#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kki s GLN 5 N 0.00 4.35 0.37 0.54 0.74 -1.26 -5.01 119.66 119.39 3kki s GLN 5 Ca 0.00 2.05 -0.26 0.00 0.05 0.00 0.00 55.36 57.20 3kki s GLN 5 Cb 0.00 -3.24 -0.09 0.00 1.10 0.00 0.00 33.01 30.78 3kki s GLN 5 CO 0.00 -0.37 1.11 -0.51 -0.55 0.00 0.00 175.29 174.97 3kki s LEU 6 N 0.74 4.26 0.71 3.68 1.43 -1.26 -5.03 118.68 123.22 3kki s LEU 6 Ca 0.62 2.22 -0.16 0.00 -1.03 0.00 0.00 54.13 55.78 3kki s LEU 6 Cb -0.36 -3.98 0.03 0.00 0.03 0.00 0.00 46.19 41.90 3kki s LEU 6 CO 0.32 -0.48 1.25 -0.81 0.23 0.00 0.00 176.35 176.87 3kki n PRO 7 N 0.30 0.74 -0.22 1.29 -0.04 -1.26 -4.76 135.00 131.06 3kki n PRO 7 Ca 0.03 0.32 0.01 0.00 -0.04 0.00 0.00 63.50 63.82 3kki n PRO 7 Cb 0.47 -2.49 0.13 0.00 -0.04 0.00 0.00 33.50 31.57 3kki n PRO 7 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3kki h ASP 8 N -0.04 0.21 0.17 3.54 5.19 -1.98 -1.89 116.42 121.61 3kki h ASP 8 Ca -0.49 0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 55.95 3kki h ASP 8 Cb 1.32 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.90 3kki h ASP 8 CO 0.50 0.11 -0.24 2.19 -3.12 0.00 0.00 179.24 178.69 3kki h PHE 9 N 0.40 0.14 0.01 4.55 -0.00 -1.99 0.36 116.94 120.41 3kki h PHE 9 Ca 0.33 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.97 58.25 3kki h PHE 9 Cb 0.45 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.36 3kki h PHE 9 CO -0.18 0.36 -0.14 0.82 -0.00 0.00 0.00 178.31 179.18 3kki h ILE 10 N 0.12 1.64 -0.62 0.88 2.04 -1.85 -2.97 117.51 116.75 3kki h ILE 10 Ca 0.02 -2.06 0.07 0.00 1.00 0.00 0.00 64.86 63.89 3kki h ILE 10 Cb 0.49 3.00 -0.06 0.00 -0.74 0.00 0.00 36.82 39.51 3kki h ILE 10 CO 0.03 0.55 0.30 -0.61 0.00 0.00 0.00 178.15 178.43 3kki h GLN 11 N -0.72 0.54 -0.93 2.37 5.75 -1.08 -0.98 115.11 120.06 3kki h GLN 11 Ca -0.02 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3kki h GLN 11 Cb 0.97 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.35 3kki h GLN 11 CO 0.03 0.36 0.61 -0.91 -2.65 0.00 0.00 178.83 176.26 3kki h ASN 12 N 0.56 1.03 -0.32 -0.69 4.21 -0.41 0.91 115.58 120.87 3kki h ASN 12 Ca 0.29 -0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.72 3kki h ASN 12 Cb 0.25 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 3kki h ASN 12 CO -0.22 0.72 -0.04 0.50 -1.29 0.00 0.00 177.43 177.10 3kki h LYS 13 N 1.21 0.60 -0.26 0.81 3.64 -1.18 -1.08 116.57 120.30 3kki h LYS 13 Ca 0.36 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 3kki h LYS 13 Cb -0.05 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3kki h LYS 13 CO -0.10 0.75 -0.14 0.82 -2.27 0.00 0.00 179.45 178.51 3kki h ILE 14 N 0.38 1.30 -0.28 2.00 1.08 -1.03 -0.99 117.51 119.97 3kki h ILE 14 Ca 0.09 -1.23 0.04 0.00 -0.39 0.00 0.00 64.86 63.36 3kki h ILE 14 Cb 0.51 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.77 3kki h ILE 14 CO 0.02 0.39 0.06 0.44 -0.69 0.00 0.00 178.15 178.37 3kki h ASP 15 N 0.29 0.03 -0.64 1.72 3.32 -0.82 -1.58 116.42 118.73 3kki h ASP 15 Ca 0.06 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3kki h ASP 15 Cb 0.65 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 3kki h ASP 15 CO 0.04 0.05 0.32 -0.74 -1.72 0.00 0.00 179.24 177.19 3kki h HIS 16 N 0.17 0.91 -0.02 4.55 -0.00 -1.15 -2.73 115.15 116.88 3kki h HIS 16 Ca 0.13 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 3kki h HIS 16 Cb 0.13 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 27.26 3kki h HIS 16 CO -0.16 0.68 0.01 -0.92 -0.00 0.00 0.00 177.93 177.53 3kki h TYR 17 N 0.88 0.02 -0.91 5.26 3.20 -0.87 -1.31 116.97 123.24 3kki h TYR 17 Ca 0.22 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.12 3kki h TYR 17 Cb 0.10 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 3kki h TYR 17 CO -0.00 0.15 0.59 0.82 -1.64 0.00 0.00 178.16 178.08 3kki h ILE 18 N -0.11 1.15 -0.33 1.81 2.04 -1.29 0.15 117.51 120.93 3kki h ILE 18 Ca 0.01 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3kki h ILE 18 Cb 0.14 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 3kki h ILE 18 CO -0.00 0.21 0.11 -0.33 0.00 0.00 0.00 178.15 178.14 3kki h GLU 19 N 1.15 0.51 -0.01 2.37 5.08 -1.36 -0.26 114.58 122.06 3kki h GLU 19 Ca 0.36 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3kki h GLU 19 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3kki h GLU 19 CO -0.12 0.54 -0.27 0.09 -1.00 0.00 0.00 179.01 178.26 3kki n ASN 20 N -4.67 1.26 0.00 1.42 3.02 -0.51 -3.14 115.26 112.64 3kki n ASN 20 Ca -0.02 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3kki n ASN 20 Cb 0.17 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 3kki n ASN 20 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3kki n TYR 21 N -0.44 0.00 -0.10 3.10 4.02 0.00 -4.81 117.16 118.94 3kki n TYR 21 Ca 0.12 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.82 3kki n TYR 21 Cb 0.37 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.63 3kki n TYR 21 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3kki n PHE 22 N -1.15 0.00 0.17 -0.72 3.72 -0.67 -4.19 117.46 114.62 3kki n PHE 22 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 3kki n PHE 22 Cb 0.19 -0.68 0.37 0.00 -0.94 0.00 0.00 39.48 38.43 3kki n PHE 22 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3kki h ASP 23 N -0.74 0.06 -0.79 4.37 3.32 -1.13 -3.06 116.42 118.46 3kki h ASP 23 Ca -0.44 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 3kki h ASP 23 Cb 1.34 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.84 3kki h ASP 23 CO -0.26 0.37 0.32 0.40 -1.72 0.00 0.00 179.24 178.34 3kki h ILE 24 N 0.06 1.26 -4.04 0.35 2.04 -1.81 -3.45 117.51 111.91 3kki h ILE 24 Ca 0.01 -0.82 -0.50 0.00 1.00 0.00 0.00 64.86 64.54 3kki h ILE 24 Cb 0.57 0.31 0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3kki h ILE 24 CO 0.04 0.34 0.45 0.20 0.00 0.00 0.00 178.15 179.18 3kki s ASN 25 N -6.37 6.00 0.20 1.72 0.01 -1.16 -4.96 114.94 110.39 3kki s ASN 25 Ca -0.12 2.21 -0.15 0.00 -0.71 0.00 0.00 52.86 54.09 3kki s ASN 25 Cb 0.16 -2.59 0.19 0.00 0.41 0.00 0.00 41.25 39.42 3kki s ASN 25 CO 0.84 -1.03 1.64 0.50 -1.51 0.00 0.00 177.10 177.54 3kki h LYS 26 N 1.65 0.00 -0.00 -0.60 3.64 -1.88 -1.56 116.57 117.82 3kki h LYS 26 Ca -0.50 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3kki h LYS 26 Cb 1.25 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3kki h LYS 26 CO 0.59 0.00 -0.02 0.27 -2.27 0.00 0.00 179.45 178.02 3kki n ASN 27 N -5.39 0.16 0.00 4.20 0.23 -1.26 -4.90 115.26 108.31 3kki n ASN 27 Ca 0.06 -0.66 0.00 0.00 -0.53 0.00 0.00 54.58 53.45 3kki n ASN 27 Cb 0.29 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 3kki n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kki n GLY 28 N 1.16 0.73 3.89 4.83 0.00 -0.59 -5.01 105.19 110.20 3kki n GLY 28 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 3kki n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kki s LYS 29 N -0.14 2.37 0.61 1.61 1.02 -1.21 -4.29 119.74 119.70 3kki s LYS 29 Ca 0.00 -1.77 -0.18 0.00 0.02 0.00 0.00 55.97 54.03 3kki s LYS 29 Cb 0.00 -2.25 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 3kki s LYS 29 CO 0.00 -0.42 1.23 -1.58 -0.92 0.00 0.00 175.35 173.66 3kki s HIS 30 N -2.62 2.31 0.53 3.18 5.65 -1.26 -4.56 115.29 118.52 3kki s HIS 30 Ca 0.43 1.51 0.28 0.00 0.25 0.00 0.00 55.06 57.53 3kki s HIS 30 Cb -0.02 -3.53 1.42 0.00 -1.18 0.00 0.00 32.58 29.28 3kki s HIS 30 CO 0.26 -2.38 1.94 1.25 -0.65 0.00 0.00 174.74 175.16 3kki h LEU 31 N 0.77 0.02 -0.23 8.88 5.85 -1.95 0.12 115.31 128.77 3kki h LEU 31 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3kki h LEU 31 Cb 1.31 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3kki h LEU 31 CO 0.54 0.01 0.00 1.33 -0.34 0.00 0.00 178.44 179.98 3kki n VAL 32 N -4.33 0.63 -3.53 1.05 0.24 -1.26 -4.61 118.33 106.51 3kki n VAL 32 Ca 0.14 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.34 62.00 3kki n VAL 32 Cb 0.77 -0.80 -0.09 0.00 -1.47 0.00 0.00 33.84 32.25 3kki n VAL 32 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3kki s LEU 33 N -4.17 5.40 0.00 1.34 1.43 0.03 -4.76 118.68 117.94 3kki s LEU 33 Ca 0.09 -1.54 0.00 0.00 -1.03 0.00 0.00 54.13 51.65 3kki s LEU 33 Cb 0.12 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.29 3kki s LEU 33 CO 0.49 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 177.08 3kki n GLY 34 N 5.00 1.04 3.94 -3.19 0.00 -1.26 -4.71 105.19 106.00 3kki n GLY 34 Ca -0.10 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 3kki n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kki s LYS 35 N 4.15 3.16 0.12 1.61 -2.85 -1.26 -5.06 119.74 119.62 3kki s LYS 35 Ca 0.00 -0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 54.43 3kki s LYS 35 Cb 0.00 -2.47 -0.06 0.00 -2.06 0.00 0.00 37.83 33.23 3kki s LYS 35 CO 0.00 -0.31 1.10 -1.14 0.10 0.00 0.00 175.35 175.10 3kki s GLN 36 N -4.66 4.56 0.13 1.78 0.74 -1.26 -5.02 119.66 115.94 3kki s GLN 36 Ca 0.48 1.67 -0.30 0.00 0.05 0.00 0.00 55.36 57.26 3kki s GLN 36 Cb -0.10 -3.32 -0.06 0.00 1.10 0.00 0.00 33.01 30.62 3kki s GLN 36 CO 0.41 -0.00 0.96 0.00 -0.55 0.00 0.00 175.29 176.10 3kki s ALA 37 N 0.23 3.26 0.45 1.58 0.00 -1.26 -5.07 121.76 120.95 3kki s ALA 37 Ca 0.52 0.58 -0.06 0.00 0.00 0.00 0.00 51.96 53.00 3kki s ALA 37 Cb -0.28 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3kki s ALA 37 CO 0.32 0.01 0.75 -1.54 0.00 0.00 0.00 175.76 175.30 3kki s SER 38 N -0.18 6.31 0.58 0.00 1.04 -1.26 -4.98 113.70 115.21 3kki s SER 38 Ca 0.46 0.91 0.28 0.00 0.48 0.00 0.00 55.95 58.08 3kki s SER 38 Cb -0.24 -2.24 1.50 0.00 0.10 0.00 0.00 66.02 65.15 3kki s SER 38 CO 0.30 -0.51 1.95 -0.65 0.98 0.00 0.00 173.24 175.31 3kki h PRO 39 N 0.50 0.00 0.00 4.02 0.11 -2.05 -1.83 132.00 132.76 3kki h PRO 39 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kki h PRO 39 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kki h PRO 39 CO 0.62 0.00 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.96 3kki h ASP 40 N 0.00 0.00 -4.17 -2.05 3.32 -2.00 -3.47 116.42 108.04 3kki h ASP 40 Ca 0.21 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.76 3kki h ASP 40 Cb 1.05 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.68 3kki h ASP 40 CO -0.00 0.01 0.38 -1.81 -1.72 0.00 0.00 179.24 176.11 3kki s ASP 41 N -6.12 5.59 -0.26 6.45 1.01 -0.69 -5.01 116.67 117.63 3kki s ASP 41 Ca 0.06 1.93 -0.20 0.00 0.71 0.00 0.00 52.55 55.05 3kki s ASP 41 Cb 0.06 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 3kki s ASP 41 CO 0.65 -1.30 0.61 -0.63 0.21 0.00 0.00 175.17 174.70 3kki s ILE 42 N -2.29 5.00 -0.24 0.77 1.01 -0.27 -4.98 121.20 120.20 3kki s ILE 42 Ca 0.66 1.06 -0.07 0.00 0.00 0.00 0.00 60.65 62.30 3kki s ILE 42 Cb -0.19 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 3kki s ILE 42 CO 0.36 0.02 0.05 -0.63 0.00 0.00 0.00 174.94 174.74 3kki s ILE 43 N 2.48 4.16 -0.44 2.92 -1.09 -1.26 -1.30 121.20 126.66 3kki s ILE 43 Ca 0.25 -0.23 0.08 0.00 -2.23 0.00 0.00 60.65 58.52 3kki s ILE 43 Cb -0.15 -2.93 0.40 0.00 -1.58 0.00 0.00 42.46 38.20 3kki s ILE 43 CO 0.09 0.37 1.01 0.18 -1.23 0.00 0.00 174.94 175.36 3kki n LEU 44 N 4.75 3.72 -0.02 2.97 4.77 0.48 -4.80 117.00 128.87 3kki n LEU 44 Ca -0.17 -5.01 -0.02 0.00 -0.03 0.00 0.00 56.01 50.78 3kki n LEU 44 Cb 0.51 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3kki n LEU 44 CO 0.31 2.14 -0.61 0.00 -1.33 0.00 0.00 177.39 177.90 3kki n GLN 45 N -0.29 2.87 -2.57 3.23 6.02 -1.26 -0.72 117.38 124.67 3kki n GLN 45 Ca 0.30 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.93 3kki n GLN 45 Cb 0.63 -1.08 -0.04 0.00 1.02 0.00 0.00 30.24 30.77 3kki n GLN 45 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3kki s SER 46 N -3.57 6.79 0.00 1.08 0.15 -1.26 -4.88 113.70 112.00 3kki s SER 46 Ca -0.02 2.01 0.20 0.00 0.70 0.00 0.00 55.95 58.83 3kki s SER 46 Cb 0.01 -2.58 0.79 0.00 -1.71 0.00 0.00 66.02 62.53 3kki s SER 46 CO 0.12 -0.47 1.56 0.59 1.20 0.00 0.00 173.24 176.24 3kki n ASN 47 N -0.08 1.31 -4.43 5.45 3.02 -1.26 -4.72 115.26 114.56 3kki n ASN 47 Ca 0.05 -1.67 -0.40 0.00 -0.03 0.00 0.00 54.58 52.53 3kki n ASN 47 Cb 0.50 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 3kki n ASN 47 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3kki n ASP 48 N 0.09 4.37 0.14 6.41 2.03 -1.25 -3.32 116.55 125.01 3kki n ASP 48 Ca 0.15 -2.86 0.00 0.00 0.52 0.00 0.00 54.79 52.61 3kki n ASP 48 Cb 0.27 -1.71 0.30 0.00 -0.72 0.00 0.00 41.12 39.26 3kki n ASP 48 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3kki h TYR 49 N 7.74 0.14 -0.44 -0.67 0.99 -1.85 -2.15 116.97 120.73 3kki h TYR 49 Ca 0.42 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.12 3kki h TYR 49 Cb 0.84 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 38.54 3kki h TYR 49 CO 1.39 0.48 0.00 1.28 -0.00 0.00 0.00 178.16 181.31 3kki n LEU 50 N -4.07 4.98 -3.77 3.88 4.77 -1.26 -0.95 117.00 120.56 3kki n LEU 50 Ca -0.02 -2.97 -0.28 0.00 -0.03 0.00 0.00 56.01 52.71 3kki n LEU 50 Cb 0.43 -0.63 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 3kki n LEU 50 CO 0.40 0.65 -0.13 0.00 -1.33 0.00 0.00 177.39 176.98 3kki n ALA 51 N 0.15 -2.32 0.78 -1.18 0.00 -0.81 -4.80 120.51 112.33 3kki n ALA 51 Ca 0.25 -0.24 0.09 0.00 0.00 0.00 0.00 53.44 53.54 3kki n ALA 51 Cb 1.07 -3.01 0.06 0.00 0.00 0.00 0.00 19.45 17.57 3kki n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kki n LEU 52 N -4.27 2.36 -0.30 