.54 -0.51 0.00 -2.88 0.00 0.00 179.24 176.46 1lla n ALA 579 N -2.38 5.10 -0.32 -0.78 0.00 -1.26 -4.21 120.51 116.67 1lla n ALA 579 Ca 0.16 -3.68 0.14 0.00 0.00 0.00 0.00 53.44 50.06 1lla n ALA 579 Cb 0.28 -0.56 0.33 0.00 0.00 0.00 0.00 19.45 19.49 1lla n ALA 579 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1lla h VAL 580 N 1.87 0.51 -0.86 0.00 2.07 -0.46 -1.33 116.25 118.05 1lla h VAL 580 Ca 0.38 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1lla h VAL 580 Cb 1.41 -0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 1lla h VAL 580 CO 0.82 0.09 0.49 0.28 0.02 0.00 0.00 177.57 179.27 1lla h SER 581 N 0.47 0.70 0.00 0.57 0.02 -1.52 0.23 113.55 114.02 1lla h SER 581 Ca 0.58 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.56 1lla h SER 581 Cb 1.09 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 1lla h SER 581 CO -0.50 0.38 -1.87 -1.22 -1.14 0.00 0.00 176.83 172.48 1lla n TYR 582 N -4.74 0.00 0.13 3.45 4.01 -0.74 -4.63 117.16 114.65 1lla n TYR 582 Ca 0.15 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.90 1lla n TYR 582 Cb 0.31 -0.45 -0.00 0.00 -0.31 0.00 0.00 39.34 38.88 1lla n TYR 582 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1lla n GLY 584 N 0.67 -0.08 3.15 0.00 0.00 0.80 -4.91 105.19 104.81 1lla n GLY 584 Ca 0.01 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 1lla n GLY 584 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lla s ALA 585 N -1.56 1.06 0.07 4.61 0.00 -1.26 -4.21 121.76 120.46 1lla s ALA 585 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 1lla s ALA 585 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 1lla s ALA 585 CO 0.00 0.09 1.13 0.50 0.00 0.00 0.00 175.76 177.48 1lla s ARG 586 N -1.96 4.49 -1.43 0.00 3.52 -0.45 -3.59 118.95 119.53 1lla s ARG 586 Ca -0.02 1.69 -0.03 0.00 -0.13 0.00 0.00 55.73 57.24 1lla s ARG 586 Cb -0.08 -3.36 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 1lla s ARG 586 CO 0.02 -0.14 0.56 -3.47 -0.81 0.00 0.00 175.30 171.45 1lla n ASP 587 N 3.60 -1.16 -3.55 -2.12 2.03 -1.26 -4.50 116.55 109.59 1lla n ASP 587 Ca 0.07 -0.95 -0.17 0.00 0.52 0.00 0.00 54.79 54.26 1lla n ASP 587 Cb 0.47 -3.28 -0.06 0.00 -0.72 0.00 0.00 41.12 37.53 1lla n ASP 587 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1lla s HIS 588 N -3.78 -0.70 0.51 -0.67 2.46 -1.24 -5.08 115.29 106.79 1lla s HIS 588 Ca 0.14 1.37 -0.22 0.00 0.47 0.00 0.00 55.06 56.82 1lla s HIS 588 Cb -0.07 0.37 -0.06 0.00 -0.13 0.00 0.00 32.58 32.69 1lla s HIS 588 CO 0.87 -0.54 1.24 0.15 -2.47 0.00 0.00 174.74 174.00 1lla s LYS 589 N -0.72 3.45 -0.15 2.88 1.02 -1.26 -4.54 119.74 120.42 1lla s LYS 589 Ca -0.08 1.95 -0.34 0.00 0.02 0.00 0.00 55.97 57.53 1lla s LYS 