#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dua s VAL 2 N 0.00 0.94 0.68 2.62 1.01 -1.26 -5.14 120.40 119.24 1dua s VAL 2 Ca 0.00 -1.65 -0.17 0.00 0.00 0.00 0.00 61.98 60.17 1dua s VAL 2 Cb 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1dua s VAL 2 CO 0.00 -0.56 1.23 -0.94 0.00 0.00 0.00 175.10 174.82 1dua s SER 3 N -2.46 4.56 0.32 3.32 1.04 -1.26 -4.89 113.70 114.33 1dua s SER 3 Ca 0.06 2.42 0.24 0.00 0.48 0.00 0.00 55.95 59.15 1dua s SER 3 Cb -0.03 -2.60 1.15 0.00 0.10 0.00 0.00 66.02 64.64 1dua s SER 3 CO -0.00 -2.02 1.74 0.00 0.98 0.00 0.00 173.24 173.93 1dua h ALA 4 N 0.20 1.00 -0.00 5.32 0.00 -2.00 -1.50 119.26 122.27 1dua h ALA 4 Ca -0.49 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 1dua h ALA 4 Cb 1.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1dua h ALA 4 CO 0.52 0.00 -0.80 0.93 0.00 0.00 0.00 179.25 179.90 1dua h GLU 5 N 0.00 0.10 0.16 0.00 5.08 -1.99 -2.85 114.58 115.08 1dua h GLU 5 Ca 0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1dua h GLU 5 Cb 0.21 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1dua h GLU 5 CO 0.00 0.85 -0.08 0.93 -1.00 0.00 0.00 179.01 179.71 1dua h GLU 6 N 0.06 -0.21 -0.74 2.33 4.39 -1.63 -1.42 114.58 117.36 1dua h GLU 6 Ca -0.02 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.84 1dua h GLU 6 Cb 1.40 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 30.05 1dua h GLU 6 CO 0.11 0.20 0.50 0.82 -1.16 0.00 0.00 179.01 179.48 1dua h ILE 7 N -0.69 0.79 0.10 3.13 5.03 -1.61 0.66 117.51 124.94 1dua h ILE 7 Ca -0.02 -0.14 -0.01 0.00 -0.12 0.00 0.00 64.86 64.58 1dua h ILE 7 Cb 0.50 0.36 0.00 0.00 -3.03 0.00 0.00 36.82 34.65 1dua h ILE 7 CO 0.04 0.07 -0.05 0.50 -0.68 0.00 0.00 178.15 178.03 1dua h LYS 8 N 0.40 -0.14 -0.70 2.37 1.63 -1.41 -1.57 116.57 117.15 1dua h LYS 8 Ca 0.36 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.13 1dua h LYS 8 Cb 0.85 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.48 1dua h LYS 8 CO -0.11 0.27 0.26 0.87 -3.45 0.00 0.00 179.45 177.29 1dua h LYS 9 N -0.58 1.06 0.05 1.90 1.57 -0.06 -1.13 116.57 119.37 1dua h LYS 9 Ca -0.01 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1dua h LYS 9 Cb 0.47 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1dua h LYS 9 CO 0.02 0.89 -0.10 1.25 -0.57 0.00 0.00 179.45 180.94 1dua h HIS 10 N 1.00 -0.24 -0.30 -1.35 2.76 0.24 -0.73 115.15 116.53 1dua h HIS 10 Ca 0.23 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.49 1dua h HIS 10 Cb 0.24 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1dua h HIS 10 CO 0.02 -0.15 0.22 0.93 -1.30 0.00 0.00 177.93 177.65 1dua h GLU 11 N -0.19 0.02 0.36 5.26 5.08 -1.03 0.14 114.58 124.22 1dua h GLU 11 Ca 0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1dua h GLU 11 Cb 0.21 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1dua h GLU 11 CO -0.06 0.01 -0.17 1.49 -1.00 0.00 0.00 179.01 179.28 1dua h GLU 12 N 0.02 -0.47 0.76 2.33 4.57 0.11 -1.99 114.58 119.91 1dua h GLU 12 Ca 0.14 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1dua h GLU 12 Cb 0.55 0.11 0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1dua h GLU 12 CO -0.00 -0.17 -0.37 0.87 -1.18 0.00 0.00 179.01 178.16 1dua h LYS 13 N -0.76 -0.98 -0.97 1.92 1.57 -0.38 -3.07 116.57 113.89 1dua h LYS 13 Ca -0.05 0.07 0.21 0.00 -1.87 0.00 0.00 60.65 59.01 1dua h LYS 13 Cb 0.51 0.22 -0.18 0.00 0.08 0.00 0.00 32.23 32.86 1dua h LYS 13 CO 0.08 -0.66 -0.19 1.87 -0.57 0.00 0.00 179.45 179.99 1dua n TRP 14 N -5.10 0.41 0.25 -1.35 -0.00 0.42 0.57 117.44 112.63 1dua n TRP 14 Ca -0.13 