0.00 4.77 -1.26 -4.60 117.00 113.69 3kki n LEU 52 Ca -0.19 -0.94 0.17 0.00 -0.03 0.00 0.00 56.01 55.02 3kki n LEU 52 Cb 0.63 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 42.15 3kki n LEU 52 CO 0.70 0.42 1.21 0.00 -1.33 0.00 0.00 177.39 178.39 3kki h ALA 53 N 3.51 1.99 -0.28 -1.18 0.00 -1.91 -2.00 119.26 119.40 3kki h ALA 53 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kki h ALA 53 Cb 0.73 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kki h ALA 53 CO 0.00 -0.33 0.00 -1.71 0.00 0.00 0.00 179.25 177.21 3kki n ASN 54 N -4.62 3.70 -4.67 0.00 5.15 -1.26 -4.97 115.26 108.58 3kki n ASN 54 Ca 0.22 -2.80 -0.42 0.00 -0.60 0.00 0.00 54.58 50.97 3kki n ASN 54 Cb 0.67 -0.48 -0.03 0.00 -0.53 0.00 0.00 39.78 39.41 3kki n ASN 54 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3kki s HIS 55 N -2.44 1.88 0.40 1.20 2.46 -0.75 -4.88 115.29 113.15 3kki s HIS 55 Ca 0.38 -0.03 0.07 0.00 0.47 0.00 0.00 55.06 55.95 3kki s HIS 55 Cb 0.30 -4.09 0.82 0.00 -0.13 0.00 0.00 32.58 29.48 3kki s HIS 55 CO 0.10 -4.61 2.03 -1.00 -2.47 0.00 0.00 174.74 168.78 3kki h PRO 56 N 9.42 0.52 -0.36 2.88 0.13 -1.95 -2.26 132.00 140.39 3kki h PRO 56 Ca -0.45 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 3kki h PRO 56 Cb 1.21 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3kki h PRO 56 CO 0.94 0.39 -0.43 1.25 -0.23 0.00 0.00 178.00 179.92 3kki h LEU 57 N 0.53 1.00 -0.05 1.56 5.85 -1.99 -0.88 115.31 121.34 3kki h LEU 57 Ca 0.14 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 3kki h LEU 57 Cb 0.02 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 3kki h LEU 57 CO -0.02 1.28 0.02 0.40 -0.34 0.00 0.00 178.44 179.78 3kki h ILE 58 N 0.74 1.13 -0.82 4.05 2.04 -1.84 -2.12 117.51 120.69 3kki h ILE 58 Ca 0.05 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.53 3kki h ILE 58 Cb 1.03 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 3kki h ILE 58 CO 0.10 0.11 0.54 0.11 0.00 0.00 0.00 178.15 179.01 3kki h LYS 59 N -0.08 1.06 -0.32 2.37 1.57 -1.39 -1.31 116.57 118.48 3kki h LYS 59 Ca 0.02 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kki h LYS 59 Cb 0.16 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3kki h LYS 59 CO -0.00 0.70 0.18 0.00 -0.57 0.00 0.00 179.45 179.76 3kki h ALA 60 N 1.31 0.40 -0.42 3.86 0.00 -1.07 -0.63 119.26 122.72 3kki h ALA 60 Ca 0.31 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3kki h ALA 60 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3kki h ALA 60 CO -0.08 -0.08 -0.20 -0.09 0.00 0.00 0.00 179.25 178.81 3kki h ARG 61 N 0.40 0.82 -0.22 0.00 9.65 -1.14 -0.15 114.38 123.73 3kki h ARG 61 Ca 0.11 -0.32 -0.04 0.00 -1.10 0.00 0.00 59.98 58.63 3kki h ARG 61 Cb 0.04 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 3kki h ARG 61 CO -0.02 0.95 -0.01 1.25 2.80 0.00 0.00 179.97 184.94 3kki h LEU 62 N 0.72 0.39 -0.31 3.80 5.85 -1.15 -1.30 115.31 123.31 3kki h LEU 62 Ca 0.10 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3kki h LEU 62 Cb 0.72 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3kki h LEU 62 CO 0.06 0.62 0.17 0.00 -0.34 0.00 0.00 178.44 178.94 3kki h ALA 63 N 0.78 0.39 -0.51 1.25 0.00 -1.05 -2.01 119.26 118.12 3kki h ALA 63 Ca 0.06 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kki h ALA 63 Cb 0.42 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3kki h ALA 63 CO 0.01 -0.08 0.25 -0.22 0.00 0.00 0.00 179.25 179.22 3kki h LYS 64 N 0.38 0.48 -0.29 0.00 3.64 -0.97 -2.02 116.57 117.79 3kki h LYS 64 Ca 0.11 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 3kki h LYS 64 Cb 0.06 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3kki h LYS 64 CO -0.02 0.32 -0.32 1.03 -2.27 0.00 0.00 179.45 178.19 3kki h SER 65 N 0.50 0.64 -0.63 4.20 0.87 -1.11 -2.89 113.55 115.12 3kki h SER 65 Ca 0.22 -0.26 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 3kki h SER 65 Cb 0.14 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 3kki h SER 65 CO -0.16 0.92 0.13 0.25 -0.53 0.00 0.00 176.83 177.44 3kki h LEU 66 N 0.53 1.00 -0.72 2.23 5.85 -1.18 -2.98 115.31 120.04 3kki h LEU 66 Ca 0.06 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3kki h LEU 66 Cb 0.81 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3kki h LEU 66 CO 0.07 0.98 0.00 -0.07 -0.34 0.00 0.00 178.44 179.08 3kki h LEU 67 N 0.99 0.00-10.24 2.25 3.38 -1.17 -3.45 115.31 107.07 3kki h LEU 67 Ca 0.20 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.70 3kki h LEU 67 Cb 0.39 0.00 0.19 0.00 0.09 0.00 0.00 40.66 41.33 3kki h LEU 67 CO 0.01 0.00 0.13 -1.61 0.09 0.00 0.00 178.44 177.06 3kki s GLU 68 N -3.37 0.17 -0.06 1.13 0.41 -1.13 -4.89 118.70 110.97 3kki s GLU 68 Ca 0.05 1.00 -0.29 0.00 -0.41 0.00 0.00 54.97 55.32 3kki s GLU 68 Cb 0.09 -1.67 -0.07 0.00 -1.78 0.00 0.00 34.13 30.70 3kki s GLU 68 CO 0.51 -3.04 1.94 -2.00 -0.49 0.00 0.00 175.26 172.19 3kki s GLU 69 N -4.65 3.89 -0.30 1.61 2.12 -1.26 -4.94 118.70 115.17 3kki s GLU 69 Ca 0.67 2.33 -0.20 0.00 0.36 0.00 0.00 54.97 58.12 3kki s GLU 69 Cb -0.22 -4.17 -0.01 0.00 0.26 0.00 0.00 34.13 29.98 3kki s GLU 69 CO 0.61 -1.23 0.60 -0.65 -0.54 0.00 0.00 175.26 174.05 3kki s GLN 70 N 4.84 3.90 0.38 4.30 -1.52 -1.26 -5.05 119.66 125.25 3kki s GLN 70 Ca 0.87 0.27 -0.25 0.00 -1.95 0.00 0.00 55.36 54.30 3kki s GLN 70 Cb -0.37 -3.72 -0.09 0.00 -0.22 0.00 0.00 33.01 28.61 3kki s GLN 70 CO 0.37 -0.54 1.09 1.14 -0.25 0.00 0.00 175.29 177.10 3kki s GLN 71 N 2.55 4.20 -0.93 2.91 -2.07 -1.26 -4.97 119.66 120.09 3kki s GLN 71 Ca 0.24 1.66 -0.20 0.00 -1.82 0.00 0.00 55.36 55.24 3kki s GLN 71 Cb -0.15 -2.68 0.11 0.00 -1.09 0.00 0.00 33.01 29.19 3kki s GLN 71 CO 0.11 -0.14 1.19 0.45 -1.32 0.00 0.00 175.29 175.58 3kki s SER 72 N -1.32 6.55 -0.77 12.60 0.15 -1.26 -4.87 113.70 124.78 3kki s SER 72 Ca 0.55 -1.79 0.00 0.00 0.70 0.00 0.00 55.95 55.41 3kki s SER 72 Cb -0.26 -2.44 0.36 0.00 -1.71 0.00 0.00 66.02 61.96 3kki s SER 72 CO 0.33 -1.21 1.72 0.18 1.20 0.00 0.00 173.24 175.46 3kki n LEU 73 N 7.24 6.70 -4.41 3.45 4.77 -1.26 -4.91 117.00 128.57 3kki n LEU 73 Ca 0.24 -5.07 -0.45 0.00 -0.03 0.00 0.00 56.01 50.69 3kki n LEU 73 Cb 0.49 -0.92 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 3kki n LEU 73 CO 0.55 1.95 0.94 -0.36 -1.33 0.00 0.00 177.39 179.15 3kki s PHE 74 N -3.97 3.48 0.14 -1.77 0.40 -1.26 -4.72 117.98 110.28 3kki s PHE 74 Ca 0.49 -1.85 -0.26 0.00 -0.60 0.00 0.00 56.93 54.71 3kki s PHE 74 Cb 0.38 -4.14 0.07 0.00 0.51 0.00 0.00 43.02 39.84 3kki s PHE 74 CO -0.30 -1.30 1.00 0.00 0.70 0.00 0.00 175.22 175.32 3kki s MET 75 N 1.42 1.11 0.43 0.44 0.23 -1.26 -5.06 119.30 116.61 3kki s MET 75 Ca 0.32 -0.62 -0.26 0.00 -1.03 0.00 0.00 55.69 54.10 3kki s MET 75 Cb -0.06 0.38 -0.09 0.00 -1.53 0.00 0.00 34.83 33.53 3kki s MET 75 CO -0.07 -0.51 1.46 0.45 -2.03 0.00 0.00 175.02 174.32 3kki n SER 76 N -0.49 3.49 0.15 -1.18 2.88 -1.26 -2.17 113.62 115.04 3kki n SER 76 Ca -0.06 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.75 3kki n SER 76 Cb 0.61 -1.61 0.55 0.00 -0.75 0.00 0.00 64.21 63.00 3kki n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kki h ALA 77 N 2.49 1.00 -1.00 -1.46 0.00 -1.78 -2.85 119.26 115.67 3kki h ALA 77 Ca -0.51 0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.56 3kki h ALA 77 Cb 1.26 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 3kki h ALA 77 CO 0.62 0.00 0.62 0.77 0.00 0.00 0.00 179.25 181.25 3kki h SER 78 N 0.00 0.85 0.55 0.00 0.02 -1.75 -0.02 113.55 113.19 3kki h SER 78 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3kki h SER 78 Cb 0.24 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3kki h SER 78 CO 0.00 0.37 0.00 0.49 -1.14 0.00 0.00 176.83 176.55 3kki n PHE 79 N -4.70 0.00 -1.51 3.45 3.01 -1.07 -3.61 117.46 113.02 3kki n PHE 79 Ca 0.21 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.62 3kki n PHE 79 Cb 0.47 -0.32 0.19 0.00 -0.01 0.00 0.00 39.48 39.80 3kki n PHE 79 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3kki n LEU 80 N -1.32 4.05 -0.83 4.37 4.77 -0.02 -4.67 117.00 123.35 3kki n LEU 80 Ca 0.11 -3.88 0.12 0.00 -0.03 0.00 0.00 56.01 52.33 3kki n LEU 80 Cb 0.22 -0.62 0.10 0.00 -2.33 0.00 0.00 43.42 40.79 3kki n LEU 80 CO 0.20 1.35 0.57 0.00 -1.33 0.00 0.00 177.39 178.18 3kki n GLN 81 N -1.10 2.03 -1.88 3.23 1.13 -1.24 -3.82 117.38 115.72 3kki n GLN 81 Ca 0.33 -1.66 -0.40 0.00 -1.94 0.00 0.00 57.00 53.32 3kki n GLN 81 Cb 0.98 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.87 3kki n GLN 81 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3kki s ASN 82 N -2.11 6.15 0.31 1.08 0.01 -1.26 -4.85 114.94 114.27 3kki s ASN 82 Ca 0.26 2.87 0.08 0.00 -0.71 0.00 0.00 52.86 55.37 3kki s ASN 82 Cb 0.20 -2.65 0.86 0.00 0.41 0.00 0.00 41.25 40.07 3kki s ASN 82 CO 0.37 -0.98 1.71 -2.24 -1.51 0.00 0.00 177.10 174.45 3kki h ASP 83 N 2.64 0.57 1.01 -1.22 2.03 -1.96 0.16 116.42 119.65 3kki h ASP 83 Ca -0.50 0.15 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 3kki h ASP 83 Cb 1.25 0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 3kki h ASP 83 CO 0.62 0.05 0.00 0.10 -1.03 0.00 0.00 179.24 178.99 3kki h TYR 84 N 0.51 0.00 0.00 4.15 -0.00 -1.95 -3.08 116.97 116.60 3kki h TYR 84 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.36 3kki h TYR 84 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.95 3kki h TYR 84 CO -0.04 0.00 -1.33 -0.25 -0.00 0.00 0.00 178.16 176.54 3kki n ASP 85 N -2.33 0.55 -4.74 0.10 8.00 0.53 -4.95 116.55 113.70 3kki n ASP 85 Ca 0.03 -0.40 -0.41 0.00 0.71 0.00 0.00 54.79 54.72 3kki n ASP 85 Cb 0.30 1.25 -0.05 0.00 -0.02 0.00 0.00 41.12 42.61 3kki n ASP 85 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kki s LYS 86 N -3.24 4.68 0.37 -1.24 1.02 -1.04 -4.90 119.74 115.38 3kki s LYS 86 Ca 0.01 1.62 -0.25 0.00 0.02 0.00 0.00 55.97 57.37 3kki s LYS 86 Cb 0.15 -3.29 -0.09 0.00 -0.52 0.00 0.00 37.83 34.07 3kki s LYS 86 CO 0.86 0.21 1.03 -1.25 -0.92 0.00 0.00 175.35 175.28 3kki s PRO 87 N -0.57 4.33 0.50 -1.68 0.04 -1.26 -4.94 135.00 131.42 3kki s PRO 87 Ca 0.47 1.50 0.19 0.00 0.04 0.00 0.00 61.00 63.19 3kki s PRO 87 Cb -0.28 -2.68 1.27 0.00 0.04 0.00 0.00 34.50 32.85 3kki s PRO 87 CO 0.34 0.01 2.05 1.98 0.04 0.00 0.00 177.00 181.42 3kki h MET 88 N 2.82 0.09 -0.69 4.56 4.05 -1.95 -2.20 114.93 121.61 3kki h MET 88 Ca -0.48 -0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.08 3kki h MET 88 Cb 1.21 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.94 3kki h MET 88 CO 0.63 0.06 0.47 0.97 0.23 0.00 0.00 176.91 179.27 3kki h ILE 89 N 0.10 0.80 -0.26 1.77 6.09 -1.92 -1.97 117.51 122.12 3kki h ILE 89 Ca 0.17 -0.12 -0.02 0.00 -1.37 0.00 0.00 64.86 63.51 3kki h ILE 89 Cb 0.54 0.42 -0.01 0.00 0.47 0.00 0.00 36.82 38.24 3kki h ILE 89 CO -0.02 0.06 0.08 -0.33 -3.07 0.00 0.00 178.15 174.88 3kki h GLU 90 N 0.35 0.41 -0.57 2.19 5.08 -1.71 0.43 114.58 120.75 3kki h GLU 90 Ca 0.34 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 3kki h GLU 90 Cb 0.82 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 3kki h GLU 90 CO -0.09 0.48 0.14 0.87 -1.00 0.00 0.00 179.01 179.40 3kki h LYS 91 N 0.26 0.88 -0.17 2.33 6.56 -1.52 -1.71 116.57 123.21 3kki h LYS 91 Ca 0.08 -0.19 -0.21 0.00 -1.06 0.00 0.00 60.65 59.28 3kki h LYS 91 Cb 0.24 -0.13 0.01 0.00 -0.57 0.00 0.00 32.23 31.78 3kki h LYS 91 CO -0.00 0.79 -0.72 0.00 -2.06 0.00 0.00 179.45 177.46 3kki h ARG 92 N 0.85 0.78 -0.39 3.15 3.08 -1.23 -1.80 114.38 118.82 3kki h ARG 92 Ca 0.18 -0.62 -0.09 0.00 0.07 0.00 0.00 59.98 59.53 3kki h ARG 92 Cb 0.31 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3kki h ARG 92 CO -0.00 1.23 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.94 3kki h LEU 93 N 0.51 0.68 -0.17 3.04 3.38 -0.81 0.37 115.31 122.31 3kki h LEU 93 Ca -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3kki h LEU 93 Cb 1.