589 Cb -0.02 -2.30 -0.11 0.00 -0.52 0.00 0.00 37.83 34.88 1lla s LYS 589 CO 0.07 -0.86 1.96 0.98 -0.92 0.00 0.00 175.35 176.59 1lla n TYR 590 N -0.80 2.17 -0.40 3.18 9.36 -1.26 -4.77 117.16 124.64 1lla n TYR 590 Ca 0.09 0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1lla n TYR 590 Cb 0.47 -2.64 0.00 0.00 -0.63 0.00 0.00 39.34 36.54 1lla n TYR 590 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1lla n PRO 591 N 7.08 0.92 -3.64 2.98 -0.04 -1.26 -4.57 135.00 136.46 1lla n PRO 591 Ca 0.26 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.68 1lla n PRO 591 Cb 0.29 -1.04 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 1lla n PRO 591 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1lla s ASP 592 N 1.96 -0.76 0.37 3.54 2.15 -1.26 -4.37 116.67 118.29 1lla s ASP 592 Ca 0.00 1.31 0.17 0.00 0.43 0.00 0.00 52.55 54.46 1lla s ASP 592 Cb 0.00 1.89 0.69 0.00 -0.30 0.00 0.00 42.92 45.20 1lla s ASP 592 CO 0.00 -0.23 1.75 0.11 -0.17 0.00 0.00 175.17 176.63 1lla h LYS 593 N 8.07 0.00 -7.06 4.34 1.57 -1.12 -3.46 116.57 118.91 1lla h LYS 593 Ca -0.17 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.06 1lla h LYS 593 Cb 1.10 0.00 0.17 0.00 0.08 0.00 0.00 32.23 33.59 1lla h LYS 593 CO 0.11 0.40 0.31 1.63 -0.57 0.00 0.00 179.45 181.33 1lla n LYS 594 N -3.67 0.67 -1.68 3.15 4.76 -1.26 -4.94 118.16 115.19 1lla n LYS 594 Ca -0.01 0.29 -0.41 0.00 -2.87 0.00 0.00 58.31 55.32 1lla n LYS 594 Cb 0.49 -2.39 0.02 0.00 -1.84 0.00 0.00 35.03 31.31 1lla n LYS 594 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1lla n PRO 595 N -2.19 1.68 -2.24 1.97 -0.02 -1.26 -4.89 135.00 128.05 1lla n PRO 595 Ca 0.14 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 1lla n PRO 595 Cb 0.49 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1lla n PRO 595 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1lla s MET 596 N -2.26 4.31 0.00 -0.52 -1.94 -1.26 -1.35 119.30 116.29 1lla s MET 596 Ca 0.64 1.96 0.00 0.00 -1.71 0.00 0.00 55.69 56.58 1lla s MET 596 Cb -0.51 -3.46 0.00 0.00 2.01 0.00 0.00 34.83 32.87 1lla s MET 596 CO 0.56 -0.50 0.00 0.41 -0.01 0.00 0.00 175.02 175.48 1lla n GLY 597 N 3.55 0.77 3.75 -0.03 0.00 -1.26 -4.82 105.19 107.14 1lla n GLY 597 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1lla n GLY 597 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1lla n PHE 598 N -2.31 2.77 0.41 1.61 -0.00 -0.46 -0.53 117.46 118.96 1lla n PHE 598 Ca 0.00 0.47 0.01 0.00 -0.00 0.00 0.00 57.45 57.93 1lla n PHE 598 Cb 0.00 -2.50 0.12 0.00 -0.00 0.00 0.00 39.48 37.10 1lla n PHE 598 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1lla n PRO 599 N 0.54 2.11 -0.27 -7.13 -0.04 -1.26 -4.95 135.00 124.00 1lla n PRO 599 