1.18 0.14 0.00 -0.00 0.00 0.00 57.50 58.69 1dua n TRP 14 Cb 0.40 -1.10 0.81 0.00 -0.00 0.00 0.00 31.31 31.43 1dua n TRP 14 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 1dua h ASN 15 N 0.00 0.00 0.59 5.87 -1.24 -1.29 -0.51 115.58 119.00 1dua h ASN 15 Ca 0.49 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.50 1dua h ASN 15 Cb 0.81 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.86 1dua h ASN 15 CO -0.98 0.00 0.00 2.29 -1.29 0.00 0.00 177.43 177.45 1dua n LYS 16 N -4.06 0.02 -0.07 6.67 2.85 0.19 0.12 118.16 123.88 1dua n LYS 16 Ca -0.01 0.24 -0.08 0.00 -1.05 0.00 0.00 58.31 57.41 1dua n LYS 16 Cb 0.16 -1.54 -0.08 0.00 -0.65 0.00 0.00 35.03 32.92 1dua n LYS 16 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1dua n TYR 17 N -1.58 0.00 0.18 5.58 4.02 -0.27 -4.72 117.16 120.36 1dua n TYR 17 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.95 1dua n TYR 17 Cb 0.20 -0.58 0.03 0.00 -0.02 0.00 0.00 39.34 38.96 1dua n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1dua n TYR 18 N -2.65 0.02 0.06 -0.72 4.01 -0.75 -4.60 117.16 112.53 1dua n TYR 18 Ca -0.22 -0.05 -0.02 0.00 -0.16 0.00 0.00 57.90 57.45 1dua n TYR 18 Cb 0.84 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.80 1dua n TYR 18 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1dua h GLY 19 N 0.96 0.00 -3.51 2.72 0.00 0.66 -3.46 103.07 100.44 1dua h GLY 19 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1dua h GLY 19 CO 0.00 0.00 -0.62 0.54 0.00 0.00 0.00 176.54 176.46 1dua s VAL 20 N -2.84 3.95 0.43 4.60 0.11 -1.25 -5.07 120.40 120.33 1dua s VAL 20 Ca -0.01 -1.37 -0.25 0.00 -2.93 0.00 0.00 61.98 57.43 1dua s VAL 20 Cb 0.08 -3.01 -0.10 0.00 -1.53 0.00 0.00 36.38 31.82 1dua s VAL 20 CO 0.80 -0.14 1.14 -3.20 -3.33 0.00 0.00 175.10 170.36 1dua n ASN 21 N -0.31 1.86 -0.15 3.54 5.15 -1.26 -4.82 115.26 119.27 1dua n ASN 21 Ca -0.09 1.06 -0.03 0.00 -0.60 0.00 0.00 54.58 54.93 1dua n ASN 21 Cb 0.55 -1.43 0.05 0.00 -0.53 0.00 0.00 39.78 38.43 1dua n ASN 21 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1dua h ALA 22 N 1.75 0.43 0.00 5.20 0.00 -1.96 0.12 119.26 124.78 1dua h ALA 22 Ca -0.46 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1dua h ALA 22 Cb 1.32 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1dua h ALA 22 CO 0.58 -0.40 0.00 0.74 0.00 0.00 0.00 179.25 180.17 1dua h PHE 23 N 0.08 0.00 -0.18 0.00 0.04 -2.01 -1.85 116.94 113.03 1dua h PHE 23 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 1dua h PHE 23 Cb 0.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1dua h PHE 23 CO -0.34 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.46 1dua n ASN 24 N -3.04 2.55 -4.77 2.17 4.13 0.36 -4.94 115.26 111.72 1dua n ASN 24 Ca -0.02 -1.84 -0.39 0.00 1.68 0.00 0.00 54.58 54.01 1dua n ASN 24 Cb 0.15 -0.11 -0.02 0.00 -1.54 0.00 0.00 39.78 38.27 1dua n ASN 24 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1dua s LEU 25 N -1.73 4.27 0.39 3.41 2.96 -0.70 -4.89 118.68 122.39 1dua s LEU 25 Ca 0.34 2.52 -0.27 0.00 -0.22 0.00 0.00 54.13 56.51 1dua s LEU 25 Cb 0.20 -3.88 -0.09 0.00 0.50 0.00 0.00 46.19 42.92 1dua s LEU 25 CO 0.30 -0.68 1.33 -2.16 -1.32 0.00 0.00 176.35 173.82 1dua s PRO 26 N -2.13 4.02 0.45 0.98 0.04 -1.26 -4.86 135.00 132.25 1dua s PRO 26 Ca 0.55 2.23 0.22 0.00 0.04 0.00 0.00 61.00 64.03 1dua s PRO 26 Cb -0.35 -2.82 1.21 0.00 0.04 0.00 0.00 34.50 32.57 1dua s PRO 26 CO 0.45 -0.47 1.85 0.87 0.04 0.00 0.00 177.00 179.75 1dua h LYS 27 N 2.80 0.27 0.00 4.56 1.57 -1.93 -1.00 116.57 122.84 1dua h LYS 27 Ca -0.50 