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3kki h LEU 93 CO 0.15 0.82 0.08 0.00 0.09 0.00 0.00 178.44 179.58 3kki h ALA 94 N 1.24 0.22 -0.93 1.53 0.00 -1.28 -1.93 119.26 118.12 3kki h ALA 94 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kki h ALA 94 Cb 0.56 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3kki h ALA 94 CO 0.04 -0.22 0.55 -0.22 0.00 0.00 0.00 179.25 179.39 3kki h LYS 95 N 0.14 1.26 0.00 0.00 3.64 -1.16 -0.17 116.57 120.29 3kki h LYS 95 Ca 0.06 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3kki h LYS 95 Cb 0.12 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3kki h LYS 95 CO -0.01 0.89 -0.10 0.35 -2.27 0.00 0.00 179.45 178.31 3kki h PHE 96 N 1.28 -0.26 0.00 1.91 3.57 -0.74 -3.14 116.94 119.56 3kki h PHE 96 Ca 0.33 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.76 3kki h PHE 96 Cb -0.04 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3kki h PHE 96 CO 0.00 -0.16 -0.64 1.79 -2.23 0.00 0.00 178.31 177.08 3kki h THR 97 N -0.18 0.45 0.00 4.41 1.35 -1.27 -3.44 112.91 114.23 3kki h THR 97 Ca 0.04 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 3kki h THR 97 Cb 0.22 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3kki h THR 97 CO -0.10 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 3kki n GLY 98 N 1.22 0.74 3.84 5.82 0.00 -0.11 -4.78 105.19 111.92 3kki n GLY 98 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3kki n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kki s PHE 99 N -2.45 3.44 0.08 1.61 0.40 -1.00 -4.87 117.98 115.19 3kki s PHE 99 Ca 0.00 1.45 -0.22 0.00 -0.60 0.00 0.00 56.93 57.56 3kki s PHE 99 Cb 0.00 -2.80 -0.13 0.00 0.51 0.00 0.00 43.02 40.60 3kki s PHE 99 CO 0.00 -0.46 1.65 -0.44 0.70 0.00 0.00 175.22 176.68 3kki h ASP 100 N 0.74 0.09 -4.65 1.36 3.32 -1.79 -3.40 116.42 112.09 3kki h ASP 100 Ca -0.46 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 56.30 3kki h ASP 100 Cb 1.19 -0.02 -0.23 0.00 0.22 0.00 0.00 39.33 40.49 3kki h ASP 100 CO 0.61 0.17 -0.64 -0.70 -1.72 0.00 0.00 179.24 176.97 3kki s GLU 101 N -5.76 0.29 0.04 3.56 2.12 -0.82 -4.92 118.70 113.20 3kki s GLU 101 Ca -0.14 -0.38 0.07 0.00 0.36 0.00 0.00 54.97 54.88 3kki s GLU 101 Cb 0.06 0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.54 3kki s GLU 101 CO 0.68 -0.05 -0.20 0.00 -0.54 0.00 0.00 175.26 175.15 3kki s LEU 103 N -1.11 1.42 0.36 0.00 2.96 0.47 -4.79 118.68 117.99 3kki s LEU 103 Ca 0.07 -0.27 -0.27 0.00 -0.22 0.00 0.00 54.13 53.44 3kki s LEU 103 Cb -0.09 -0.77 -0.09 0.00 0.50 0.00 0.00 46.19 45.75 3kki s LEU 103 CO 0.01 -0.03 1.17 -0.76 -1.32 0.00 0.00 176.35 175.42 3kki s LEU 104 N 1.08 4.31 0.18 -0.68 1.43 -1.26 -1.23 118.68 122.50 3kki s LEU 104 Ca -0.07 2.38 0.02 0.00 -1.03 0.00 0.00 54.13 55.43 3kki s LEU 104 Cb -0.14 -3.88 -0.05 0.00 0.03 0.00 0.00 46.19 42.15 3kki s LEU 104 CO -0.01 -0.53 -0.01 -0.55 0.23 0.00 0.00 176.35 175.48 3kki s SER 105 N -0.98 1.38 0.30 2.29 0.15 -0.01 -4.92 113.70 111.91 3kki s SER 105 Ca 0.53 -1.15 0.26 0.00 0.70 0.00 0.00 55.95 56.28 3kki s SER 105 Cb -0.32 0.08 0.85 0.00 -1.71 0.00 0.00 66.02 64.92 3kki s SER 105 CO 0.41 -0.53 1.76 1.56 1.20 0.00 0.00 173.24 177.64 3kki h GLN 106 N 2.68 0.00 -2.59 5.44 7.50 -1.91 -0.99 115.11 125.24 3kki h GLN 106 Ca -0.37 0.00 0.05 0.00 0.50 0.00 0.00 58.65 58.84 3kki h GLN 106 Cb 1.20 0.00 -0.14 0.00 0.05 0.00 0.00 27.48 28.60 3kki h GLN 106 CO 0.63 0.00 0.37 -1.54 -1.50 0.00 0.00 178.83 176.79 3kki s SER 107 N -4.88 -0.45 0.28 1.46 1.04 -1.26 -3.73 113.70 106.16 3kki s SER 107 Ca 0.07 -0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 3kki s SER 107 Cb 0.10 0.48 0.38 0.00 0.10 0.00 0.00 66.02 67.08 3kki s SER 107 CO 0.55 -0.78 1.94 1.23 0.98 0.00 0.00 173.24 177.16 3kki h GLY 108 N 2.00 1.32 0.50 7.32 0.00 -1.78 -0.82 103.07 111.60 3kki h GLY 108 Ca -0.27 -0.47 0.04 0.00 0.00 0.00 0.00 47.33 46.62 3kki h GLY 108 CO 0.34 0.44 -0.17 -0.25 0.00 0.00 0.00 176.54 176.90 3kki h TRP 109 N 1.21 -0.43 -0.29 5.60 2.91 -1.93 -1.90 115.95 121.12 3kki h TRP 109 Ca 0.35 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.33 3kki h TRP 109 Cb -0.07 0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.76 3kki h TRP 109 CO -0.00 -0.24 -0.07 -0.91 -1.03 0.00 0.00 178.44 176.18 3kki h ASN 110 N -0.24 0.45 -0.31 2.65 4.21 -1.88 -1.00 115.58 119.46 3kki h ASN 110 Ca 0.08 -0.10 0.01 0.00 1.21 0.00 0.00 56.30 57.50 3kki h ASN 110 Cb 0.35 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.41 3kki h ASN 110 CO -0.22 0.57 0.18 0.00 -1.29 0.00 0.00 177.43 176.67 3kki h ALA 111 N 1.48 0.39 -0.05 -0.83 0.00 -0.79 0.20 119.26 119.66 3kki h ALA 111 Ca 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kki h ALA 111 Cb 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kki h ALA 111 CO 0.02 -0.19 -0.04 -0.91 0.00 0.00 0.00 179.25 178.13 3kki h ASN 112 N 0.37 0.12 -0.42 0.00 2.35 -1.07 -1.39 115.58 115.54 3kki h ASN 112 Ca 0.12 -0.47 0.04 0.00 -0.55 0.00 0.00 56.30 55.44 3kki h ASN 112 Cb 0.01 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 3kki h ASN 112 CO -0.06 0.57 0.19 0.58 -1.65 0.00 0.00 177.43 177.05 3kki h VAL 113 N -0.32 0.94 -0.27 2.81 2.07 -1.17 -1.82 116.25 118.48 3kki h VAL 113 Ca 0.01 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3kki h VAL 113 Cb 0.53 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3kki h VAL 113 CO 0.01 0.07 0.09 1.23 0.02 0.00 0.00 177.57 178.99 3kki h GLY 114 N 0.39 0.45 0.93 2.17 0.00 -0.62 -1.00 103.07 105.40 3kki h GLY 114 Ca 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3kki h GLY 114 CO -0.15 0.25 0.12 -2.00 0.00 0.00 0.00 176.54 174.76 3kki h LEU 115 N 0.28 0.31 -0.84 3.11 5.85 -1.19 -2.39 115.31 120.45 3kki h LEU 115 Ca 0.09 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3kki h LEU 115 Cb 0.24 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3kki h LEU 115 CO -0.00 0.35 0.15 -0.07 -0.34 0.00 0.00 178.44 178.52 3kki h LEU 116 N 0.26 0.96 -1.21 2.25 3.38 -1.25 -1.80 115.31 117.89 3kki h LEU 116 Ca 0.08 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3kki h LEU 116 Cb 0.11 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3kki h LEU 116 CO -0.01 0.93 0.54 -0.61 0.09 0.00 0.00 178.44 179.38 3kki h GLN 117 N 0.97 1.02 -0.23 1.13 4.15 -1.07 -1.69 115.11 119.39 3kki h GLN 117 Ca 0.20 -0.06 -0.20 0.00 0.77 0.00 0.00 58.65 59.36 3kki h GLN 117 Cb 0.35 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3kki h GLN 117 CO 0.00 0.68 -0.63 1.15 -1.93 0.00 0.00 178.83 178.10 3kki h THR 118 N 1.05 1.28 -0.01 2.39 2.02 -0.82 -3.32 112.91 115.50 3kki h THR 118 Ca 0.31 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.68 3kki h THR 118 Cb -0.04 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3kki h THR 118 CO -0.08 0.58 -0.63 2.30 0.37 0.00 0.00 175.52 178.07 3kki n ILE 119 N -4.00 0.00 -3.96 3.11 -5.35 -0.75 -4.93 119.36 103.47 3kki n ILE 119 Ca -0.06 -0.13 -0.34 0.00 -0.27 0.00 0.00 62.75 61.95 3kki n ILE 119 Cb 0.67 0.94 -0.06 0.00 -1.74 0.00 0.00 39.64 39.45 3kki n ILE 119 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kki s GLN 121 N -1.60 2.54 0.35 0.00 -1.52 -1.26 -4.90 119.66 113.26 3kki s GLN 121 Ca 0.22 -1.40 -0.28 0.00 -1.95 0.00 0.00 55.36 51.95 3kki s GLN 121 Cb -0.12 -2.32 -0.12 0.00 -0.22 0.00 0.00 33.01 30.23 3kki s GLN 121 CO 0.13 0.15 1.38 -2.30 -0.25 0.00 0.00 175.29 174.40 3kki n PRO 122 N -1.21 2.36 -1.03 2.91 -0.02 -1.26 -1.65 135.00 135.10 3kki n PRO 122 Ca -0.03 0.83 -0.01 0.00 -2.02 0.00 0.00 63.50 62.26 3kki n PRO 122 Cb 0.60 -2.48 -0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3kki n PRO 122 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kki n ASN 123 N 0.79 -4.59 -4.74 2.55 5.03 -0.27 -4.92 115.26 109.11 3kki n ASN 123 Ca 0.04 0.03 -0.42 0.00 0.87 0.00 0.00 54.58 55.10 3kki n ASN 123 Cb 0.37 -2.18 -0.02 0.00 -1.02 0.00 0.00 39.78 36.93 3kki n ASN 123 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 3kki n THR 124 N -2.48 1.04 -2.27 3.41 -1.04 -0.66 -4.28 114.28 107.99 3kki n THR 124 Ca -0.01 -0.26 -0.43 0.00 -2.04 0.00 0.00 64.05 61.31 3kki n THR 124 Cb 0.28 -1.95 -0.02 0.00 -1.82 0.00 0.00 70.33 66.81 3kki n THR 124 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3kki s ASN 125 N 0.48 6.85 -0.24 8.00 0.01 -1.26 -0.06 114.94 128.72 3kki s ASN 125 Ca 0.64 1.92 0.02 0.00 -0.71 0.00 0.00 52.86 54.73 3kki s ASN 125 Cb -0.50 -2.54 0.05 0.00 0.41 0.00 0.00 41.25 38.67 3kki s ASN 125 CO 0.49 -0.80 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.47 3kki s VAL 126 N 3.47 2.25 -0.43 1.60 1.01 0.05 -0.47 120.40 127.87 3kki s VAL 126 Ca 0.62 -1.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 3kki s VAL 126 Cb -0.27 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 33.92 3kki s VAL 126 CO 0.21 0.11 0.41 -0.31 0.00 0.00 0.00 175.10 175.53 3kki s TYR 127 N 1.17 3.19 -0.07 5.22 2.02 0.11 0.18 117.35 129.16 3kki s TYR 127 Ca -0.05 -0.52 0.04 0.00 -0.37 0.00 0.00 57.07 56.17 3kki s TYR 127 Cb -0.18 -2.91 0.00 0.00 -0.40 0.00 0.00 41.96 38.47 3kki s TYR 127 CO -0.07 -0.72 -0.20 -1.50 -1.57 0.00 0.00 175.55 171.50 3kki s ILE 128 N 2.00 1.68 0.29 2.71 2.07 -0.73 -0.08 121.20 129.14 3kki s ILE 128 Ca 0.09 -0.82 -0.30 0.00 -1.41 0.00 0.00 60.65 58.22 3kki s ILE 128 Cb -0.19 -1.46 -0.11 0.00 0.13 0.00 0.00 42.46 40.83 3kki s ILE 128 CO 0.12 0.47 1.58 -0.62 -1.91 0.00 0.00 174.94 174.58 3kki s ASP 129 N 0.28 6.39 0.45 4.50 -1.08 -1.04 -1.20 116.67 124.97 3kki s ASP 129 Ca -0.12 2.93 0.26 0.00 -0.52 0.00 0.00 52.55 55.10 3kki s ASP 129 Cb -0.15 -2.64 1.29 0.00 -1.46 0.00 0.00 42.92 39.96 3kki s ASP 129 CO 0.05 -0.89 1.77 -0.26 0.52 0.00 0.00 175.17 176.36 3kki h PHE 130 N 4.77 0.42 -0.46 -5.34 0.04 -1.45 -0.84 116.94 114.08 3kki h PHE 130 Ca -0.47 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.31 3kki h PHE 130 Cb 1.22 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.25 3kki h PHE 130 CO 0.58 0.02 0.00 1.19 -0.60 0.00 0.00 178.31 179.50 3kki n PHE 131 N -4.48 0.60 -1.47 -0.55 3.72 -1.26 -4.99 117.46 109.04 3kki n PHE 131 Ca 0.26 -0.30 -0.35 0.00 -0.05 0.00 0.00 57.45 57.01 3kki n PHE 131 Cb 1.05 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.68 3kki n PHE 131 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kki s ALA 132 N -1.40 2.14 0.46 4.37 0.00 -0.32 -4.72 121.76 122.29 3kki s ALA 132 Ca 0.41 1.03 -0.24 0.00 0.00 0.00 0.00 51.96 53.16 3kki s ALA 132 Cb 0.24 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 3kki s ALA 132 CO 0.32 -1.90 1.28 1.58 0.00 0.00 0.00 175.76 177.05 3kki n HIS 133 N -2.54 2.13 -0.32 0.00 -0.00 -1.26 -4.79 115.22 108.44 3kki n HIS 133 Ca 0.15 0.47 0.22 0.00 0.46 0.00 0.00 57.72 59.02 3kki n HIS 133 Cb 0.49 -2.37 0.50 0.00 -0.12 0.00 0.00 29.99 28.50 3kki n HIS 133 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 3kki h MET 134 N 1.87 0.39 -0.19 1.57 4.05 -1.97 0.15 114.93 120.80 3kki h MET 134 Ca -0.49 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 58.90 3kki h MET 134 Cb 1.30 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 3kki h MET 134 CO 0.59 0.26 0.07 0.66 0.23 0.00 0.00 176.91 178.72 3kki h SER 135 N 0.40 0.23 -0.08 1.39 4.64 -1.93 0.11 113.55 118.30 3kki h SER 135 Ca 0.58 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.81 3kki h SER 135 Cb 1.47 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 3kki h SER 135 CO -0.29 0.22 -0.27 -0.07 -0.87 0.00 0.00 176.83 175.55 3kki h LEU 136 N 0.26 0.39 -0.33 5.97 3.38 -1.31 0.02 115.31 123.69 3kki h LEU 136 Ca 0.07 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.44 3kki h LEU 136 Cb 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3kki h LEU 136 CO -0.01 0.93 0.18 -0.50 0.09 0.00 0.00 178.44 179.13 3kki h TRP 137 N -0.14 0.33 -0.33 1.13 4.06 -1.29 -1.86 115.95 117.86 3kki h TRP 137 Ca -0.01 0.01 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 3kki h TRP 137 Cb 0.90 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.94 3kki h TRP 137 CO 0.12 0.19 -0.04 0.93 -3.56 0.00 0.00 178.44 176.08 3kki h GLU 138 N 0.37 0.61 -0.59 0.49 4.39 -0.86 -1.72 114.58 117.26 3kki h GLU 138 Ca 0.13 -0.21 0.12 0.00 0.34 0.00 0.00 59.36 59.74 3kki h GLU 138 Cb 0.03 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 28.53 3kki h GLU 138 CO -0.08 0.76 0.01 0.78 -1.16 0.00 0.00 179.01 179.32 3kki h GLY 139 N 0.40 0.64 0.99 -3.84 0.00 -0.89 0.17 103.07 100.53 3kki h GLY 139 Ca 0.09 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3kki h GLY 139 CO 0.02 -0.18 0.26 0.00 0.00 0.00 0.00 176.54 176.64 3kki h ALA 140 N 1.53 0.53 -0.73 3.60 0.00 -1.23 -2.80 119.26 120.17 3kki h ALA 140 Ca 0.31 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3kki h ALA 140 Cb 0.49 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3kki h ALA 140 CO -0.50 0.02 0.19 -0.09 0.00 0.00 0.00 179.25 178.87 3kki h ARG 141 N 0.56 1.15 -0.19 0.00 2.43 -0.31 -2.28 114.38 115.74 3kki h ARG 141 Ca 0.15 -0.27 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 3kki h ARG 141 Cb -0.01 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3kki h ARG 141 CO -0.03 1.00 -0.23 1.88 -1.51 0.00 0.00 179.97 181.07 3kki h TYR 142 N 1.09 0.37 -0.00 2.20 0.05 -0.66 -2.25 116.97 117.77 3kki h TYR 142 Ca 0.23 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.94 3kki h TYR 142 Cb 0.35 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.00 3kki h TYR 142 CO 0.03 0.55 -0.02 0.00 -1.05 0.00 0.00 178.16 177.67 3kki n ALA 143 N -2.48 2.65 -2.10 3.88 0.00 -1.05 -4.92 120.51 116.50 3kki n ALA 143 Ca -0.01 -0.24 -0.19 0.00 0.00 0.00 0.00 53.44 53.01 3kki n ALA 143 Cb 0.37 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 3kki n ALA 143 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kki n ASN 144 N -0.86 -5.34 -4.79 0.00 3.02 -0.85 -3.98 115.26 102.46 3kki n ASN 144 Ca 0.20 0.13 -0.30 0.00 -0.03 0.00 0.00 54.58 54.58 3kki n ASN 144 Cb 0.20 -4.42 0.10 0.00 -0.61 0.00 0.00 39.78 35.05 3kki n ASN 144 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kki s ALA 145 N -2.85 2.10 -0.50 5.41 0.00 -0.89 -1.11 121.76 123.92 3kki s ALA 145 Ca 0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.59 3kki s ALA 145 Cb 0.00 -3.13 0.05 0.00 0.00 0.00 0.00 23.12 20.04 3kki s ALA 145 CO 0.00 -1.86 0.67 -1.14 0.00 0.00 0.00 175.76 173.43 3kki s GLN 146 N -5.11 3.17 -0.13 0.00 0.74 0.91 -4.65 119.66 114.59 3kki s GLN 146 Ca 0.61 -0.74 -0.24 0.00 0.05 0.00 0.00 55.36 55.05 3kki s GLN 146 Cb -0.15 -4.07 -0.03 0.00 1.10 0.00 0.00 33.01 29.86 3kki s GLN 146 CO 0.55 -1.22 0.73 0.00 -0.55 0.00 0.00 175.29 174.80 3kki s ALA 147 N 2.82 3.45 -0.32 1.58 0.00 -1.26 -0.77 121.76 127.25 3kki s ALA 147 Ca 0.18 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.18 3kki s ALA 147 Cb -0.18 -3.06 0.09 0.00 0.00 0.00 0.00 23.12 19.97 3kki s ALA 147 CO 0.14 -0.40 0.01 -1.01 0.00 0.00 0.00 175.76 174.49 3kki s HIS 148 N 1.54 3.59 0.26 0.00 0.09 0.13 -4.95 115.29 115.95 3kki s HIS 148 Ca 0.36 -2.74 -0.30 0.00 -0.00 0.00 0.00 55.06 52.38 3kki s HIS 148 Cb -0.17 -2.61 -0.09 0.00 -0.00 0.00 0.00 32.58 29.70 3kki s HIS 148 CO 0.14 -0.93 1.13 -2.14 -0.00 0.00 0.00 174.74 172.95 3kki s PRO 149 N 0.98 4.59 0.03 8.40 0.02 -1.26 -1.77 135.00 145.99 3kki s PRO 149 Ca 0.04 1.85 0.06 0.00 0.02 0.00 0.00 61.00 62.96 3kki s PRO 149 Cb -0.19 -3.19 -0.03 0.00 0.02 0.00 0.00 34.50 31.10 3kki s PRO 149 CO -0.07 0.12 -0.13 -0.59 -0.33 0.00 0.00 177.00 176.00 3kki s PHE 150 N -0.90 2.70 0.50 6.54 -0.71 -0.34 -4.89 117.98 120.87 3kki s PHE 150 Ca 0.47 -0.17 -0.22 0.00 -1.04 0.00 0.00 56.93 55.97 3kki s PHE 150 Cb -0.33 -1.52 -0.08 0.00 -1.21 0.00 0.00 43.02 39.88 3kki s PHE 150 CO 0.41 0.30 1.04 -1.33 -1.34 0.00 0.00 175.22 174.30 3kki n MET 151 N 1.53 1.28 -1.69 1.99 2.81 -1.26 -1.20 117.12 120.58 3kki n MET 151 Ca -0.16 0.47 -0.54 0.00 -1.81 0.00 0.00 57.70 55.66 3kki n MET 151 Cb 0.52 -2.16 -0.06 0.00 -0.71 0.00 0.00 33.22 30.81 3kki n MET 151 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 3kki n HIS 152 N -0.95 2.12 -1.20 2.03 -0.00 -1.26 -1.00 115.22 114.96 3kki n HIS 152 Ca 0.11 0.36 -0.10 0.00 0.46 0.00 0.00 57.72 58.54 3kki n HIS 152 Cb 0.43 -2.52 -0.04 0.00 -0.12 0.00 0.00 29.99 27.73 3kki n HIS 152 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3kki n ASN 153 N 5.58 -4.46 -4.44 0.26 3.02 -1.26 -4.91 115.26 109.05 3kki n ASN 153 Ca 0.24 0.24 -0.44 0.00 -0.03 0.00 0.00 54.58 54.60 3kki n ASN 153 Cb 0.19 -3.48 -0.04 0.00 -0.61 0.00 0.00 39.78 35.84 3kki n ASN 153 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3kki s ASN 154 N -2.06 6.30 0.28 6.41 3.84 -0.17 -4.84 114.94 124.69 3kki s ASN 154 Ca 0.00 -1.36 0.05 0.00 0.21 0.00 0.00 52.86 51.76 3kki s ASN 154 Cb 0.00 -2.39 0.40 0.00 -0.55 0.00 0.00 41.25 38.71 3kki s ASN 154 CO 0.00 -1.28 1.67 0.00 -2.79 0.00 0.00 177.10 174.70 3kki h ASP 156 N 0.25 0.29 -0.25 0.00 3.32 -1.98 -0.94 116.42 117.10 3kki h ASP 156 Ca 0.02 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3kki h ASP 156 Cb 0.85 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 3kki h ASP 156 CO 0.07 0.31 0.14 -0.74 -1.72 0.00 0.00 179.24 177.29 3kki h HIS 157 N 0.25 0.26 -0.66 4.55 2.76 -1.92 -2.73 115.15 117.66 3kki h HIS 157 Ca 0.08 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.34 3kki h HIS 157 Cb 0.09 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 28.91 3kki h HIS 157 CO -0.03 0.15 0.32 1.25 -1.30 0.00 0.00 177.93 178.32 3kki h LEU 158 N 0.29 0.43 -0.68 0.26 5.85 -1.24 -2.44 115.31 117.78 3kki h LEU 158 Ca 0.10 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3kki h LEU 158 Cb 0.01 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3kki h LEU 158 CO -0.06 0.26 0.41 0.03 -0.34 0.00 0.00 178.44 178.74 3kki h ARG 159 N 0.57 0.76 -0.56 1.25 3.08 -0.91 -2.25 114.38 116.33 3kki h ARG 159 Ca 0.31 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 3kki h ARG 159 Cb 0.30 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3kki h ARG 159 CO -0.24 0.50 0.05 0.52 -1.07 0.00 0.00 179.97 179.73 3kki h MET 160 N 0.78 0.93 -0.40 0.04 2.86 -1.16 -1.04 114.93 116.93 3kki h MET 160 Ca 0.29 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 3kki h MET 160 Cb 0.09 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3kki h MET 160 CO -0.14 0.88 0.11 -0.07 1.06 0.00 0.00 176.91 178.75 3kki h LEU 161 N 0.87 0.59 -0.56 1.22 3.38 -1.05 -2.08 115.31 117.69 3kki h LEU 161 Ca 0.17 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 3kki h LEU 161 Cb 0.44 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3kki h LEU 161 CO 0.02 0.66 -0.19 0.40 0.09 0.00 0.00 178.44 179.41 3kki h ILE 162 N 0.50 1.27 -0.77 1.22 2.04 -1.30 -1.03 117.51 119.44 3kki h ILE 162 Ca 0.13 -1.34 0.13 0.00 1.00 0.00 0.00 64.86 64.77 3kki h ILE 162 Cb 0.29 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 3kki h ILE 162 CO -0.00 0.46 0.51 1.56 0.00 0.00 0.00 178.15 180.68 3kki h GLN 163 N 0.84 0.54 0.12 2.37 4.20 -1.06 0.10 115.11 122.22 3kki h GLN 163 Ca 0.12 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.62 3kki h GLN 163 Cb 0.75 -0.12 0.02 0.00 0.30 0.00 0.00 27.48 28.43 3kki h GLN 163 CO 0.06 0.36 -0.76 -0.09 -0.67 0.00 0.00 178.83 177.73 3kki h ARG 164 N 0.56 0.26 0.00 1.46 2.43 -0.92 -3.41 114.38 114.75 3kki h ARG 164 Ca 0.37 -0.44 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3kki h ARG 164 Cb 0.67 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3kki h ARG 164 CO -0.14 1.21 -1.88 0.72 -1.51 0.00 0.00 179.97 178.37 3kki n HIS 165 N -4.17 0.00 -0.19 2.20 8.25 -0.43 -5.11 115.22 115.77 3kki n HIS 165 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3kki n HIS 165 Cb 0.79 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.45 3kki n HIS 165 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kki n GLY 166 N 1.43 -1.76 3.76 -1.41 0.00 0.35 -4.98 105.19 102.57 3kki n GLY 166 Ca -0.04 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 3kki n GLY 166 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kki s PRO 167 N 0.00 4.13 0.01 1.61 0.02 -1.26 -4.77 135.00 134.74 3kki s PRO 167 Ca 0.00 2.55 -0.00 0.00 0.02 0.00 0.00 61.00 63.56 3kki s PRO 167 Cb 0.00 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.51 3kki s PRO 167 CO 0.00 -0.57 0.02 0.41 -0.33 0.00 0.00 177.00 176.52 3kki n GLY 168 N 1.55 2.17 3.62 0.52 0.00 -1.26 -4.53 105.19 107.26 3kki n GLY 168 Ca 0.05 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 3kki n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kki s ILE 169 N -2.88 5.31 -0.18 -0.61 1.01 0.38 -1.74 121.20 122.49 3kki s ILE 169 Ca 0.00 0.23 -0.21 0.00 0.00 0.00 0.00 60.65 60.67 3kki s ILE 169 Cb -0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 3kki s ILE 169 CO 0.00 0.27 0.63 -0.63 0.00 0.00 0.00 174.94 175.22 3kki s ILE 170 N 1.53 5.03 -0.16 2.92 1.01 0.82 0.04 121.20 132.38 3kki s ILE 170 Ca 0.08 1.21 0.01 0.00 0.00 0.00 0.00 60.65 61.95 3kki s ILE 170 Cb -0.15 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.39 3kki s ILE 170 CO 0.09 0.13 -0.16 -0.69 0.00 0.00 0.00 174.94 174.30 3kki s VAL 171 N 1.75 1.77 0.04 2.92 1.01 0.88 -0.46 120.40 128.32 3kki s VAL 171 Ca 0.30 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3kki s VAL 171 Cb -0.16 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3kki s VAL 171 CO 0.11 0.48 -0.01 0.68 0.00 0.00 0.00 175.10 176.36 3kki s VAL 172 N 1.40 0.19 0.19 2.92 -7.23 -0.78 -2.50 120.40 114.59 3kki s VAL 172 Ca 0.05 -1.53 -0.20 0.00 -1.81 0.00 0.00 61.98 58.48 3kki s VAL 172 Cb -0.13 -1.20 -0.08 0.00 0.56 0.00 0.00 36.38 35.53 3kki s VAL 172 CO -0.12 -0.85 0.69 -1.81 -0.31 0.00 0.00 175.10 172.71 3kki s ASP 173 N -2.55 7.08 0.03 4.85 1.11 -1.26 -1.14 116.67 124.78 3kki s ASP 173 Ca 0.01 1.39 -0.22 0.00 0.18 0.00 0.00 52.55 53.91 3kki s ASP 173 Cb 0.03 -2.41 -0.15 0.00 1.07 0.00 0.00 42.92 41.46 3kki s ASP 173 CO -0.08 0.10 1.39 0.77 1.18 0.00 0.00 175.17 178.53 3kki h SER 174 N 3.70 0.20 -3.35 0.27 4.64 -1.63 -3.38 113.55 114.01 3kki h SER 174 Ca -0.48 -0.40 -0.57 0.00 -0.47 0.00 0.00 61.79 59.87 3kki h SER 174 Cb 1.20 -0.06 -0.34 0.00 -0.31 0.00 0.00 62.40 62.89 3kki h SER 174 CO 0.65 0.55 -0.84 -0.63 -0.87 0.00 0.00 176.83 175.70 3kki s ILE 175 N -4.63 1.46 0.20 0.95 1.01 -1.26 -1.10 121.20 117.83 3kki s ILE 175 Ca -0.15 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 3kki s ILE 175 Cb 0.04 -1.31 -0.08 0.00 0.01 0.00 0.00 42.46 41.12 3kki s ILE 175 CO 0.71 0.43 0.93 -0.31 0.00 0.00 0.00 174.94 176.70 3kki s TYR 176 N 0.71 3.94 0.34 3.97 2.02 -0.37 -4.52 117.35 123.43 3kki s TYR 176 Ca -0.13 1.87 0.11 0.00 -0.37 0.00 0.00 57.07 58.56 3kki s TYR 176 Cb -0.16 -2.99 0.62 0.00 -0.40 0.00 0.00 41.96 39.03 3kki s TYR 176 CO 0.03 0.40 1.77 0.66 -1.57 0.00 0.00 175.55 176.84 3kki h SER 177 N 4.52 0.03 0.02 2.29 4.64 -1.92 -0.93 113.55 122.21 3kki h SER 177 Ca -0.45 -0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 60.49 3kki h SER 177 Cb 1.20 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 63.21 3kki h SER 177 CO 0.69 0.45 -2.39 0.35 -0.87 0.00 0.00 176.83 175.06 3kki n THR 178 N -4.04 1.43 -0.01 2.95 -2.24 -1.26 -4.69 114.28 106.43 3kki n THR 178 Ca -0.02 -0.77 0.07 0.00 -2.27 0.00 0.00 64.05 61.06 3kki n THR 178 Cb 0.45 -0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 67.80 3kki n THR 178 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kki n LEU 179 N -2.91 0.00 -0.33 3.22 4.77 -1.24 -4.23 117.00 116.28 3kki n LEU 179 Ca -0.36 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.57 3kki n LEU 179 Cb 1.11 0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 42.19 3kki n LEU 179 CO 0.38 0.01 -0.04 0.61 -1.33 0.00 0.00 177.39 177.02 3kki n GLY 180 N 1.68 0.64 3.75 -0.72 0.00 -0.35 -2.96 105.19 107.23 3kki n GLY 180 Ca -0.03 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3kki n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kki s THR 181 N -1.87 3.09 -0.11 2.61 -4.23 -1.26 -1.24 115.64 112.62 3kki s THR 181 Ca 0.00 0.35 0.01 0.00 -1.18 0.00 0.00 61.69 60.87 3kki s THR 181 Cb 0.00 -2.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 3kki s THR 181 CO 0.00 -0.46 -0.14 -0.63 -0.54 0.00 0.00 174.62 172.85 3kki s ILE 182 N -2.90 3.00 0.47 2.99 1.01 -1.26 -1.24 121.20 123.27 3kki s ILE 182 Ca 0.62 -0.69 -0.23 0.00 0.00 0.00 0.00 60.65 60.35 3kki s ILE 182 Cb -0.18 -2.24 -0.07 0.00 0.01 0.00 0.00 42.46 39.99 3kki s ILE 182 CO 0.56 0.54 1.21 0.00 0.00 0.00 0.00 174.94 177.25 3kki s ALA 183 N 0.12 2.97 -1.28 9.38 0.00 -0.26 -4.90 121.76 127.79 3kki s ALA 183 Ca -0.07 1.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 3kki s ALA 183 Cb -0.15 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3kki s ALA 183 CO 0.05 -0.79 2.11 -0.35 0.00 0.00 0.00 175.76 176.77 3kki n PRO 184 N -0.51 2.53 -0.36 0.00 -0.04 -1.26 -4.78 135.00 130.57 3kki n PRO 184 Ca 0.07 -2.48 -0.01 0.00 -0.04 0.00 0.00 63.50 61.05 3kki n PRO 184 Cb 0.47 -3.23 0.13 0.00 -0.04 0.00 0.00 33.50 30.83 3kki n PRO 184 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3kki h LEU 185 N 11.33 1.11 -0.24 1.53 3.38 -1.95 -0.41 115.31 130.07 3kki h LEU 185 Ca 0.52 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 3kki h LEU 185 Cb 0.67 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3kki h LEU 185 CO 1.85 0.79 0.11 0.00 0.09 0.00 0.00 178.44 181.29 3kki h ALA 186 N 1.40 0.31 -0.66 1.53 0.00 -1.98 -0.60 119.26 119.26 3kki h ALA 186 Ca 0.37 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3kki h ALA 186 Cb -0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3kki h ALA 186 CO -0.09 -0.13 0.17 1.49 0.00 0.00 0.00 179.25 180.69 3kki h GLU 187 N 0.25 1.03 -0.82 0.00 4.81 -1.82 -2.07 114.58 115.97 3kki h GLU 187 Ca 0.08 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 3kki h GLU 187 Cb 0.13 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 3kki h GLU 187 CO -0.01 0.91 0.39 -0.07 -0.73 0.00 0.00 179.01 179.50 3kki h LEU 188 N 0.99 1.06 -0.31 1.64 3.38 -0.82 -0.20 115.31 121.05 3kki h LEU 188 Ca 0.21 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kki h LEU 188 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3kki h LEU 188 CO -0.00 0.89 0.17 0.58 0.09 0.00 0.00 178.44 180.17 3kki h VAL 189 N 1.16 1.13 -0.44 1.22 2.07 -0.81 -0.31 116.25 120.27 3kki h VAL 189 Ca 0.28 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.54 3kki h VAL 189 Cb 0.11 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3kki h VAL 189 CO -0.04 0.13 0.12 0.78 0.02 0.00 0.00 177.57 178.58 3kki h ASN 190 N 0.38 0.09 -0.46 0.57 2.35 -0.91 -1.61 115.58 115.98 3kki h ASN 190 Ca 0.11 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3kki h ASN 190 Cb 0.05 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3kki h ASN 190 CO -0.02 0.08 0.21 0.40 -1.65 0.00 0.00 177.43 176.45 3kki h ILE 191 N 0.27 1.19 -1.00 2.81 2.04 -0.85 0.36 117.51 122.34 3kki h ILE 191 Ca 0.21 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.63 3kki h ILE 191 Cb 0.24 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 3kki h ILE 191 CO -0.25 0.21 0.63 -1.28 0.00 0.00 0.00 178.15 177.47 3kki h SER 192 N 0.60 0.94 -0.18 1.72 0.87 -0.69 -0.61 113.55 116.20 3kki h SER 192 Ca 0.16 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 3kki h SER 192 Cb 0.14 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3kki h SER 192 CO -0.02 0.51 -0.30 0.11 -0.53 0.00 0.00 176.83 176.61 3kki h LYS 193 N 1.02 0.52 -0.14 2.24 1.57 -0.84 0.25 116.57 121.19 3kki h LYS 193 Ca 0.49 -0.32 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 3kki h LYS 193 Cb 0.45 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3kki h LYS 193 CO -0.25 0.92 0.12 1.49 -0.57 0.00 0.00 179.45 181.15 3kki h GLU 194 N 0.17 0.00 0.00 3.15 4.81 0.10 -3.18 114.58 119.64 3kki h GLU 194 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kki h GLU 194 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3kki h GLU 194 CO 0.07 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.54 3kki n PHE 195 N -4.18 0.00 -2.85 0.92 3.01 -0.37 -5.04 117.46 108.95 3kki n PHE 195 Ca 0.00 -0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.38 3kki n PHE 195 Cb 0.24 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.74 3kki n PHE 195 