Ca 0.03 -0.95 0.07 0.00 -0.04 0.00 0.00 63.50 62.60 1lla n PRO 599 Cb 0.38 -1.70 0.20 0.00 -0.04 0.00 0.00 33.50 32.34 1lla n PRO 599 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1lla n PHE 600 N 0.17 0.66 0.63 0.54 3.72 0.31 -4.57 117.46 118.92 1lla n PHE 600 Ca 0.09 -0.58 0.12 0.00 -0.05 0.00 0.00 57.45 57.03 1lla n PHE 600 Cb 0.57 -0.10 0.13 0.00 -0.94 0.00 0.00 39.48 39.15 1lla n PHE 600 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1lla n ASP 601 N 0.44 0.64 -4.68 4.37 5.75 -1.20 -4.64 116.55 117.24 1lla n ASP 601 Ca 0.15 -0.04 -0.24 0.00 -0.01 0.00 0.00 54.79 54.66 1lla n ASP 601 Cb 0.56 0.38 -0.07 0.00 -1.03 0.00 0.00 41.12 40.96 1lla n ASP 601 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1lla s ARG 602 N -3.15 2.25 0.36 0.11 0.52 -1.26 -4.81 118.95 112.96 1lla s ARG 602 Ca 0.06 -1.59 -0.28 0.00 -0.52 0.00 0.00 55.73 53.40 1lla s ARG 602 Cb 0.14 -2.09 -0.11 0.00 0.52 0.00 0.00 34.95 33.42 1lla s ARG 602 CO 0.74 0.18 1.49 -2.30 0.02 0.00 0.00 175.30 175.43 1lla n PRO 603 N -1.02 2.64 -3.79 3.54 -0.02 -1.26 -4.96 135.00 130.13 1lla n PRO 603 Ca -0.04 0.93 -0.37 0.00 -2.02 0.00 0.00 63.50 62.00 1lla n PRO 603 Cb 0.61 -2.66 -0.13 0.00 -0.02 0.00 0.00 33.50 31.31 1lla n PRO 603 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1lla s ILE 604 N -0.97 3.89 -1.17 4.25 1.01 -1.26 -4.33 121.20 122.63 1lla s ILE 604 Ca 0.55 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 60.58 1lla s ILE 604 Cb -0.48 -2.92 0.25 0.00 0.01 0.00 0.00 42.46 39.31 1lla s ILE 604 CO 0.62 0.21 1.60 1.41 0.00 0.00 0.00 174.94 178.78 1lla n HIS 605 N 4.86 2.90 -3.54 3.97 8.25 -1.26 -4.36 115.22 126.04 1lla n HIS 605 Ca -0.16 -2.81 -0.15 0.00 -0.26 0.00 0.00 57.72 54.35 1lla n HIS 605 Cb 0.49 -1.60 -0.06 0.00 1.12 0.00 0.00 29.99 29.94 1lla n HIS 605 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1lla s THR 606 N -1.24 0.00 -0.07 1.59 -1.32 -1.26 -5.09 115.64 108.25 1lla s THR 606 Ca 0.35 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.69 1lla s THR 606 Cb 0.05 -1.00 -0.30 0.00 -1.51 0.00 0.00 72.50 69.74 1lla s THR 606 CO 0.05 0.00 0.65 -0.08 -2.21 0.00 0.00 174.62 173.03 1lla h GLU 607 N 2.79 0.33 -5.74 7.08 4.81 -1.98 -3.38 114.58 118.50 1lla h GLU 607 Ca -0.23 -0.57 -0.66 0.00 -0.13 0.00 0.00 59.36 57.76 1lla h GLU 607 Cb 1.15 0.21 -0.19 0.00 0.63 0.00 0.00 28.75 30.55 1lla h GLU 607 CO 0.36 1.27 -0.67 -1.01 -0.73 0.00 0.00 179.01 178.23 1lla s HIS 608 N -2.53 3.01 0.38 0.92 3.76 -1.26 -0.47 115.29 119.10 1lla s HIS 608 Ca -0.17 -0.09 0.24 0.00 -0.15 0.00 0.00 55.06 54.88 1lla s HIS 608 Cb 0.05 -1.83 1.26 0.00 1.11 0.00 0.00 32.58 33.16 1lla s HIS 608 CO 0.82 0.19 2.01 0.97 -0.85 0.00 0.00 174.74 