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 1dua h LYS 27 Cb 1.24 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 1dua h LYS 27 CO 0.63 0.18 -0.15 1.05 -0.57 0.00 0.00 179.45 180.59 1dua h GLU 28 N 0.28 0.00 0.00 3.15 9.09 -1.99 -3.01 114.58 122.10 1dua h GLU 28 Ca 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.88 1dua h GLU 28 Cb 1.39 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.49 1dua h GLU 28 CO -0.14 0.15 -1.83 1.28 0.05 0.00 0.00 179.01 178.51 1dua n LEU 29 N -3.57 0.15 -3.57 3.06 4.77 -0.41 -4.43 117.00 113.01 1dua n LEU 29 Ca -0.01 0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 56.01 1dua n LEU 29 Cb 0.29 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 1dua n LEU 29 CO 0.31 -0.02 0.47 0.12 -1.33 0.00 0.00 177.39 176.93 1dua s PHE 30 N -3.46 -0.94 -0.01 -1.77 5.36 -1.03 -1.52 117.98 114.61 1dua s PHE 30 Ca -0.07 1.71 -0.24 0.00 -0.96 0.00 0.00 56.93 57.37 1dua s PHE 30 Cb 0.13 0.56 0.05 0.00 -0.34 0.00 0.00 43.02 43.43 1dua s PHE 30 CO 0.89 -0.47 0.53 -1.54 -1.46 0.00 0.00 175.22 173.17 1dua s SER 31 N 2.26 -0.47 0.33 6.13 1.04 -0.77 -4.14 113.70 118.09 1dua s SER 31 Ca -0.06 0.39 -0.28 0.00 0.48 0.00 0.00 55.95 56.48 1dua s SER 31 Cb -0.07 0.46 -0.10 0.00 0.10 0.00 0.00 66.02 66.41 1dua s SER 31 CO -0.18 -0.60 1.21 -0.75 0.98 0.00 0.00 173.24 173.90 1dua s LYS 32 N -1.60 4.38 -0.27 4.02 2.20 -1.26 -0.42 119.74 126.80 1dua s LYS 32 Ca -0.10 2.01 -0.22 0.00 -0.36 0.00 0.00 55.97 57.29 1dua s LYS 32 Cb -0.02 -3.03 -0.01 0.00 -1.51 0.00 0.00 37.83 33.27 1dua s LYS 32 CO 0.05 -0.09 0.73 0.08 -0.36 0.00 0.00 175.35 175.76 1dua s VAL 33 N -1.20 4.89 0.87 4.02 1.01 0.11 -4.83 120.40 125.27 1dua s VAL 33 Ca 0.49 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.61 1dua s VAL 33 Cb -0.35 -4.05 0.12 0.00 0.00 0.00 0.00 36.38 32.09 1dua s VAL 33 CO 0.46 -0.09 1.09 1.51 0.00 0.00 0.00 175.10 178.08 1dua s ASP 34 N 1.48 3.69 0.30 3.32 1.47 -1.26 -4.73 116.67 120.93 1dua s ASP 34 Ca 0.30 1.46 0.05 0.00 1.18 0.00 0.00 52.55 55.55 1dua s ASP 34 Cb -0.15 -2.15 0.76 0.00 -0.34 0.00 0.00 42.92 41.04 1dua s ASP 34 CO 0.09 -2.50 1.71 -0.33 0.68 0.00 0.00 175.17 174.83 1dua h GLU 35 N -1.45 0.47 -0.19 2.11 5.08 -1.99 -0.64 114.58 117.97 1dua h GLU 35 Ca -0.49 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1dua h GLU 35 Cb 1.28 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1dua h GLU 35 CO 0.55 0.31 0.07 0.87 -1.00 0.00 0.00 179.01 179.82 1dua h LYS 36 N 0.48 0.28 0.00 2.33 6.56 -2.01 -2.99 116.57 121.22 1dua h LYS 36 Ca 0.58 -0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 60.05 1dua h LYS 36 Cb 1.08 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.68 1dua h LYS 36 CO -0.50 0.35 -0.30 -0.44 -2.06 0.00 0.00 179.45 176.51 1dua h ASP 37 N 0.15 0.00 0.54 0.86 3.32 -1.66 -3.15 116.42 116.47 1dua h ASP 37 Ca 0.06 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1dua h ASP 37 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1dua h ASP 37 CO -0.00 0.30 -0.16 -0.09 -1.72 0.00 0.00 179.24 177.57 1dua h ARG 38 N 0.00 0.00 -0.00 3.56 2.43 -1.00 -2.06 114.38 117.30 1dua h ARG 38 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dua h ARG 38 Cb 0.93 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1dua h ARG 38 CO 0.04 0.16 -0.28 1.04 -1.51 0.00 0.00 179.97 179.41 1dua n GLN 39 N -3.56 0.30 -3.77 0.20 6.02 -1.19 -3.38 117.38 112.00 1dua n GLN 39 Ca -0.01 -0.14 -0.20 0.00 -0.01 0.00 0.00 57.00 56.63 1dua n GLN 39 Cb 0.30 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.04 1dua n GLN 