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kki n GLY 196 N -0.00 0.35 3.98 1.37 0.00 -0.46 -4.57 105.19 105.86 3kki n GLY 196 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 3kki n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kki s ALA 198 N -2.31 3.90 -0.10 0.00 0.00 -0.71 -4.75 121.76 117.80 3kki s ALA 198 Ca 0.50 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.65 3kki s ALA 198 Cb -0.09 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 3kki s ALA 198 CO 0.31 0.78 -0.19 -1.17 0.00 0.00 0.00 175.76 175.49 3kki s LEU 199 N -2.26 2.37 -0.17 0.00 2.96 -1.26 -0.13 118.68 120.19 3kki s LEU 199 Ca 0.31 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3kki s LEU 199 Cb -0.13 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.10 3kki s LEU 199 CO 0.23 0.20 -0.16 -0.22 -1.32 0.00 0.00 176.35 175.08 3kki s LEU 200 N 0.15 1.97 -0.18 -0.68 0.20 0.39 -2.05 118.68 118.47 3kki s LEU 200 Ca -0.10 -0.62 -0.00 0.00 0.69 0.00 0.00 54.13 54.10 3kki s LEU 200 Cb -0.16 -1.32 0.01 0.00 -0.43 0.00 0.00 46.19 44.30 3kki s LEU 200 CO 0.06 -0.05 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.23 3kki s VAL 201 N 1.39 2.47 -0.52 1.68 1.01 -0.76 -1.86 120.40 123.81 3kki s VAL 201 Ca 0.04 -0.81 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 3kki s VAL 201 Cb -0.13 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.23 3kki s VAL 201 CO -0.11 0.51 0.76 -0.62 0.00 0.00 0.00 175.10 175.63 3kki s ASP 202 N 1.25 6.28 -0.33 3.32 -1.08 -0.30 -1.30 116.67 124.52 3kki s ASP 202 Ca 0.03 -0.62 0.04 0.00 -0.52 0.00 0.00 52.55 51.48 3kki s ASP 202 Cb -0.14 -2.35 0.54 0.00 -1.46 0.00 0.00 42.92 39.51 3kki s ASP 202 CO -0.08 -1.02 1.69 -0.62 0.52 0.00 0.00 175.17 175.66 3kki n GLU 203 N 6.71 2.27 -0.24 4.34 1.02 0.51 -1.53 120.64 133.73 3kki n GLU 203 Ca -0.03 -2.39 0.17 0.00 -0.02 0.00 0.00 57.16 54.90 3kki n GLU 203 Cb 0.46 -1.95 0.48 0.00 -0.02 0.00 0.00 31.44 30.41 3kki n GLU 203 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3kki h SER 204 N 1.11 0.47 -0.36 1.62 0.02 -1.86 0.36 113.55 114.90 3kki h SER 204 Ca 0.44 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 3kki h SER 204 Cb 2.37 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.86 3kki h SER 204 CO 0.81 0.21 0.00 1.41 -1.14 0.00 0.00 176.83 178.12 3kki n HIS 205 N -4.53 0.47 0.00 3.45 8.25 -1.26 -4.42 115.22 117.18 3kki n HIS 205 Ca 0.18 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3kki n HIS 205 Cb 0.62 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 3kki n HIS 205 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3kki n SER 206 N 1.26 4.81 -4.68 0.41 3.41 -0.83 -4.86 113.62 113.13 3kki n SER 206 Ca 0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.36 3kki n SER 206 Cb 0.54 0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 65.16 3kki n SER 206 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3kki s LEU 207 N -3.44 4.37 0.00 1.04 2.96 0.06 -1.41 118.68 122.26 3kki s LEU 207 Ca 0.00 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 3kki s LEU 207 Cb 0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.13 3kki s LEU 207 CO 0.00 -0.92 0.00 0.61 -1.32 0.00 0.00 176.35 174.72 3kki n GLY 208 N 4.07 2.75 0.07 7.98 0.00 0.92 -4.55 105.19 116.43 3kki n GLY 208 Ca 0.16 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.99 3kki n GLY 208 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kki n THR 209 N 0.00 0.68 -4.32 2.61 -2.24 -1.01 -4.53 114.28 105.47 3kki n THR 209 Ca 0.00 -0.61 -0.20 0.00 -2.27 0.00 0.00 64.05 60.97 3kki n THR 209 Cb 0.00 -0.36 -0.11 0.00 -2.10 0.00 0.00 70.33 67.76 3kki n THR 209 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kki s HIS 210 N -3.18 1.71 0.00 4.78 3.76 -0.50 -4.91 115.29 116.96 3kki s HIS 210 Ca -0.05 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 3kki s HIS 210 Cb 0.10 -0.83 0.00 0.00 1.11 0.00 0.00 32.58 32.96 3kki s HIS 210 CO 0.84 0.32 0.00 0.41 -0.85 0.00 0.00 174.74 175.46 3kki n GLY 211 N 0.04 -1.05 3.68 -2.22 0.00 -1.23 -0.52 105.19 103.89 3kki n GLY 211 Ca -0.11 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 3kki n GLY 211 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kki s PRO 212 N -1.57 4.18 -1.93 1.61 0.04 -1.26 -1.94 135.00 134.13 3kki s PRO 212 Ca 0.00 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.41 3kki s PRO 212 Cb 0.00 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.77 3kki s PRO 212 CO 0.00 -0.80 0.00 0.09 0.04 0.00 0.00 177.00 176.33 3kki n ASN 213 N 6.23 -4.95 -0.16 6.66 3.02 -1.26 -1.48 115.26 123.31 3kki n ASN 213 Ca 0.17 0.41 -0.02 0.00 -0.03 0.00 0.00 54.58 55.11 3kki n ASN 213 Cb 0.41 -4.39 -0.01 0.00 -0.61 0.00 0.00 39.78 35.18 3kki n ASN 213 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kki n GLY 214 N -0.42 0.54 0.02 7.41 0.00 -0.82 -3.96 105.19 107.96 3kki n GLY 214 Ca -0.19 -0.94 0.07 0.00 0.00 0.00 0.00 46.02 44.96 3kki n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kki n ALA 215 N 1.04 1.54 0.00 4.61 0.00 -0.55 -0.06 120.51 127.09 3kki n ALA 215 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3kki n ALA 215 Cb 0.07 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3kki n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kki n GLY 216 N -0.27 1.16 0.20 0.00 0.00 0.33 -4.57 105.19 102.03 3kki n GLY 216 Ca 0.03 -2.22 -0.13 0.00 0.00 0.00 0.00 46.02 43.70 3kki n GLY 216 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kki h LEU 217 N 0.00 0.68 -0.71 0.99 5.85 -1.78 -0.57 115.31 119.78 3kki h LEU 217 Ca 0.00 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3kki h LEU 217 Cb 0.00 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3kki h LEU 217 CO 0.00 1.21 0.42 -0.07 -0.34 0.00 0.00 178.44 179.65 3kki h LEU 218 N 0.40 0.86 -0.61 2.25 3.38 -1.96 -0.86 115.31 118.76 3kki h LEU 218 Ca -0.04 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3kki h LEU 218 Cb 1.33 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3kki h LEU 218 CO 0.14 0.68 0.01 0.00 0.09 0.00 0.00 178.44 179.35 3kki h ALA 219 N 1.22 0.82 -0.88 1.53 0.00 -1.77 0.07 119.26 120.24 3kki h ALA 219 Ca 0.25 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3kki h ALA 219 Cb -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 3kki h ALA 219 CO -0.05 0.66 0.56 1.49 0.00 0.00 0.00 179.25 181.91 3kki h GLU 220 N 0.97 1.03 -0.10 0.00 4.81 -0.62 -2.64 114.58 118.04 3kki h GLU 220 Ca 0.17 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3kki h GLU 220 Cb 0.55 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3kki h GLU 220 CO 0.03 0.68 0.00 1.28 -0.73 0.00 0.00 179.01 180.27 3kki n LEU 221 N -4.56 2.11 -2.42 1.64 4.77 -0.37 -4.95 117.00 113.21 3kki n LEU 221 Ca 0.12 -0.78 -0.18 0.00 -0.03 0.00 0.00 56.01 55.14 3kki n LEU 221 Cb 0.13 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3kki n LEU 221 CO 0.33 0.39 -0.04 0.61 -1.33 0.00 0.00 177.39 177.35 3kki n GLY 222 N 1.24 -0.31 0.53 -0.72 0.00 -0.62 -4.92 105.19 100.40 3kki n GLY 222 Ca 0.17 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.23 3kki n GLY 222 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kki n LEU 223 N -3.21 2.04 -0.29 0.99 4.77 -0.09 -4.71 117.00 116.51 3kki n LEU 223 Ca -0.11 -0.86 0.03 0.00 -0.03 0.00 0.00 56.01 55.04 3kki n LEU 223 Cb 0.61 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.81 3kki n LEU 223 CO 0.36 0.37 0.70 0.74 -1.33 0.00 0.00 177.39 178.24 3kki h THR 224 N 2.60 0.17 0.00 -5.08 2.02 -1.91 0.00 112.91 110.72 3kki h THR 224 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kki h THR 224 Cb 0.67 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3kki h THR 224 CO 0.00 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.43 3kki n ARG 225 N -5.53 0.45 -0.09 6.66 5.12 -1.26 -2.77 116.66 119.24 3kki n ARG 225 Ca 0.12 0.04 0.07 0.00 -1.93 0.00 0.00 57.85 56.15 3kki n ARG 225 Cb 0.43 -1.50 0.11 0.00 -1.16 0.00 0.00 32.46 30.34 3kki n ARG 225 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3kki n GLU 226 N -1.23 1.69 -4.58 5.56 1.02 -0.02 -4.96 120.64 118.12 3kki n GLU 226 Ca 0.14 -1.67 -0.34 0.00 -0.02 0.00 0.00 57.16 55.27 3kki n GLU 226 Cb 0.18 -1.29 -0.12 0.00 -0.02 0.00 0.00 31.44 30.18 3kki n GLU 226 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kki s VAL 227 N -1.09 3.61 0.02 2.62 1.01 -1.12 -4.94 120.40 120.51 3kki s VAL 227 Ca 0.21 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 3kki s VAL 227 Cb 0.13 -2.52 -0.23 0.00 0.00 0.00 0.00 36.38 33.75 3kki s VAL 227 CO 0.18 0.54 1.12 0.45 0.00 0.00 0.00 175.10 177.39 3kki h HIS 228 N 6.15 0.71 -3.73 5.22 3.86 -1.87 -3.41 115.15 122.08 3kki h HIS 228 Ca -0.36 -0.39 -0.24 0.00 -1.16 0.00 0.00 60.37 58.22 3kki h HIS 228 Cb 1.19 -0.08 -0.28 0.00 1.06 0.00 0.00 27.41 29.29 3kki h HIS 228 CO 0.53 1.21 -0.72 -0.06 0.86 0.00 0.00 177.93 179.75 3kki s PHE 229 N -3.23 0.05 0.04 2.45 0.08 -0.87 -1.56 117.98 114.94 3kki s PHE 229 Ca -0.12 -0.00 0.04 0.00 0.12 0.00 0.00 56.93 56.96 3kki s PHE 229 Cb 0.04 -0.05 -0.02 0.00 -0.57 0.00 0.00 43.02 42.43 3kki s PHE 229 CO 0.85 -0.01 -0.11 0.00 -0.10 0.00 0.00 175.22 175.85 3kki s MET 230 N 0.05 0.74 0.18 0.44 0.23 -0.56 -1.82 119.30 118.56 3kki s MET 230 Ca -0.00 -0.69 0.04 0.00 -1.03 0.00 0.00 55.69 54.01 3kki s MET 230 Cb -0.01 -0.68 -0.05 0.00 -1.53 0.00 0.00 34.83 32.56 3kki s MET 230 CO -0.00 0.16 -0.05 0.95 -2.03 0.00 0.00 175.02 174.05 3kki s THR 231 N -0.91 1.06 -0.22 3.16 -4.23 -0.42 -0.06 115.64 114.02 3kki s THR 231 Ca -0.02 -2.04 -0.27 0.00 -1.18 0.00 0.00 61.69 58.19 3kki s THR 231 Cb -0.08 -2.09 0.09 0.00 1.34 0.00 0.00 72.50 71.76 3kki s THR 231 CO 0.01 -0.54 0.81 0.00 -0.54 0.00 0.00 174.62 174.36 3kki s ALA 232 N -3.40 -1.84 0.32 3.99 0.00 -0.86 -0.36 121.76 119.62 3kki s ALA 232 Ca 0.22 1.81 -0.28 0.00 0.00 0.00 0.00 51.96 53.71 3kki s ALA 232 Cb 0.04 -0.96 -0.10 0.00 0.00 0.00 0.00 23.12 22.11 3kki s ALA 232 CO 0.04 -0.32 1.22 0.45 0.00 0.00 0.00 175.76 177.15 3kki s SER 233 N -0.11 6.90 -0.02 0.00 0.15 -1.26 -0.91 113.70 118.45 3kki s SER 233 Ca -0.02 2.50 0.19 0.00 0.70 0.00 0.00 55.95 59.33 3kki s SER 233 Cb -0.04 -2.64 0.58 0.00 -1.71 0.00 0.00 66.02 62.22 3kki s SER 233 CO 0.01 -0.43 1.48 0.18 1.20 0.00 0.00 173.24 175.69 3kki n LEU 234 N 0.82 3.60 -1.15 3.45 4.77 0.58 -4.30 117.00 124.77 3kki n LEU 234 Ca 0.00 -1.80 0.09 0.00 -0.03 0.00 0.00 56.01 54.27 3kki n LEU 234 Cb 0.43 -0.45 0.27 0.00 -2.33 0.00 0.00 43.42 41.34 3kki n LEU 234 CO 0.56 0.83 0.72 0.00 -1.33 0.00 0.00 177.39 178.18 3kki n ALA 235 N 1.30 2.56 -2.00 -1.18 0.00 -0.62 -0.42 120.51 120.15 3kki n ALA 235 Ca 0.22 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3kki n ALA 235 Cb 0.59 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3kki n ALA 235 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kki n LYS 236 N 1.13 0.00 -0.06 0.00 4.76 -1.26 -4.53 118.16 118.20 3kki n LYS 236 Ca 0.20 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.65 3kki n LYS 236 Cb 0.56 0.00 0.32 0.00 -1.84 0.00 0.00 35.03 34.07 3kki n LYS 236 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3kki h THR 237 N 0.00 1.16 0.00 -0.18 2.02 -1.79 -1.93 112.91 112.19 3kki h THR 237 Ca 0.00 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3kki h THR 237 Cb 0.00 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3kki h THR 237 CO 0.00 0.19 0.00 0.49 0.37 0.00 0.00 175.52 176.57 3kki n PHE 238 N -4.38 0.00 -3.97 3.16 3.01 -1.24 -4.72 117.46 109.31 3kki n PHE 238 Ca 0.04 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.20 3kki n PHE 238 Cb 0.13 -0.48 0.01 0.00 -0.01 0.00 0.00 39.48 39.12 3kki n PHE 238 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kki n ALA 239 N -1.48 -1.47 -3.10 4.37 0.00 -0.72 -4.87 120.51 113.23 3kki n ALA 239 Ca 0.05 0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 3kki n ALA 239 Cb 0.23 -3.49 -0.11 0.00 0.00 0.00 0.00 19.45 16.09 3kki n ALA 239 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3kki s TYR 240 N -3.44 -0.06 -1.27 0.00 5.04 0.44 -4.91 117.35 113.15 3kki s TYR 240 Ca 0.51 0.13 -0.19 0.00 -2.44 0.00 0.00 57.07 55.08 3kki s TYR 240 Cb -0.26 0.01 0.03 0.00 0.35 0.00 0.00 41.96 42.08 3kki s TYR 240 CO 0.86 -0.22 1.81 -2.13 -1.34 0.00 0.00 175.55 174.53 3kki n ARG 241 N 2.01 2.79 -3.83 4.97 0.63 -1.26 -1.59 116.66 120.38 3kki n ARG 241 Ca -0.19 -3.04 -0.07 0.00 -0.92 0.00 0.00 57.85 53.63 3kki n ARG 241 Cb 0.57 -3.54 0.02 0.00 0.45 0.00 0.00 32.46 29.96 3kki n ARG 241 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kki s ALA 242 N 5.78 -1.04 0.29 5.13 0.00 -1.24 -4.72 121.76 125.96 3kki s ALA 242 Ca 0.57 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 3kki s ALA 242 Cb 0.04 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 3kki s ALA 242 CO 0.09 -1.01 0.44 0.20 0.00 0.00 0.00 175.76 175.47 3kki s GLY 243 N -3.17 1.15 -0.04 0.00 0.00 -0.38 -0.30 107.32 104.58 3kki s GLY 243 Ca 0.17 -1.31 -0.18 0.00 0.00 0.00 0.00 44.72 43.40 3kki s GLY 243 CO 0.09 -0.91 0.39 0.00 0.00 0.00 0.00 173.10 172.67 3kki s ALA 244 N -3.50 -1.00 -0.16 3.20 0.00 -0.09 -0.83 121.76 119.38 3kki s ALA 244 Ca 0.29 0.62 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 3kki s ALA 244 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 3kki s ALA 244 CO 0.15 -0.27 -0.13 0.42 0.00 0.00 0.00 175.76 175.93 3kki s ILE 245 N -1.10 2.86 -0.09 0.00 1.01 -0.36 -2.02 121.20 121.50 3kki s ILE 245 Ca -0.11 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.83 3kki s ILE 245 Cb -0.04 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 3kki s ILE 245 CO 0.05 0.50 -0.06 0.26 0.00 0.00 0.00 174.94 175.70 3kki s TRP 246 N 0.80 2.98 -0.01 3.97 0.51 0.92 -0.40 118.94 127.71 3kki s TRP 246 Ca -0.05 -0.05 0.04 0.00 -2.12 0.00 0.00 56.10 53.92 3kki s TRP 246 Cb -0.15 -1.78 -0.01 0.00 -0.81 0.00 0.00 33.47 30.72 3kki s TRP 246 CO 0.01 0.25 -0.12 0.00 -0.51 0.00 0.00 176.95 176.57 3kki n ASN 248 N 2.79 7.61 -1.25 0.00 3.02 -0.60 -1.94 115.26 124.89 3kki n ASN 248 Ca -0.14 -3.82 0.00 0.00 -0.03 0.00 0.00 54.58 50.60 3kki n ASN 248 Cb 0.56 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 3kki n ASN 248 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3kki n ASN 249 N -0.69 -0.13 -0.66 6.41 0.23 -1.26 -4.95 115.26 114.20 3kki n ASN 249 Ca 0.58 -1.05 0.09 0.00 -0.53 0.00 0.00 54.58 53.67 3kki n ASN 249 Cb 0.41 0.21 0.27 0.00 -2.08 0.00 0.00 39.78 38.59 3kki n ASN 249 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3kki n GLU 250 N -0.08 1.85 -0.12 -3.83 0.00 -1.26 -4.48 120.64 112.71 3kki n GLU 250 Ca 0.00 -1.30 0.05 0.00 0.00 0.00 0.00 57.16 55.91 3kki n GLU 250 Cb 0.05 -1.36 0.37 0.00 0.00 0.00 0.00 31.44 30.51 3kki n GLU 250 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3kki h VAL 251 N 2.36 1.06 0.00 3.84 2.07 -1.97 -1.28 116.25 122.34 3kki h VAL 251 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3kki h VAL 251 Cb 0.53 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3kki h VAL 251 CO 0.00 0.13 0.00 0.59 0.02 0.00 0.00 177.57 178.31 3kki n ASN 252 N -4.47 0.37 0.19 0.57 3.02 -1.26 -0.98 115.26 112.71 3kki n ASN 252 Ca 0.08 0.61 0.05 0.00 -0.03 0.00 0.00 54.58 55.29 3kki n ASN 252 Cb 0.16 -0.68 0.39 0.00 -0.61 0.00 0.00 39.78 39.04 3kki n ASN 252 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3kki h ARG 253 N 0.00 0.00 0.00 3.52 3.08 -1.57 -3.37 114.38 116.04 3kki h ARG 253 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 3kki h ARG 253 Cb 0.25 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.24 3kki h ARG 253 CO 0.00 0.35 -2.35 0.00 -1.07 0.00 0.00 179.97 176.90 3kki h VAL 255 N 0.00 0.19 0.00 0.00 2.07 -1.50 -1.12 116.25 115.89 3kki h VAL 255 Ca -0.53 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3kki h VAL 255 Cb 1.96 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3kki h VAL 255 CO -0.04 0.01 0.00 -0.65 0.02 0.00 0.00 177.57 176.91 3kki h PRO 256 N 0.06 0.00 -0.01 1.57 0.11 -1.81 -0.72 132.00 131.20 3kki h PRO 256 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3kki h PRO 256 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3kki h PRO 256 CO -0.80 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.18 3kki n PHE 257 N -2.62 0.00 -0.01 0.65 3.01 -0.45 -4.32 117.46 113.73 3kki n PHE 257 Ca -0.02 -0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.42 3kki n PHE 257 Cb 0.08 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.54 3kki n PHE 257 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3kki n ILE 258 N 0.58 0.13 -1.79 4.37 5.41 -0.73 -5.02 119.36 122.31 3kki n ILE 258 Ca 0.06 -0.04 -0.42 0.00 1.00 0.00 0.00 62.75 63.35 3kki n ILE 258 Cb 0.26 -1.34 -0.03 0.00 -0.71 0.00 0.00 39.64 37.82 3kki n ILE 258 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3kki s SER 259 N -5.02 6.50 0.09 4.38 0.15 -0.35 -4.93 113.70 114.53 3kki s SER 259 Ca -0.03 2.61 -0.21 0.00 0.70 0.00 0.00 55.95 59.02 3kki s SER 259 Cb 0.01 -2.55 -0.11 0.00 -1.71 0.00 0.00 66.02 61.65 3kki s SER 259 CO 0.05 -0.97 1.69 1.88 1.20 0.00 0.00 173.24 177.08 3kki h TYR 260 N 9.03 0.15 -0.62 3.44 0.05 -1.92 0.49 116.97 127.59 3kki h TYR 260 Ca -0.45 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.40 3kki h TYR 260 Cb 1.21 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.87 3kki h TYR 260 CO 0.83 0.17 0.41 -1.35 -1.05 0.00 0.00 178.16 177.17 3kki h PRO 261 N 0.09 0.53 -0.14 4.88 0.11 -1.93 0.41 132.00 135.95 3kki h PRO 261 Ca 0.04 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 3kki h PRO 261 Cb 0.07 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3kki h PRO 261 CO -0.01 0.35 -0.53 0.00 -0.21 0.00 0.00 178.00 177.61 3kki h ALA 262 N 1.67 0.83 0.00 -0.75 0.00 -1.72 -2.65 119.26 116.64 3kki h ALA 262 Ca 0.27 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3kki h ALA 262 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kki h ALA 262 CO -0.08 0.68 -0.00 0.82 0.00 0.00 0.00 179.25 180.67 3kki h ILE 263 N 0.32 1.46 -0.03 0.00 2.04 -0.26 -3.34 117.51 117.71 3kki h ILE 263 Ca 0.01 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.78 3kki h ILE 263 Cb 1.03 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 3kki h ILE 263 CO 0.09 0.49 -0.01 0.49 0.00 0.00 0.00 178.15 179.21 3kki n PHE 264 N -4.64 0.00 -4.93 1.37 3.01 0.14 -4.56 117.46 107.84 3kki n PHE 264 Ca -0.08 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.06 3kki n PHE 264 Cb 0.39 -0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.72 3kki n PHE 264 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3kki s SER 265 N -2.01 3.80 0.57 4.37 0.15 -1.00 -5.02 113.70 114.55 3kki s SER 265 Ca 0.29 -0.29 -0.21 0.00 0.70 0.00 0.00 55.95 56.45 3kki s SER 265 Cb 0.20 -0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 63.76 3kki s SER 265 CO 0.31 0.32 1.31 -0.55 1.20 0.00 0.00 173.24 175.83 3kki s SER 266 N -0.84 5.17 0.66 5.45 0.15 -1.26 -4.46 113.70 118.57 3kki s SER 266 Ca 0.12 2.64 -0.14 0.00 0.70 0.00 0.00 55.95 59.27 3kki s SER 266 Cb -0.10 -2.62 -0.00 0.00 -1.71 0.00 0.00 66.02 61.58 3kki s SER 266 CO 0.01 -1.63 1.08 0.28 1.20 0.00 0.00 173.24 174.18 3kki s THR 267 N -1.38 3.60 0.36 6.45 -1.32 -0.92 -4.90 115.64 117.53 3kki s THR 267 Ca 0.74 0.68 -0.28 0.00 -1.21 0.00 0.00 61.69 61.62 3kki s THR 267 Cb -0.37 -3.23 -0.12 0.00 -1.51 0.00 0.00 72.50 67.27 3kki s THR 267 CO 0.43 -0.53 1.41 0.18 -2.21 0.00 0.00 174.62 173.90 3kki n LEU 268 N -2.55 4.26 -4.81 9.08 4.32 -1.26 -4.94 117.00 121.10 3kki n LEU 268 Ca 0.09 1.22 -0.33 0.00 -0.02 0.00 0.00 56.01 56.97 3kki n LEU 268 Cb 0.53 -1.56 -0.05 0.00 -1.62 0.00 0.00 43.42 40.72 3kki n LEU 268 CO 0.50 -0.10 0.68 -0.76 -1.22 0.00 0.00 177.39 176.49 3kki s LEU 269 N -1.59 3.84 0.36 2.23 2.01 -1.26 -4.95 118.68 119.32 3kki s LEU 269 Ca 0.54 1.78 0.11 0.00 0.01 0.00 0.00 54.13 56.58 3kki s LEU 269 Cb -0.52 -4.54 0.89 0.00 0.01 0.00 0.00 46.19 42.03 3kki s LEU 269 CO 0.63 -0.61 1.81 -0.65 1.01 0.00 0.00 176.35 178.54 3kki h PRO 270 N 1.56 0.59 0.00 1.29 0.11 -1.94 -0.07 132.00 133.54 3kki h PRO 270 Ca -0.49 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 3kki h PRO 270 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3kki h PRO 270 CO 0.60 0.39 -0.23 0.10 -0.21 0.00 0.00 178.00 178.65 3kki h TYR 271 N 0.61 0.00 -0.35 0.65 -0.00 -1.93 -2.50 116.97 113.45 3kki h TYR 271 Ca 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 59.20 3kki h TYR 271 Cb 1.02 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.74 3kki h TYR 271 CO -0.00 0.23 -0.01 0.93 -0.00 0.00 0.00 178.16 179.30 3kki h GLU 272 N 0.00 0.62 -0.96 0.10 5.08 -1.38 -2.46 114.58 115.59 3kki h GLU 272 Ca -0.00 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3kki h GLU 272 Cb 0.47 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 3kki h GLU 272 CO 0.03 0.75 0.63 0.00 -1.00 0.00 0.00 179.01 179.42 3kki h ALA 273 N 0.85 1.37 -0.58 3.43 0.00 -1.38 -2.52 119.26 120.43 3kki h ALA 273 Ca 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3kki h ALA 273 Cb 0.48 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3kki h ALA 273 CO 0.02 0.55 0.21 0.00 0.00 0.00 0.00 179.25 180.03 3kki h ALA 274 N 1.43 0.76 -0.96 0.00 0.00 -1.30 -2.77 119.26 116.41 3kki h ALA 274 Ca 0.37 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3kki h ALA 274 Cb -0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 3kki h ALA 274 CO -0.11 0.39 0.63 0.78 0.00 0.00 0.00 179.25 180.94 3kki h GLY 275 N 0.81 1.41 1.94 0.00 0.00 -1.09 -2.09 103.07 104.06 3kki h GLY 275 Ca 0.19 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 3kki h GLY 275 CO -0.01 0.37 -0.13 1.41 0.00 0.00 0.00 176.54 178.19 3kki h LEU 276 N 1.17 0.07 -0.56 3.11 3.38 -1.19 -2.14 115.31 119.14 3kki h LEU 276 Ca 0.40 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 3kki h LEU 276 Cb 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3kki h LEU 276 CO -0.14 0.20 0.18 -0.33 0.09 0.00 0.00 178.44 178.45 3kki h GLU 277 N 0.07 0.87 -0.41 1.13 5.08 -1.18 -0.69 114.58 119.45 3kki h GLU 277 Ca 0.01 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 3kki h GLU 277 Cb 0.27 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3kki h GLU 277 CO 0.02 0.79 -0.03 1.15 -1.00 0.00 0.00 179.01 179.93 3kki h THR 278 N 0.79 1.27 -0.67 1.13 2.02 -1.47 -2.60 112.91 113.38 3kki h THR 278 Ca 0.18 -1.08 0.07 0.00 0.77 0.00 0.00 66.41 66.36 3kki h THR 278 Cb 0.27 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 3kki h THR 278 CO -0.01 0.36 0.35 0.74 0.37 0.00 0.00 175.52 177.34 3kki h THR 279 N 0.57 0.92 -0.54 3.16 2.02 -1.17 -1.24 112.91 116.63 3kki h THR 279 Ca 0.11 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 3kki h THR 279 Cb 0.53 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3kki h THR 279 CO 0.03 0.12 0.32 0.25 0.37 0.00 0.00 175.52 176.60 3kki h LEU 280 N 0.63 0.65 -0.89 2.58 5.85 -1.05 -0.50 115.31 122.59 3kki h LEU 280 Ca 0.31 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3kki h LEU 280 Cb 0.25 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3kki h LEU 280 CO -0.22 0.53 0.41 -0.33 -0.34 0.00 0.00 178.44 178.49 3kki h GLU 281 N 0.72 1.21 -0.43 1.25 5.08 -1.00 -0.28 114.58 121.14 3kki h GLU 281 Ca 0.19 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 3kki h GLU 281 Cb 0.00 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3kki h GLU 281 CO -0.03 0.93 -0.11 0.82 -1.00 0.00 0.00 179.01 179.61 3kki h ILE 282 N 1.20 1.27 -0.57 3.13 2.04 -0.92 -3.01 117.51 120.65 3kki h ILE 282 Ca 0.29 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 3kki h ILE 282 Cb 0.11 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3kki h ILE 282 CO -0.04 0.41 0.24 0.40 0.00 0.00 0.00 178.15 179.17 3kki h ILE 283 N 0.66 1.22 -0.56 -0.67 2.04 -0.82 -2.18 117.51 117.20 3kki h ILE 283 Ca 0.11 -0.67 0.09 0.00 1.00 0.00 0.00 64.86 65.39 3kki h ILE 283 Cb 0.65 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3kki h ILE 283 CO 0.04 0.26 0.38 -0.33 0.00 0.00 0.00 178.15 178.50 3kki h GLU 284 N 0.79 0.40 -0.02 2.37 5.08 -0.97 -1.93 114.58 120.29 3kki h GLU 284 Ca 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3kki h GLU 284 Cb 0.18 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3kki h GLU 284 CO -0.02 0.26 -0.28 -1.13 -1.00 0.00 0.00 179.01 176.85 3kki n SER 285 N -4.47 1.79 -1.74 1.42 3.41 -1.07 -4.62 113.62 108.34 3kki n SER 285 Ca 0.09 -1.39 -0.07 0.00 -0.26 0.00 0.00 58.87 57.24 3kki n SER 285 Cb 0.34 0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 3kki n SER 285 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kki n ALA 286 N 0.00 4.90 -0.30 7.33 0.00 -0.73 -4.48 120.51 127.23 3kki n ALA 286 Ca 0.12 -0.87 -0.01 0.00 0.00 0.00 0.00 53.44 52.68 3kki n ALA 286 Cb 0.44 -1.45 0.11 0.00 0.00 0.00 0.00 19.45 18.55 3kki n ALA 286 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kki h ASP 287 N 1.69 0.84 -0.18 0.00 3.32 -1.82 -2.57 116.42 117.70 3kki h ASP 287 Ca 0.11 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.18 3kki h ASP 287 Cb 1.10 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 3kki h ASP 287 CO 0.21 0.57 0.04 -0.55 -1.72 0.00 0.00 179.24 177.80 3kki h ASN 288 N 0.99 0.03 -0.22 6.45 -1.07 -2.00 -2.33 115.58 117.43 3kki h ASN 288 Ca 0.34 0.02 -0.09 0.00 0.07 0.00 0.00 56.30 56.65 3kki h ASN 288 Cb 0.06 0.03 -0.02 0.00 -2.07 0.00 0.00 38.32 36.32 3kki h ASN 288 CO -0.13 0.04 -0.15 0.03 0.07 0.00 0.00 177.43 177.29 3kki h ARG 289 N 0.12 0.63 -0.55 4.14 3.08 -1.89 -2.39 114.38 117.52 3kki h ARG 289 Ca 0.08 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 3kki h ARG 289 Cb 0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3kki h ARG 289 CO -0.10 0.76 0.04 0.00 -1.07 0.00 0.00 179.97 179.60 3kki h ARG 290 N 0.57 0.94 -0.28 0.04 3.08 -1.32 -1.56 114.38 115.86 3kki h ARG 290 Ca 0.10 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 3kki h ARG 290 Cb 0.58 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3kki h ARG 290 CO 0.04 0.93 -0.11 0.37 -1.07 0.00 0.00 179.97 180.12 3kki h GLN 291 N 0.82 0.57 -0.47 0.04 4.15 -1.28 -1.32 115.11 117.61 3kki h GLN 291 Ca 0.16 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 3kki h GLN 291 Cb 0.47 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 3kki h GLN 291 CO 0.02 0.80 0.21 1.25 -1.93 0.00 0.00 178.83 179.18 3kki h HIS 292 N 0.32 0.70 -0.31 3.99 2.76 -1.42 -1.21 115.15 119.98 3kki h HIS 292 Ca 0.07 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.21 3kki h HIS 292 Cb 0.61 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 3kki h HIS 292 CO 0.06 0.58 0.18 1.25 -1.30 0.00 0.00 177.93 178.69 3kki h LEU 293 N 0.62 0.29 -0.52 0.26 5.85 -1.23 -0.44 115.31 120.14 3kki h LEU 293 Ca 