177.88 1lla h ILE 609 N 4.64 0.70 0.00 0.60 6.09 -1.88 -1.61 117.51 126.03 1lla h ILE 609 Ca -0.41 -0.70 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 1lla h ILE 609 Cb 1.18 1.44 0.00 0.00 0.47 0.00 0.00 36.82 39.91 1lla h ILE 609 CO 0.57 0.16 0.00 0.77 -3.07 0.00 0.00 178.15 176.59 1lla h SER 610 N 0.00 0.00 0.21 2.19 4.64 -1.99 -1.32 113.55 117.28 1lla h SER 610 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lla h SER 610 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1lla h SER 610 CO 0.02 0.00 -0.58 0.47 -0.87 0.00 0.00 176.83 175.87 1lla n ASP 611 N -2.34 1.02 0.23 4.97 8.00 -0.61 -3.54 116.55 124.29 1lla n ASP 611 Ca 0.00 -0.82 0.13 0.00 0.71 0.00 0.00 54.79 54.81 1lla n ASP 611 Cb 0.15 0.47 0.33 0.00 -0.02 0.00 0.00 41.12 42.05 1lla n ASP 611 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1lla h PHE 612 N 0.70 0.00 -3.65 1.24 3.57 -1.31 -3.47 116.94 114.01 1lla h PHE 612 Ca 0.00 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 61.00 1lla h PHE 612 Cb 0.55 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1lla h PHE 612 CO 0.00 0.06 0.32 -0.51 -2.23 0.00 0.00 178.31 175.95 1lla s LEU 613 N -6.26 4.59 0.55 0.59 1.43 -1.23 -5.03 118.68 113.33 1lla s LEU 613 Ca 0.05 1.84 0.08 0.00 -1.03 0.00 0.00 54.13 55.06 1lla s LEU 613 Cb 0.07 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.81 1lla s LEU 613 CO 0.64 0.10 0.59 0.42 0.23 0.00 0.00 176.35 178.33 1lla s THR 614 N -0.81 1.92 0.03 5.49 -4.23 -1.26 -5.02 115.64 111.75 1lla s THR 614 Ca 0.42 -1.25 0.19 0.00 -1.18 0.00 0.00 61.69 59.86 1lla s THR 614 Cb -0.25 -2.17 0.14 0.00 1.34 0.00 0.00 72.50 71.57 1lla s THR 614 CO 0.30 0.00 1.65 0.78 -0.54 0.00 0.00 174.62 176.82 1lla h ASN 615 N 0.49 0.00 -0.58 3.99 -0.26 -1.95 -2.39 115.58 114.88 1lla h ASN 615 Ca -0.34 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.17 1lla h ASN 615 Cb 1.30 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 38.42 1lla h ASN 615 CO 0.49 0.37 0.30 -0.46 -1.06 0.00 0.00 177.43 177.07 1lla n ASN 616 N -3.37 3.76 -4.21 5.81 6.94 -1.26 -1.16 115.26 121.77 1lla n ASN 616 Ca 0.01 -2.94 -0.17 0.00 -0.02 0.00 0.00 54.58 51.46 1lla n ASN 616 Cb 0.57 -0.70 -0.11 0.00 -2.36 0.00 0.00 39.78 37.18 1lla n ASN 616 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1lla s MET 617 N -2.23 0.93 -0.07 -3.83 -1.94 -0.90 -0.32 119.30 110.94 1lla s MET 617 Ca 0.38 -1.17 -0.21 0.00 -1.71 0.00 0.00 55.69 52.99 1lla s MET 617 Cb 0.31 -0.77 0.04 0.00 2.01 0.00 0.00 34.83 36.43 1lla s MET 617 CO 0.09 0.14 0.48 0.12 -0.01 0.00 0.00 175.02 175.84 1lla s PHE 618 N -2.09 -0.43 -0.14 -0.03 2.19 0.28 -4.70 117.98 113.05 1lla s PHE 618 Ca 0.06 0.83 0.02 0.00 0.33 0.00 0.00 