39 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1dua s LYS 40 N -2.79 3.03 0.29 -1.09 1.02 -0.78 -4.80 119.74 114.62 1dua s LYS 40 Ca 0.18 -1.06 -0.27 0.00 0.02 0.00 0.00 55.97 54.84 1dua s LYS 40 Cb 0.19 -2.69 -0.10 0.00 -0.52 0.00 0.00 37.83 34.71 1dua s LYS 40 CO 0.59 0.20 0.95 -0.47 -0.92 0.00 0.00 175.35 175.69 1dua s TYR 41 N -2.17 3.79 -1.37 3.18 6.14 -1.26 -1.10 117.35 124.56 1dua s TYR 41 Ca 0.40 1.83 0.27 0.00 0.64 0.00 0.00 57.07 60.20 1dua s TYR 41 Cb -0.08 -2.95 0.79 0.00 0.42 0.00 0.00 41.96 40.14 1dua s TYR 41 CO 0.28 0.27 1.60 -0.35 0.64 0.00 0.00 175.55 177.99 1dua n PRO 42 N 0.89 0.41 -0.33 4.97 -0.04 -1.26 -4.90 135.00 134.73 1dua n PRO 42 Ca 0.01 -0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.37 1dua n PRO 42 Cb 0.49 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.78 1dua n PRO 42 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1dua h TYR 43 N 0.51 0.99 0.00 0.54 0.05 -1.65 -1.16 116.97 116.26 1dua h TYR 43 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1dua h TYR 43 Cb 0.48 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1dua h TYR 43 CO 0.00 0.30 0.00 0.27 -1.05 0.00 0.00 178.16 177.68 1dua n ASN 44 N -4.66 0.00 -0.05 3.88 0.23 -0.26 -1.82 115.26 112.58 1dua n ASN 44 Ca 0.21 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.39 1dua n ASN 44 Cb 0.51 -0.27 0.45 0.00 -2.08 0.00 0.00 39.78 38.38 1dua n ASN 44 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1dua n THR 45 N -1.27 0.00 -3.22 5.53 -2.24 -0.44 -4.64 114.28 108.00 1dua n THR 45 Ca 0.09 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.45 1dua n THR 45 Cb 0.14 -0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 1dua n THR 45 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1dua s ILE 46 N -2.82 4.93 0.20 2.28 -1.09 -0.76 -1.22 121.20 122.72 1dua s ILE 46 Ca 0.18 1.21 -0.01 0.00 -2.23 0.00 0.00 60.65 59.80 1dua s ILE 46 Cb 0.19 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1dua s ILE 46 CO 0.58 0.42 0.13 -0.83 -1.23 0.00 0.00 174.94 174.01 1dua s GLY 47 N -0.17 1.39 -0.21 6.18 0.00 -0.50 -1.53 107.32 112.48 1dua s GLY 47 Ca 0.30 -1.67 -0.10 0.00 0.00 0.00 0.00 44.72 43.26 1dua s GLY 47 CO 0.17 -1.38 0.14 0.21 0.00 0.00 0.00 173.10 172.23 1dua s ASN 48 N -3.15 6.19 -0.36 1.64 3.84 -0.13 -1.88 114.94 121.09 1dua s ASN 48 Ca 0.37 0.20 -0.15 0.00 0.21 0.00 0.00 52.86 53.50 1dua s ASN 48 Cb 0.07 -2.09 -0.01 0.00 -0.55 0.00 0.00 41.25 38.67 1dua s ASN 48 CO 0.11 0.15 0.34 -0.69 -2.79 0.00 0.00 177.10 174.22 1dua s VAL 49 N 0.53 5.19 -0.24 -5.21 1.01 0.28 -0.59 120.40 121.37 1dua s VAL 49 Ca 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1dua s VAL 49 Cb -0.12 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1dua s VAL 49 CO -0.00 -0.13 -0.03 0.12 0.00 0.00 0.00 175.10 175.06 1dua s PHE 50 N 1.95 3.02 -0.36 5.22 5.36 0.45 -1.14 117.98 132.47 1dua s PHE 50 Ca 0.10 -1.11 -0.07 0.00 -0.96 0.00 0.00 56.93 54.89 1dua s PHE 50 Cb -0.17 -2.12 0.05 0.00 -0.34 0.00 0.00 43.02 40.44 1dua s PHE 50 CO 0.12 -0.60 0.13 0.08 -1.46 0.00 0.00 175.22 173.49 1dua s VAL 51 N 1.44 3.83 -0.45 3.12 1.01 -0.47 -0.22 120.40 128.66 1dua s VAL 51 Ca 0.04 -1.22 -0.45 0.00 0.00 0.00 0.00 61.98 60.35 1dua s VAL 51 Cb -0.15 -3.22 -0.19 0.00 0.00 0.00 0.00 36.38 32.81 1dua s VAL 51 CO -0.03 -0.26 1.50 2.29 0.00 0.00 0.00 175.10 178.60 1dua n LYS 52 N 4.82 0.00 -3.24 2.72 -0.00 -0.65 -1.20 118.16 120.61 1dua n LYS 52 Ca -0.11 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 57.97 1dua n LYS 52 Cb 0.44 -1.44 0.00 0.00 -0.00 0.00 0.00 35.03 34.04 1dua n LYS 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dua n GLY 53 N 3.67 -0.49 1.98 2.58 0.00 -1.26 -4.74 105.19 106.92 1dua n GLY 53 Ca 0.29 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1dua n GLY 53 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dua n GLN 54 N -3.75 0.00 -3.65 1.61 1.13 -0.34 -5.16 117.38 107.22 1dua n GLN 54 Ca -0.04 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.00 1dua n GLN 54 Cb 0.56 -0.01 -0.01 0.00 0.11 0.00 0.00 30.24 30.89 1dua n GLN 54 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1dua s THR 55 N -2.00 0.00 -0.20 5.09 -1.32 -0.97 -5.03 115.64 111.21 1dua s THR 55 Ca 0.00 -0.31 -0.04 0.00 -1.21 0.00 0.00 61.69 60.13 1dua s THR 55 Cb 0.00 -1.77 0.08 0.00 -1.51 0.00 0.00 72.50 69.30 1dua s THR 55 CO 0.00 0.00 0.13 -0.55 -2.21 0.00 0.00 174.62 171.99 1dua s SER 56 N -2.81 2.28 0.00 8.08 0.15 -1.26 -1.37 113.70 118.77 1dua s SER 56 Ca 0.12 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1dua s SER 56 Cb 0.02 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1dua s SER 56 CO -0.03 -0.36 0.00 0.00 1.20 0.00 0.00 173.24 174.05 1dua n ALA 57 N 5.29 0.00 -2.44 5.45 0.00 -0.29 -4.59 120.51 123.92 1dua n ALA 57 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 1dua n ALA 57 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 1dua n ALA 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dua s THR 58 N 0.96 2.33 0.06 0.00 2.01 -0.63 -0.56 115.64 119.81 1dua s THR 58 Ca 0.00 -2.16 -0.12 0.00 0.31 0.00 0.00 61.69 59.72 1dua s THR 58 Cb 0.00 -2.16 0.02 0.00 0.01 0.00 0.00 72.50 70.37 1dua s THR 58 CO 0.00 -0.25 0.28 -0.83 -0.69 0.00 0.00 174.62 173.13 1dua s GLY 59 N -2.98 -0.08 -0.11 4.40 0.00 -0.79 -4.22 107.32 103.54 1dua s GLY 59 Ca 0.24 -0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.82 1dua s GLY 59 CO 0.11 -0.38 -0.22 0.14 0.00 0.00 0.00 173.10 172.75 1dua s VAL 60 N -2.97 1.99 -0.38 1.40 1.01 -0.19 -1.41 120.40 119.85 1dua s VAL 60 Ca -0.02 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 1dua s VAL 60 Cb 0.01 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.66 1dua s VAL 60 CO -0.06 0.54 1.37 -0.22 0.00 0.00 0.00 175.10 176.73 1dua s LEU 61 N 0.56 3.69 0.00 3.92 2.96 -0.36 -0.61 118.68 128.84 1dua s LEU 61 Ca -0.14 0.95 0.07 0.00 -0.22 0.00 0.00 54.13 54.79 1dua s LEU 61 Cb -0.17 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 1dua s LEU 61 CO 0.04 -1.31 0.34 2.30 -1.32 0.00 0.00 176.35 176.40 1dua n ILE 62 N 6.78 0.00 -4.32 6.68 -5.35 -0.28 -1.01 119.36 121.87 1dua n ILE 62 Ca 0.16 -0.36 -0.20 0.00 -0.27 0.00 0.00 62.75 62.08 1dua n ILE 62 Cb 0.48 1.02 -0.08 0.00 -1.74 0.00 0.00 39.64 39.31 1dua n ILE 62 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1dua s GLY 63 N -1.50 2.33 0.33 3.28 0.00 -0.90 -4.66 107.32 106.19 1dua s GLY 63 Ca 0.03 -1.91 0.04 0.00 0.00 0.00 0.00 44.72 42.88 1dua s GLY 63 CO 0.25 -1.53 1.87 1.70 0.00 0.00 0.00 173.10 175.39 1dua h LYS 64 N 2.11 0.55 0.00 2.90 3.64 -1.89 -3.20 116.57 120.69 1dua h LYS 64 Ca -0.27 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 58.95 1dua h LYS 64 Cb 1.24 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 1dua h LYS 64 CO 0.41 0.57 -0.52 0.09 -2.27 0.00 0.00 179.45 177.72 1dua n ASN 65 N -4.28 0.76 -4.28 4.20 3.02 -0.81 -1.34 115.26 112.54 1dua n ASN 65 Ca 0.02 -2.33 -0.32 0.00 -0.03 0.00 0.00 54.58 51.92 1dua n ASN 65 Cb 0.24 -0.29 -0.16 0.00 -0.61 0.00 0.00 39.78 38.96 1dua n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1dua s THR 