0.16 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.94 3kki h LEU 293 Cb 0.16 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3kki h LEU 293 CO -0.02 0.21 0.23 -0.78 -0.34 0.00 0.00 178.44 177.75 3kki h ASP 294 N 0.37 0.30 -0.23 1.25 3.58 -1.03 0.12 116.42 120.78 3kki h ASP 294 Ca 0.12 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 3kki h ASP 294 Cb 0.00 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3kki h ASP 294 CO -0.06 0.21 -0.03 0.03 -2.88 0.00 0.00 179.24 176.51 3kki h ARG 295 N 0.45 0.43 -0.75 0.28 3.08 -0.96 -1.84 114.38 115.07 3kki h ARG 295 Ca 0.24 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3kki h ARG 295 Cb 0.20 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3kki h ARG 295 CO -0.20 0.64 0.29 0.52 -1.07 0.00 0.00 179.97 180.16 3kki h MET 296 N 0.18 1.11 -0.34 0.04 2.86 -0.91 -1.74 114.93 116.14 3kki h MET 296 Ca 0.06 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3kki h MET 296 Cb 0.46 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3kki h MET 296 CO 0.02 0.91 0.14 0.00 1.06 0.00 0.00 176.91 179.03 3kki h ALA 297 N 1.23 0.44 -0.59 6.32 0.00 -0.90 -1.58 119.26 124.18 3kki h ALA 297 Ca 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kki h ALA 297 Cb 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3kki h ALA 297 CO -0.02 0.03 0.33 -0.09 0.00 0.00 0.00 179.25 179.50 3kki h ARG 298 N 0.40 0.82 -0.42 0.00 2.43 -1.17 -1.05 114.38 115.38 3kki h ARG 298 Ca 0.11 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3kki h ARG 298 Cb 0.17 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3kki h ARG 298 CO -0.01 0.62 0.25 0.87 -1.51 0.00 0.00 179.97 180.19 3kki h LYS 299 N 0.80 0.48 -0.41 0.20 1.57 -1.16 -0.89 116.57 117.15 3kki h LYS 299 Ca 0.21 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3kki h LYS 299 Cb 0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3kki h LYS 299 CO -0.03 0.32 0.12 1.25 -0.57 0.00 0.00 179.45 180.53 3kki h LEU 300 N 0.50 0.61 -0.35 2.94 5.85 -1.05 -0.42 115.31 123.39 3kki h LEU 300 Ca 0.17 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3kki h LEU 300 Cb 0.01 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3kki h LEU 300 CO -0.08 0.67 0.21 0.03 -0.34 0.00 0.00 178.44 178.93 3kki h ARG 301 N 0.53 0.47 -0.13 1.25 3.08 -1.00 -0.65 114.38 117.93 3kki h ARG 301 Ca 0.13 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3kki h ARG 301 Cb 0.28 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3kki h ARG 301 CO -0.00 0.36 0.07 0.82 -1.07 0.00 0.00 179.97 180.14 3kki h ILE 302 N 0.45 1.10 -0.80 2.04 2.04 -1.12 -1.60 117.51 119.62 3kki h ILE 302 Ca 0.13 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.73 3kki h ILE 302 Cb 0.01 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 3kki h ILE 302 CO -0.02 0.09 0.51 1.23 0.00 0.00 0.00 178.15 179.96 3kki h GLY 303 N 0.10 1.17 1.43 5.37 0.00 -0.85 -2.05 103.07 108.23 3kki h GLY 303 Ca 0.04 -0.38 -0.27 0.00 0.00 0.00 0.00 47.33 46.72 3kki h GLY 303 CO -0.01 0.32 -1.16 1.41 0.00 0.00 0.00 176.54 177.10 3kki h LEU 304 N 0.98 0.67 -1.45 3.11 3.38 -1.10 -3.25 115.31 117.65 3kki h LEU 304 Ca 0.32 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3kki h LEU 304 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3kki h LEU 304 CO -0.12 1.44 0.27 0.28 0.09 0.00 0.00 178.44 180.40 3kki h SER 305 N 0.21 0.57 0.08 -0.43 0.02 -1.14 -2.06 113.55 110.80 3kki h SER 305 Ca -0.14 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3kki h SER 305 Cb 1.83 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 64.23 3kki h SER 305 CO 0.21 0.45 -0.07 1.56 -1.14 0.00 0.00 176.83 177.83 3kki h GLN 306 N 0.65 0.00 0.00 3.45 4.20 -1.40 -1.79 115.11 120.23 3kki h GLN 306 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3kki h GLN 306 Cb -0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3kki h GLN 306 CO -0.03 0.07 0.00 1.28 -0.67 0.00 0.00 178.83 179.48 3kki n LEU 307 N -4.41 0.00 0.00 1.46 4.77 -0.78 -4.86 117.00 113.18 3kki n LEU 307 Ca -0.03 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3kki n LEU 307 Cb 0.15 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3kki n LEU 307 CO 0.35 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3kki n GLY 308 N 0.70 0.74 3.76 -0.72 0.00 -0.67 -5.05 105.19 103.94 3kki n GLY 308 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3kki n GLY 308 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kki s LEU 309 N 0.00 4.54 -0.39 0.99 1.43 -1.20 -4.98 118.68 119.06 3kki s LEU 309 Ca 0.00 2.22 -0.29 0.00 -1.03 0.00 0.00 54.13 55.03 3kki s LEU 309 Cb 0.00 -3.66 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 3kki s LEU 309 CO 0.00 -0.12 1.55 -0.89 0.23 0.00 0.00 176.35 177.12 3kki s THR 310 N -1.19 3.74 -0.36 5.49 2.01 -1.26 -4.42 115.64 119.65 3kki s THR 310 Ca 0.45 0.74 0.03 0.00 0.31 0.00 0.00 61.69 63.22 3kki s THR 310 Cb -0.31 -4.02 0.10 0.00 0.01 0.00 0.00 72.50 68.29 3kki s THR 310 CO 0.39 -0.66 0.09 -0.63 -0.69 0.00 0.00 174.62 173.12 3kki s ILE 311 N 6.03 2.02 -0.51 1.82 -1.09 -1.26 -4.57 121.20 123.64 3kki s ILE 311 Ca 0.67 -2.28 0.24 0.00 -2.23 0.00 0.00 60.65 57.05 3kki s ILE 311 Cb -0.16 -2.48 0.26 0.00 -1.58 0.00 0.00 42.46 38.49 3kki s ILE 311 CO 0.32 -0.65 1.56 0.03 -1.23 0.00 0.00 174.94 174.98 3kki h ARG 312 N 7.55 0.00 -6.67 2.79 3.08 -1.84 -3.48 114.38 115.81 3kki h ARG 312 Ca -0.06 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.41 3kki h ARG 312 Cb 1.00 0.00 0.15 0.00 0.08 0.00 0.00 29.97 31.20 3kki h ARG 312 CO 0.53 0.00 0.04 0.45 -1.07 0.00 0.00 179.97 179.91 3kki n SER 313 N -2.75 0.63 -0.51 7.04 2.88 -1.16 -4.47 113.62 115.29 3kki n SER 313 Ca 0.04 0.90 0.05 0.00 -1.33 0.00 0.00 58.87 58.53 3kki n SER 313 Cb 0.50 -1.33 0.09 0.00 -0.75 0.00 0.00 64.21 62.72 3kki n SER 313 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3kki n GLU 314 N -0.27 0.71 -0.68 -1.46 1.02 -0.38 -4.88 120.64 114.70 3kki n GLU 314 Ca 0.11 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 55.18 3kki n GLU 314 Cb 0.43 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 3kki n GLU 314 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3kki n SER 315 N -0.62 0.00 -0.05 1.62 3.41 -1.20 -4.94 113.62 111.85 3kki n SER 315 Ca 0.10 -0.42 0.15 0.00 -0.26 0.00 0.00 58.87 58.43 3kki n SER 315 Cb 0.74 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.46 3kki n SER 315 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kki n GLN 316 N 0.00 0.70 -3.65 4.33 0.00 -1.26 -4.66 117.38 112.84 3kki n GLN 316 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 57.00 56.53 3kki n GLN 316 Cb 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 30.24 28.63 3kki n GLN 316 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3kki s ILE 317 N -2.37 4.85 -0.17 -0.39 1.01 -1.26 -1.19 121.20 121.69 3kki s ILE 317 Ca 0.34 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.90 3kki s ILE 317 Cb 0.21 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 39.33 3kki s ILE 317 CO 0.43 0.21 -0.17 -0.63 0.00 0.00 0.00 174.94 174.79 3kki s ILE 318 N 1.68 2.42 -0.37 2.92 -1.09 -0.08 -3.92 121.20 122.77 3kki s ILE 318 Ca 0.06 -0.84 -0.11 0.00 -2.23 0.00 0.00 60.65 57.54 3kki s ILE 318 Cb -0.16 -2.02 0.03 0.00 -1.58 0.00 0.00 42.46 38.72 3kki s ILE 318 CO 0.08 0.52 0.20 -0.83 -1.23 0.00 0.00 174.94 173.67 3kki s GLY 319 N 1.03 1.92 -0.25 6.18 0.00 -1.26 -0.35 107.32 114.59 3kki s GLY 319 Ca -0.01 -1.70 -0.28 0.00 0.00 0.00 0.00 44.72 42.72 3kki s GLY 319 CO -0.05 0.83 1.00 1.08 0.00 0.00 0.00 173.10 175.96 3kki s LEU 320 N 1.55 4.07 -0.47 0.66 1.43 -0.69 -4.72 118.68 120.51 3kki s LEU 320 Ca 0.02 1.24 -0.21 0.00 -1.03 0.00 0.00 54.13 54.15 3kki s LEU 320 Cb -0.19 -3.46 0.03 0.00 0.03 0.00 0.00 46.19 42.60 3kki s LEU 320 CO 0.06 -0.67 0.70 -1.61 0.23 0.00 0.00 176.35 175.06 3kki s GLU 321 N 3.19 3.27 -0.10 1.70 2.02 -1.26 -1.23 118.70 126.29 3kki s GLU 321 Ca 0.42 -0.42 0.14 0.00 0.02 0.00 0.00 54.97 55.13 3kki s GLU 321 Cb -0.15 -3.99 0.42 0.00 0.10 0.00 0.00 34.13 30.51 3kki s GLU 321 CO 0.08 -1.13 1.33 0.25 0.02 0.00 0.00 175.26 175.82 3kki n THR 322 N 5.89 1.74 0.00 3.63 -2.24 -0.64 0.14 114.28 122.80 3kki n THR 322 Ca -0.02 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.24 3kki n THR 322 Cb 0.47 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3kki n THR 322 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kki n GLY 323 N -0.15 3.82 3.76 3.38 0.00 -1.24 -3.67 105.19 111.10 3kki n GLY 323 Ca 0.17 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3kki n GLY 323 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kki s ASP 324 N -4.00 4.08 0.21 1.61 1.47 -1.23 -1.04 116.67 117.77 3kki s ASP 324 Ca 0.00 1.44 -0.08 0.00 1.18 0.00 0.00 52.55 55.08 3kki s ASP 324 Cb 0.00 -2.15 0.14 0.00 -0.34 0.00 0.00 42.92 40.57 3kki s ASP 324 CO 0.00 -2.25 1.76 -0.33 0.68 0.00 0.00 175.17 175.03 3kki h GLU 325 N -1.28 1.16 -0.35 2.11 5.08 -1.87 -0.13 114.58 119.30 3kki h GLU 325 Ca -0.48 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 57.64 3kki h GLU 325 Cb 1.27 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3kki h GLU 325 CO 0.56 0.96 0.17 -0.09 -1.00 0.00 0.00 179.01 179.61 3kki h ARG 326 N 1.12 0.50 -0.57 2.33 1.12 -1.94 -0.79 114.38 116.15 3kki h ARG 326 Ca 0.25 -0.07 -0.07 0.00 -1.11 0.00 0.00 59.98 58.98 3kki h ARG 326 Cb 0.25 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.10 3kki h ARG 326 CO -0.02 0.45 0.07 -0.97 -3.11 0.00 0.00 179.97 176.39 3kki h ASN 327 N 0.42 0.89 -0.51 -3.80 -0.73 -1.79 -2.79 115.58 107.27 3kki h ASN 327 Ca 0.12 -0.20 -0.05 0.00 1.87 0.00 0.00 56.30 58.04 3kki h ASN 327 Cb 0.12 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.44 3kki h ASN 327 CO -0.02 0.91 0.15 0.74 -0.37 0.00 0.00 177.43 178.85 3kki h THR 328 N 0.88 1.22 -0.81 -3.57 2.02 -0.71 -1.32 112.91 110.62 3kki h THR 328 Ca 0.18 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 3kki h THR 328 Cb 0.42 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3kki h THR 328 CO 0.01 0.30 0.42 -0.08 0.37 0.00 0.00 175.52 176.54 3kki h GLU 329 N 0.82 1.15 -0.03 6.66 4.81 -0.93 -0.78 114.58 126.29 3kki h GLU 329 Ca 0.18 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3kki h GLU 329 Cb 0.27 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3kki h GLU 329 CO -0.00 0.86 -0.00 0.87 -0.73 0.00 0.00 179.01 180.01 3kki h LYS 330 N 1.15 0.05 -0.39 1.92 1.57 -1.15 -1.40 116.57 118.31 3kki h LYS 330 Ca 0.28 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3kki h LYS 330 Cb 0.07 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3kki h LYS 330 CO -0.04 0.37 0.25 0.28 -0.57 0.00 0.00 179.45 179.74 3kki h VAL 331 N -0.28 1.11 -0.10 0.50 2.07 -1.18 -0.92 116.25 117.46 3kki h VAL 331 Ca 0.01 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.33 3kki h VAL 331 Cb 0.35 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3kki h VAL 331 CO 0.00 0.11 -0.05 -0.09 0.02 0.00 0.00 177.57 177.56 3kki h ARG 332 N 0.52 -0.04 -1.00 1.57 2.43 -1.15 -0.83 114.38 115.87 3kki h ARG 332 Ca 0.14 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3kki h ARG 332 Cb -0.04 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 3kki h ARG 332 CO -0.03 -0.03 0.66 -0.44 -1.51 0.00 0.00 179.97 178.63 3kki h ASP 333 N -0.04 1.16 -0.03 -3.80 3.32 -0.97 -0.64 116.42 115.41 3kki h ASP 333 Ca 0.06 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3kki h ASP 333 Cb 0.13 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 3kki h ASP 333 CO -0.13 0.84 0.00 0.22 -1.72 0.00 0.00 179.24 178.45 3kki h TYR 334 N 1.36 0.06 -0.53 4.55 3.20 -0.92 -1.51 116.97 123.18 3kki h TYR 334 Ca 0.37 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.21 3kki h TYR 334 Cb -0.16 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 3kki h TYR 334 CO 0.00 0.32 0.26 -0.07 -1.64 0.00 0.00 178.16 177.03 3kki h LEU 335 N -0.22 0.70 -0.77 2.82 3.38 -0.93 -2.37 115.31 117.91 3kki h LEU 335 Ca 0.01 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 3kki h LEU 335 Cb 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3kki h LEU 335 CO 0.00 0.63 -0.27 -0.33 0.09 0.00 0.00 178.44 178.56 3kki h GLU 336 N 0.71 0.63 -0.26 1.13 5.08 -0.93 0.25 114.58 121.19 3kki h GLU 336 Ca 0.18 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3kki h GLU 336 Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3kki h GLU 336 CO -0.02 0.84 0.10 1.03 -1.00 0.00 0.00 179.01 179.95 3kki h SER 337 N 0.55 0.32 -0.67 1.42 0.87 -1.03 -2.45 113.55 112.56 3kki h SER 337 Ca 0.07 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3kki h SER 337 Cb 0.74 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3kki h SER 337 CO 0.06 0.30 0.00 0.59 -0.53 0.00 0.00 176.83 177.25 3kki n ASN 338 N -4.43 4.82 0.00 6.23 4.13 -0.91 -4.96 115.26 120.14 3kki n ASN 338 Ca 0.01 -2.43 0.00 0.00 1.68 0.00 0.00 54.58 53.83 3kki n ASN 338 Cb 0.13 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.78 3kki n ASN 338 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kki n GLY 339 N 1.20 0.53 3.13 7.41 0.00 -0.90 -5.00 105.19 111.56 3kki n GLY 339 Ca 0.26 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 3kki n GLY 339 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kki s VAL 340 N -2.00 2.42 -0.45 1.61 1.01 0.84 -1.11 120.40 122.72 3kki