56.93 58.17 1lla s PHE 618 Cb -0.05 0.22 0.00 0.00 -1.31 0.00 0.00 43.02 41.88 1lla s PHE 618 CO 0.02 -0.42 -0.19 0.42 1.83 0.00 0.00 175.22 176.88 1lla s ILE 619 N -0.85 2.35 -0.12 3.12 1.01 -1.26 -1.21 121.20 124.25 1lla s ILE 619 Ca -0.09 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 1lla s ILE 619 Cb -0.03 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1lla s ILE 619 CO 0.05 0.53 -0.05 -0.75 0.00 0.00 0.00 174.94 174.72 1lla s LYS 620 N 0.78 3.29 -0.17 2.79 2.47 0.06 -4.91 119.74 124.05 1lla s LYS 620 Ca -0.07 -0.53 -0.29 0.00 -1.56 0.00 0.00 55.97 53.52 1lla s LYS 620 Cb -0.16 -2.78 -0.00 0.00 -1.46 0.00 0.00 37.83 33.43 1lla s LYS 620 CO -0.00 0.42 1.05 -0.51 0.16 0.00 0.00 175.35 176.46 1lla s ASP 621 N -0.13 7.15 0.40 1.43 1.01 -1.26 -0.49 116.67 124.77 1lla s ASP 621 Ca 0.02 1.47 0.07 0.00 0.71 0.00 0.00 52.55 54.82 1lla s ASP 621 Cb -0.13 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.18 1lla s ASP 621 CO 0.03 -0.58 0.01 0.27 0.21 0.00 0.00 175.17 175.10 1lla s ILE 622 N 2.71 1.94 0.10 0.77 -4.36 -0.16 -4.95 121.20 117.25 1lla s ILE 622 Ca 0.47 -2.01 0.10 0.00 -0.26 0.00 0.00 60.65 58.95 1lla s ILE 622 Cb -0.17 -2.96 -0.04 0.00 1.25 0.00 0.00 42.46 40.55 1lla s ILE 622 CO 0.12 -0.01 -0.27 -0.54 0.24 0.00 0.00 174.94 174.48 1lla s LYS 623 N -3.72 1.55 -0.12 0.37 1.02 -1.04 -1.01 119.74 116.79 1lla s LYS 623 Ca 0.35 -1.25 0.03 0.00 0.02 0.00 0.00 55.97 55.11 1lla s LYS 623 Cb 0.09 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1lla s LYS 623 CO 0.18 0.47 -0.21 0.42 -0.92 0.00 0.00 175.35 175.29 1lla s ILE 624 N -0.96 2.27 -0.13 2.17 1.01 0.45 -1.81 121.20 124.21 1lla s ILE 624 Ca 0.13 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 1lla s ILE 624 Cb -0.10 -1.90 0.03 0.00 0.01 0.00 0.00 42.46 40.50 1lla s ILE 624 CO 0.04 0.55 -0.07 -0.75 0.00 0.00 0.00 174.94 174.71 1lla s LYS 625 N 0.51 1.50 0.19 2.79 2.20 -0.38 -0.45 119.74 126.11 1lla s LYS 625 Ca -0.13 -0.31 -0.13 0.00 -0.36 0.00 0.00 55.97 55.03 1lla s LYS 625 Cb -0.17 -1.68 -0.07 0.00 -1.51 0.00 0.00 37.83 34.40 1lla s LYS 625 CO 0.05 -0.30 0.57 0.12 -0.36 0.00 0.00 175.35 175.43 1lla s PHE 626 N 1.69 3.52 -0.18 4.03 5.36 -0.31 -1.94 117.98 130.15 1lla s PHE 626 Ca 0.04 1.02 -0.01 0.00 -0.96 0.00 0.00 56.93 57.03 1lla s PHE 626 Cb -0.13 -2.36 0.00 0.00 -0.34 0.00 0.00 43.02 40.19 1lla s PHE 626 CO -0.08 0.34 -0.13 -3.38 -1.46 0.00 0.00 175.22 170.51 1lla s HIS 627 N -1.64 2.84 -2.00 10.12 -0.00 0.31 -3.99 115.29 120.93 1lla s HIS 627 Ca 0.43 -1.14 0.30 0.00 -0.00 0.00 0.00 55.06 54.65 1lla s HIS 627 Cb -0.13 -1.97 1.80 0.00 -0.00 0.00 0.00 32.58 32.28 1lla s HIS 627 CO 0.20 -0.57 2.13 0.39 -0.00 0.00 0.00 174.74 176.89