66 N -0.75 2.18 -0.10 3.41 2.01 -1.21 0.01 115.64 121.20 1dua s THR 66 Ca 0.16 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.19 1dua s THR 66 Cb 0.16 -1.81 -0.00 0.00 0.01 0.00 0.00 72.50 70.85 1dua s THR 66 CO -0.04 0.57 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.55 1dua s VAL 67 N -0.04 2.23 -0.21 3.82 1.01 0.10 -1.13 120.40 126.18 1dua s VAL 67 Ca -0.07 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 1dua s VAL 67 Cb -0.15 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1dua s VAL 67 CO 0.05 0.56 0.20 -0.22 0.00 0.00 0.00 175.10 175.69 1dua s LEU 68 N 0.23 4.17 0.00 3.92 2.96 0.22 -0.30 118.68 129.87 1dua s LEU 68 Ca -0.14 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1dua s LEU 68 Cb -0.17 -2.19 0.00 0.00 0.50 0.00 0.00 46.19 44.33 1dua s LEU 68 CO 0.07 0.09 0.00 1.07 -1.32 0.00 0.00 176.35 176.26 1dua n THR 69 N 3.97 0.00 -3.15 3.68 5.66 -0.88 -1.02 114.28 122.53 1dua n THR 69 Ca -0.14 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.54 1dua n THR 69 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 1dua n THR 69 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1dua s ASN 70 N -0.82 6.72 0.23 1.09 0.02 -1.26 -0.51 114.94 120.40 1dua s ASN 70 Ca 0.00 1.20 -0.05 0.00 -1.02 0.00 0.00 52.86 52.99 1dua s ASN 70 Cb 0.00 -2.34 0.23 0.00 0.02 0.00 0.00 41.25 39.16 1dua s ASN 70 CO 0.00 -0.21 1.73 -0.09 0.02 0.00 0.00 177.10 178.55 1dua h ARG 71 N 2.18 0.94 0.00 -0.60 2.43 -1.66 -1.79 114.38 115.88 1dua h ARG 71 Ca -0.48 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 58.40 1dua h ARG 71 Cb 1.18 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1dua h ARG 71 CO 0.66 0.90 -0.22 1.12 -1.51 0.00 0.00 179.97 180.92 1dua h HIS 72 N 0.88 0.00 -0.01 2.20 2.07 -1.90 -1.08 115.15 117.31 1dua h HIS 72 Ca 0.17 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.55 1dua h HIS 72 Cb 0.44 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.43 1dua h HIS 72 CO 0.03 0.22 -0.57 0.82 -3.07 0.00 0.00 177.93 175.36 1dua h ILE 73 N 0.00 1.43 -0.24 6.12 1.08 -1.85 -3.23 117.51 120.83 1dua h ILE 73 Ca -0.00 -2.05 -0.02 0.00 -0.39 0.00 0.00 64.86 62.40 1dua h ILE 73 Cb 0.50 2.58 -0.01 0.00 -3.07 0.00 0.00 36.82 36.81 1dua h ILE 73 CO 0.03 0.59 0.05 0.00 -0.69 0.00 0.00 178.15 178.13 1dua h ALA 74 N 0.33 1.65 0.00 1.87 0.00 -0.92 -1.92 119.26 120.26 1dua h ALA 74 Ca -0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1dua h ALA 74 Cb 1.28 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1dua h ALA 74 CO 0.11 0.27 -0.00 0.87 0.00 0.00 0.00 179.25 180.50 1dua h LYS 75 N 0.33 0.00 0.00 0.00 1.57 -1.22 -1.67 116.57 115.57 1dua h LYS 75 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1dua h LYS 75 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1dua h LYS 75 CO -0.00 0.00 0.00 0.74 -0.57 0.00 0.00 179.45 179.62 1dua h PHE 76 N 0.00 0.00 0.00 -1.35 0.04 -1.46 -2.37 116.94 111.80 1dua h PHE 76 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1dua h PHE 76 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1dua h PHE 76 CO 0.00 0.00 -0.66 0.00 -0.60 0.00 0.00 178.31 177.05 1dua n ALA 77 N -1.86 3.74 -3.60 2.45 0.00 -0.63 -4.99 120.51 115.63 1dua n ALA 77 Ca -0.01 -0.40 -0.26 0.00 0.00 0.00 0.00 53.44 52.77 1dua n ALA 77 Cb 0.12 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 18.58 1dua n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1dua n ASN 78 N -1.58 -4.87 0.00 0.00 4.13 -0.89 -1.53 115.26 110.51 1dua n ASN 78 Ca 0.05 -0.92 0.00 0.00 1.68 0.00 0.00 54.58 55.38 1dua n ASN 78 