s VAL 340 Ca 0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.70 3kki s VAL 340 Cb 0.00 -2.27 0.12 0.00 0.00 0.00 0.00 36.38 34.23 3kki s VAL 340 CO 0.00 0.17 0.23 -0.36 0.00 0.00 0.00 175.10 175.14 3kki s PHE 341 N 1.22 3.55 0.05 5.22 0.40 -0.42 -2.77 117.98 125.24 3kki s PHE 341 Ca -0.03 -2.64 0.00 0.00 -0.60 0.00 0.00 56.93 53.67 3kki s PHE 341 Cb -0.17 -3.14 0.01 0.00 0.51 0.00 0.00 43.02 40.23 3kki s PHE 341 CO -0.06 -0.93 0.07 0.41 0.70 0.00 0.00 175.22 175.41 3kki n GLY 342 N 4.20 1.39 3.32 4.36 0.00 -1.26 -0.39 105.19 116.81 3kki n GLY 342 Ca 0.01 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 3kki n GLY 342 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kki s SER 343 N -1.31 4.23 -0.19 1.61 0.01 0.37 -4.84 113.70 113.59 3kki s SER 343 Ca 0.05 -0.37 -0.29 0.00 1.31 0.00 0.00 55.95 56.64 3kki s SER 343 Cb -0.00 -1.71 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 3kki s SER 343 CO 0.03 0.02 1.51 -0.69 0.41 0.00 0.00 173.24 174.53 3kki s VAL 344 N 1.21 3.84 -0.40 3.43 1.01 -1.26 0.11 120.40 128.34 3kki s VAL 344 Ca 0.02 0.98 -0.11 0.00 0.00 0.00 0.00 61.98 62.88 3kki s VAL 344 Cb -0.14 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.52 3kki s VAL 344 CO -0.02 -0.24 0.25 -0.36 0.00 0.00 0.00 175.10 174.73 3kki s PHE 345 N 4.53 3.28 0.26 5.22 0.40 0.24 -4.82 117.98 127.09 3kki s PHE 345 Ca 0.67 -1.18 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 3kki s PHE 345 Cb -0.25 -2.71 -0.00 0.00 0.51 0.00 0.00 43.02 40.57 3kki s PHE 345 CO 0.26 -0.74 0.04 0.00 0.70 0.00 0.00 175.22 175.48 3kki n ARG 347 N -0.62 1.72 -0.02 0.00 1.85 -1.23 -0.94 116.66 117.42 3kki n ARG 347 Ca -0.08 0.63 0.09 0.00 -1.00 0.00 0.00 57.85 57.49 3kki n ARG 347 Cb 0.36 -2.47 0.45 0.00 -1.05 0.00 0.00 32.46 29.75 3kki n ARG 347 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3kki n PRO 348 N -0.61 1.18 0.14 2.89 -0.04 -1.26 -4.83 135.00 132.47 3kki n PRO 348 Ca 0.09 -0.27 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 3kki n PRO 348 Cb 0.43 -1.29 0.19 0.00 -0.04 0.00 0.00 33.50 32.79 3kki n PRO 348 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kki h ALA 349 N 3.63 1.01 -1.91 0.55 0.00 -1.43 -3.45 119.26 117.66 3kki h ALA 349 Ca 0.00 -0.54 -0.49 0.00 0.00 0.00 0.00 54.91 53.88 3kki h ALA 349 Cb 0.12 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 17.67 3kki h ALA 349 CO 0.00 0.75 -0.57 0.95 0.00 0.00 0.00 179.25 180.38 3kki s THR 350 N -3.66 0.84 0.61 0.00 -4.23 -1.03 -4.96 115.64 103.21 3kki s THR 350 Ca -0.01 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.34 3kki s THR 350 Cb 0.13 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 3kki s THR 350 CO 0.76 0.00 1.07 -0.94 -0.54 0.00 0.00 174.62 174.97 3kki s SER 351 N -3.51 5.65 0.39 3.99 1.04 -1.26 -3.49 113.70 116.51 3kki s SER 351 Ca 0.31 1.84 0.14 0.00 0.48 0.00 0.00 55.95 58.72 3kki s SER 351 Cb 0.06 -2.53 0.98 0.00 0.10 0.00 0.00 66.02 64.62 3kki s SER 351 CO 0.15 -1.26 1.87 0.50 0.98 0.00 0.00 173.24 175.48 3kki h LYS 352 N 0.32 0.50 -0.50 4.02 3.64 -1.98 -2.12 116.57 120.46 3kki h LYS 352 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3kki h LYS 352 Cb 1.22 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3kki h LYS 352 CO 0.57 0.33 0.00 0.09 -2.27 0.00 0.00 179.45 178.17 3kki n ASN 353 N -4.54 3.65 -2.83 4.20 3.02 -1.26 -3.93 115.26 113.56 3kki n ASN 353 Ca 0.18 -2.19 -0.19 0.00 -0.03 0.00 0.00 54.58 52.35 3kki n ASN 353 Cb 0.59 -0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 39.36 3kki n ASN 353 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kki n LYS 354 N 0.82 1.95 -2.17 3.52 5.02 -0.80 -3.53 118.16 122.96 3kki n LYS 354 Ca 0.19 -3.85 -0.33 0.00 -2.02 0.00 0.00 58.31 52.30 3kki n LYS 354 Cb 0.61 -1.77 -0.00 0.00 -0.02 0.00 0.00 35.03 33.85 3kki n LYS 354 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kki s ASN 355 N -3.07 5.95 -0.05 4.39 0.01 -0.20 -4.51 114.94 117.45 3kki s ASN 355 Ca 0.39 1.83 0.03 0.00 -0.71 0.00 0.00 52.86 54.41 3kki s ASN 355 Cb 0.38 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.51 3kki s ASN 355 CO -0.08 -1.05 -0.14 -0.63 -1.51 0.00 0.00 177.10 173.69 3kki s ILE 356 N -2.35 1.21 -0.42 0.60 -1.09 -0.27 -1.62 121.20 117.27 3kki s ILE 356 Ca 0.64 -0.56 -0.18 0.00 -2.23 0.00 0.00 60.65 58.33 3kki s ILE 356 Cb -0.16 -1.07 0.02 0.00 -1.58 0.00 0.00 42.46 39.67 3kki s ILE 356 CO 0.33 0.36 0.48 -0.63 -1.23 0.00 0.00 174.94 174.25 3kki s ILE 357 N 0.36 5.04 -0.22 2.92 1.01 -0.37 0.82 121.20 130.77 3kki s ILE 357 Ca -0.09 -0.26 -0.18 0.00 0.00 0.00 0.00 60.65 60.11 3kki s ILE 357 Cb -0.13 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 3kki s ILE 357 CO 0.03 -0.46 0.53 -0.60 0.00 0.00 0.00 174.94 174.44 3kki s ARG 358 N 2.26 4.16 -0.37 2.79 3.52 0.12 -1.70 118.95 129.73 3kki s ARG 358 Ca 0.14 0.41 -0.14 0.00 -0.13 0.00 0.00 55.73 56.01 3kki s ARG 358 Cb -0.16 -3.59 -0.00 0.00 -1.56 0.00 0.00 34.95 29.64 3kki s ARG 358 CO 0.15 -0.21 0.30 -0.51 -0.81 0.00 0.00 175.30 174.22 3kki s LEU 359 N 1.84 4.71 -0.39 -0.88 1.43 0.52 -0.48 118.68 125.44 3kki s LEU 359 Ca 0.24 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 3kki s LEU 359 Cb -0.15 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.86 3kki s LEU 359 CO 0.09 -0.35 0.28 -0.44 0.23 0.00 0.00 176.35 176.16 3kki s SER 360 N 1.72 6.10 0.32 2.29 0.01 0.11 -0.90 113.70 123.34 3kki s SER 360 Ca 0.08 -0.75 -0.19 0.00 1.31 0.00 0.00 55.95 56.39 3kki s SER 360 Cb -0.18 -2.15 -0.09 0.00 0.21 0.00 0.00 66.02 63.81 3kki s SER 360 CO 0.11 -0.38 0.82 -0.76 0.41 0.00 0.00 173.24 173.43 3kki s LEU 361 N 1.70 4.15 0.23 2.44 1.43 -0.33 -4.18 118.68 124.11 3kki s LEU 361 Ca 0.05 1.50 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 3kki s LEU 361 Cb -0.18 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 41.93 3kki s LEU 361 CO 0.10 -0.16 0.04 0.54 0.23 0.00 0.00 176.35 177.10 3kki s ASN 362 N -1.99 1.42 0.00 2.29 2.20 -1.26 -4.73 114.94 112.87 3kki s ASN 362 Ca 0.52 -1.27 0.15 0.00 -0.94 0.00 0.00 52.86 51.32 3kki s ASN 362 Cb -0.13 0.10 0.74 0.00 -2.00 0.00 0.00 41.25 39.95 3kki s ASN 362 CO 0.18 -0.61 1.42 -1.54 -2.94 0.00 0.00 177.10 173.61 3kki n SER 363 N -0.39 0.00 0.06 3.54 3.41 -0.13 -1.91 113.62 118.20 3kki n SER 363 Ca -0.04 0.13 0.12 0.00 -0.26 0.00 0.00 58.87 58.83 3kki n SER 363 Cb 0.65 -0.32 0.26 0.00 -0.26 0.00 0.00 64.21 64.54 3kki n SER 363 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kki n ASP 364 N -1.32 0.68 -4.72 4.04 9.92 -1.26 -4.83 116.55 119.06 3kki n ASP 364 Ca 0.07 0.22 -0.42 0.00 -0.53 0.00 0.00 54.79 54.12 3kki n ASP 364 Cb 0.13 -0.09 -0.03 0.00 -0.64 0.00 0.00 41.12 40.49 3kki n ASP 364 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3kki s VAL 365 N -3.13 3.50 0.48 2.53 1.01 -0.80 -5.03 120.40 118.96 3kki s VAL 365 Ca 0.08 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.22 3kki s VAL 365 Cb 0.14 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.83 3kki s VAL 365 CO 0.68 0.09 0.42 0.54 0.00 0.00 0.00 175.10 176.83 3kki s ASN 366 N 1.04 4.84 0.26 3.32 2.20 -1.26 -4.98 114.94 120.36 3kki s ASN 366 Ca 0.62 -0.98 -0.02 0.00 -0.94 0.00 0.00 52.86 51.54 3kki s ASN 366 Cb -0.35 -0.08 0.47 0.00 -2.00 0.00 0.00 41.25 39.29 3kki s ASN 366 CO 0.30 -0.90 1.79 0.44 -2.94 0.00 0.00 177.10 175.80 3kki h ASP 367 N 0.86 0.64 -0.32 3.54 3.32 -1.99 -1.94 116.42 120.51 3kki h ASP 367 Ca -0.38 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 3kki h ASP 367 Cb 1.28 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 3kki h ASP 367 CO 0.56 0.32 0.17 -0.08 -1.72 0.00 0.00 179.24 178.50 3kki h GLU 368 N 0.74 0.45 -0.67 3.56 4.81 -1.99 -1.36 114.58 120.12 3kki h GLU 368 Ca 0.43 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.56 3kki h GLU 368 Cb 0.50 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3kki h GLU 368 CO -0.30 0.40 0.23 1.96 -0.73 0.00 0.00 179.01 180.57 3kki h GLN 369 N 0.39 1.03 -0.43 1.92 4.20 -1.86 -0.87 115.11 119.48 3kki h GLN 369 Ca 0.11 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.65 3kki h GLN 369 Cb 0.08 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 3kki h GLN 369 CO -0.02 0.88 0.22 0.82 -0.67 0.00 0.00 178.83 180.06 3kki h ILE 370 N 0.97 0.98 -0.94 2.54 1.08 -1.20 -1.07 117.51 119.86 3kki h ILE 370 Ca 0.22 -0.15 -0.00 0.00 -0.39 0.00 0.00 64.86 64.53 3kki h ILE 370 Cb 0.26 0.50 -0.05 0.00 -3.07 0.00 0.00 36.82 34.46 3kki h ILE 370 CO -0.01 0.08 0.58 0.00 -0.69 0.00 0.00 178.15 178.11 3kki h ALA 371 N 1.22 1.20 -0.66 1.87 0.00 -0.89 -2.52 119.26 119.48 3kki h ALA 371 Ca 0.18 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3kki h ALA 371 Cb 0.08 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3kki h ALA 371 CO -0.12 0.64 0.08 -0.22 0.00 0.00 0.00 179.25 179.63 3kki h LYS 372 N 1.29 1.11 -0.43 0.00 3.64 -0.66 -1.68 116.57 119.84 3kki h LYS 372 Ca 0.34 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3kki h LYS 372 Cb -0.08 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3kki h LYS 372 CO -0.07 1.03 0.25 0.82 -2.27 0.00 0.00 179.45 179.21 3kki h ILE 373 N 1.03 1.15 -0.68 2.00 2.04 -0.93 0.12 117.51 122.24 3kki h ILE 373 Ca 0.20 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3kki h ILE 373 Cb 0.48 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3kki h ILE 373 CO 0.02 0.16 0.35 0.40 0.00 0.00 0.00 178.15 179.07 3kki h ILE 374 N 0.57 1.22 -0.46 -0.67 2.04 -1.37 -1.10 117.51 117.74 3kki h ILE 374 Ca 0.15 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3kki h ILE 374 Cb 0.04 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3kki h ILE 374 CO -0.03 0.25 0.23 -0.08 0.00 0.00 0.00 178.15 178.52 3kki h GLU 375 N 0.95 0.65 -0.63 2.37 4.81 -0.91 0.48 114.58 122.29 3kki h GLU 375 Ca 0.24 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3kki h GLU 375 Cb 0.09 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3kki h GLU 375 CO -0.03 0.55 0.13 0.28 -0.73 0.00 0.00 179.01 179.21 3kki h VAL 376 N 0.60 1.26 -0.01 0.32 2.07 -0.62 -2.52 116.25 117.35 3kki h VAL 376 Ca 0.16 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.60 3kki h VAL 376 Cb 0.10 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3kki h VAL 376 CO -0.02 0.36 -0.53 0.00 0.02 0.00 0.00 177.57 177.40 3kki h SER 378 N 0.02 0.54 -0.05 0.00 0.87 -0.74 -1.22 113.55 112.97 3kki h SER 378 Ca -0.00 -0.36 -0.05 0.00 -1.23 0.00 0.00 61.79 60.14 3kki h SER 378 Cb 0.95 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 3kki h SER 378 CO 0.07 0.78 -0.11 0.44 -0.53 0.00 0.00 176.83 177.48 3kki h ASP 379 N 0.30 0.32 -0.45 6.23 3.32 -1.40 -1.96 116.42 122.78 3kki h ASP 379 Ca 0.07 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3kki h ASP 379 Cb 0.54 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3kki h ASP 379 CO 0.03 0.47 -0.19 0.00 -1.72 0.00 0.00 179.24 177.83 3kki h ALA 380 N 1.57 0.76 -0.21 3.45 0.00 -1.15 0.12 119.26 123.80 3kki h ALA 380 Ca 0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3kki h ALA 380 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kki h ALA 380 CO 0.02 0.66 -0.05 0.28 0.00 0.00 0.00 179.25 180.17 3kki h VAL 381 N 0.83 1.28 0.20 0.00 2.07 -0.98 -2.41 116.25 117.24 3kki h VAL 381 Ca 0.11 -1.03 -0.32 0.00 0.82 0.00 0.00 66.70 66.29 3kki h VAL 381 Cb 0.75 1.53 0.02 0.00 -1.52 0.00 0.00 31.29 32.07 3kki h VAL 381 CO 0.06 0.31 -1.51 0.78 0.02 0.00 0.00 177.57 177.23 3kki h ASN 382 N 0.13 0.65 0.00 0.57 -0.26 -1.36 -3.40 115.58 111.91 3kki h ASN 382 Ca 0.05 -0.92 0.00 0.00 -0.56 0.00 0.00 56.30 54.87 3kki h ASN 382 Cb 0.50 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 3kki h ASN 382 CO 0.02 1.70 -0.52 -1.22 -1.06 0.00 0.00 177.43 176.35 3kki n TYR 383 N -3.74 0.00 -2.46 1.19 4.01 0.40 -5.02 117.16 111.54 3kki n TYR 383 Ca -0.21 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.12 3kki n TYR 383 Cb 1.03 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 40.01 3kki n TYR 383 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3kki s GLY 384 N -1.97 2.74 -0.98 2.72 0.00 -0.91 -4.93 107.32 103.99 3kki s GLY 384 Ca 0.03 0.86 -0.07 0.00 0.00 0.00 0.00 44.72 45.54 3kki s GLY 384 CO 0.38 1.77 3.01 1.34 0.00 0.00 0.00 173.10 179.60 3kki n ASP 385 N 2.62 7.39 -3.67 1.64 2.03 -1.26 -4.82 116.55 120.47 3kki n ASP 385 Ca 0.04 -2.74 -0.08 0.00 0.52 0.00 0.00 54.79 52.53 3kki n ASP 385 Cb 0.46 -1.44 -0.02 0.00 -0.72 0.00 0.00 41.12 39.40 3kki n ASP 385 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3kki s PHE 386 N 0.71 -0.29 0.43 -0.67 -0.71 -1.26 -5.03 117.98 111.16 3kki s PHE 386 Ca 0.65 -0.02 0.07 0.00 -1.04 0.00 0.00 56.93 56.58 3kki s PHE 386 Cb 0.24 0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 42.65 3kki s PHE 386 CO -0.07 -0.96 0.24 1.52 -1.34 0.00 0.00 175.22 174.61 3kki s TYR 387 N -3.64 2.54 -0.06 3.49 1.13 -1.26 -4.97 117.35 114.58 3kki s TYR 387 Ca 0.08 -0.60 0.02 0.00 -1.41 0.00 0.00 57.07 55.16 3kki s TYR 387 Cb -0.03 -2.00 0.02 0.00 -1.10 0.00 0.00 41.96 38.85 3kki s TYR 387 CO -0.02 0.07 -0.09 -0.06 -2.51 0.00 0.00 175.55 172.94 3kki s PHE 388 N -2.59 1.18 -2.00 -3.49 0.08 -1.26 -4.83 117.98 105.06 3kki s PHE 388 Ca 0.41 -0.40 0.15 0.00 0.12 0.00 0.00 56.93 57.21 3kki s PHE 388 Cb 0.02 -0.91 0.89 0.00 -0.57 0.00 0.00 43.02 42.46 3kki s PHE 388 CO 0.23 -0.24 1.31 0.54 -0.10 0.00 0.00 175.22 176.96