Cb 0.35 -3.86 0.00 0.00 -1.54 0.00 0.00 39.78 34.73 1dua n ASN 78 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dua n GLY 79 N -1.58 0.00 3.51 7.41 0.00 -1.26 -4.89 105.19 108.38 1dua n GLY 79 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1dua n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dua s ASP 80 N -1.75 6.31 0.36 1.61 2.15 -0.58 -4.77 116.67 120.00 1dua s ASP 80 Ca 0.00 -0.46 0.04 0.00 0.43 0.00 0.00 52.55 52.56 1dua s ASP 80 Cb 0.00 -2.42 0.69 0.00 -0.30 0.00 0.00 42.92 40.89 1dua s ASP 80 CO 0.00 -1.20 2.00 -0.65 -0.17 0.00 0.00 175.17 175.15 1dua h PRO 81 N 9.29 0.78 0.00 4.34 0.11 -1.86 -2.37 132.00 142.28 1dua h PRO 81 Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1dua h PRO 81 Cb 1.08 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1dua h PRO 81 CO 1.08 0.51 0.00 -1.13 -0.21 0.00 0.00 178.00 178.26 1dua n SER 82 N -4.45 0.53 0.08 -2.05 3.41 -1.26 -1.41 113.62 108.47 1dua n SER 82 Ca 0.07 0.75 0.12 0.00 -0.26 0.00 0.00 58.87 59.55 1dua n SER 82 Cb 0.10 -0.81 0.21 0.00 -0.26 0.00 0.00 64.21 63.45 1dua n SER 82 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1dua h LYS 83 N 0.00 0.00 -6.14 4.33 1.79 -1.77 -3.46 116.57 111.32 1dua h LYS 83 Ca 0.00 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.80 1dua h LYS 83 Cb 0.01 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.51 1dua h LYS 83 CO 0.00 0.00 -0.65 0.08 -1.08 0.00 0.00 179.45 177.80 1dua s VAL 84 N -3.17 4.11 0.06 0.50 1.01 -0.50 -1.63 120.40 120.79 1dua s VAL 84 Ca 0.07 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1dua s VAL 84 Cb 0.12 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1dua s VAL 84 CO 0.70 0.43 -0.10 -0.55 0.00 0.00 0.00 175.10 175.57 1dua s SER 85 N -1.40 1.23 -0.13 3.32 0.15 0.69 -3.99 113.70 113.57 1dua s SER 85 Ca 0.18 -0.61 0.02 0.00 0.70 0.00 0.00 55.95 56.24 1dua s SER 85 Cb -0.11 0.00 0.01 0.00 -1.71 0.00 0.00 66.02 64.21 1dua s SER 85 CO 0.08 -0.17 -0.21 0.12 1.20 0.00 0.00 173.24 174.27 1dua s PHE 86 N -1.49 2.55 -0.47 3.44 5.36 -0.48 -0.42 117.98 126.47 1dua s PHE 86 Ca -0.05 -1.27 0.04 0.00 -0.96 0.00 0.00 56.93 54.69 1dua s PHE 86 Cb -0.09 -1.75 0.12 0.00 -0.34 0.00 0.00 43.02 40.97 1dua s PHE 86 CO 0.01 -0.58 0.21 1.03 -1.46 0.00 0.00 175.22 174.43 1dua s ARG 87 N 0.82 1.80 0.13 10.12 0.52 0.24 -0.65 118.95 131.93 1dua s ARG 87 Ca -0.07 -2.40 -0.31 0.00 -0.52 0.00 0.00 55.73 52.43 1dua s ARG 87 Cb -0.16 -3.19 -0.08 0.00 0.52 0.00 0.00 34.95 32.04 1dua s ARG 87 CO -0.01 -1.08 1.40 -1.25 0.02 0.00 0.00 175.30 174.38 1dua s PRO 88 N 0.03 4.31 -1.42 3.54 0.04 -1.26 -0.96 135.00 139.28 1dua s PRO 88 Ca 0.16 2.12 -0.01 0.00 0.04 0.00 0.00 61.00 63.30 1dua s PRO 88 Cb -0.24 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.08 1dua s PRO 88 CO -0.02 -0.44 0.13 0.43 0.04 0.00 0.00 177.00 177.14 1dua n SER 89 N 3.76 -4.96 -4.75 6.66 7.64 -0.58 -4.52 113.62 116.87 1dua n SER 89 Ca 0.11 -0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.62 1dua n SER 89 Cb 0.42 -4.13 0.03 0.00 -1.01 0.00 0.00 64.21 59.52 1dua n SER 89 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1dua s ILE 90 N -2.88 2.55 -0.11 0.44 2.07 -1.19 -4.60 121.20 117.48 1dua s ILE 90 Ca 0.08 0.36 -0.06 0.00 -1.41 0.00 0.00 60.65 59.61 1dua s ILE 90 Cb -0.04 -3.15 0.04 0.00 0.13 0.00 0.00 42.46 39.45 1dua s ILE 90 CO 0.10 -0.06 0.26 0.21 -1.91 0.00 0.00 174.94 173.54 1dua s ASN 91 N -1.49 -0.29 -0.18 4.50 3.84 -0.55 -4.57 114.94 116.20 1dua s ASN 91 Ca 0.76 0.56 0.01 0.00 0.21 0.00 0.00 52.86 54.40 1dua s ASN 91 Cb -0.32 0.46 0.03 0.00 -0.55 0.00 0.00 41.25 40.88 1dua s ASN 91 CO 0.35 -0.15 -0.13 -0.89 -2.79 0.00 0.00 177.10 173.49 1dua s THR 92 N 1.07 1.68 1.04 -5.21 2.01 -0.48 -0.23 115.64 115.52 1dua s THR 92 Ca -0.08 -0.87 -0.17 0.00 0.31 0.00 0.00 61.69 60.88 1dua s THR 92 Cb -0.09 -1.66 0.24 0.00 0.01 0.00 0.00 72.50 71.00 1dua s THR 92 CO -0.07 0.33 1.28 1.51 -0.69 0.00 0.00 174.62 176.97 1dua s ASP 93 N 1.41 2.38 0.00 3.53 1.47 -0.42 -4.65 116.67 120.39 1dua s ASP 93 Ca 0.02 0.30 0.09 0.00 1.18 0.00 0.00 52.55 54.14 1dua s ASP 93 Cb -0.15 -0.34 0.46 0.00 -0.34 0.00 0.00 42.92 42.56 1dua s ASP 93 CO -0.10 -3.19 1.19 0.47 0.68 0.00 0.00 175.17 174.23 1dua n ASP 94 N -4.08 0.00 -0.87 2.11 8.00 -1.26 -2.08 116.55 118.37 1dua n ASP 94 Ca 0.16 0.19 0.07 0.00 0.71 0.00 0.00 54.79 55.92 1dua n ASP 94 Cb 0.59 -0.31 0.23 0.00 -0.02 0.00 0.00 41.12 41.61 1dua n ASP 94 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1dua n ASN 95 N -1.31 3.63 0.00 -2.24 5.03 -1.26 -4.96 115.26 114.15 1dua n ASN 95 Ca 0.04 -2.60 0.00 0.00 0.87 0.00 0.00 54.58 52.89 1dua n ASN 95 Cb 0.08 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.41 1dua n ASN 95 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dua n GLY 96 N 0.00 0.64 3.62 7.41 0.00 -0.89 -5.01 105.19 110.96 1dua n GLY 96 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1dua n GLY 96 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dua s ASN 97 N -2.24 6.73 -0.16 1.61 3.04 -1.26 -4.86 114.94 117.79 1dua s ASN 97 Ca 0.00 0.72 -0.06 0.00 0.04 0.00 0.00 52.86 53.56 1dua s ASN 97 Cb 0.00 -2.45 -0.04 0.00 -1.54 0.00 0.00 41.25 37.22 1dua s ASN 97 CO 0.00 -0.74 0.04 -0.89 -3.04 0.00 0.00 177.10 172.47 1dua s THR 98 N 3.25 4.64 -0.01 -5.21 2.01 -1.26 -1.30 115.64 117.75 1dua s THR 98 Ca 0.37 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.33 1dua s THR 98 Cb -0.13 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 1dua s THR 98 CO 0.15 0.49 -0.17 -1.83 -0.69 0.00 0.00 174.62 172.57 1dua s GLU 99 N 0.15 1.40 -0.51 4.92 -1.05 0.68 -4.99 118.70 119.31 1dua s GLU 99 Ca 0.04 -0.62 0.04 0.00 -0.15 0.00 0.00 54.97 54.28 1dua s GLU 99 Cb -0.12 -1.35 0.16 0.00 -0.44 0.00 0.00 34.13 32.37 1dua s GLU 99 CO 0.01 0.37 0.36 0.95 0.95 0.00 0.00 175.26 177.90 1dua s THR 100 N -0.39 1.44 0.55 1.83 -4.23 -1.26 -1.48 115.64 112.10 1dua s THR 100 Ca 0.06 -3.15 0.31 0.00 -1.18 0.00 0.00 61.69 57.74 1dua s THR 100 Cb -0.07 -1.97 0.47 0.00 1.34 0.00 0.00 72.50 72.27 1dua s THR 100 CO -0.01 -1.07 1.88 1.55 -0.54 0.00 0.00 174.62 176.43 1dua h PRO 101 N 5.86 0.00 -0.17 3.99 0.13 -1.81 -0.59 132.00 139.40 1dua h PRO 101 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1dua h PRO 101 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1dua h PRO 101 CO 0.51 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.94 1dua n TYR 102 N -4.16 0.33 -3.45 1.56 4.01 -1.26 -5.10 117.16 109.09 1dua n TYR 102 Ca 0.17 -0.63 0.00 0.00 -0.16 0.00 0.00 57.90 57.28 1dua n TYR 102 Cb 0.93 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.86 1dua n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dua n GLY 103 N -0.24 -2.02 3.21 2.72 0.00 -0.23 -4.93 105.19 103.70 1dua n GLY 103 Ca 0.10 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 1dua n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dua s GLU 104 N 0.00 2.16 -0.01 1.61 2.12 -1.26 -4.33 118.70 118.99 1dua s GLU 104 Ca 0.00 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.59 1dua s GLU 104 Cb 0.00 -1.86 -0.03 0.00 0.26 0.00 0.00 34.13 32.50 1dua s GLU 104 CO 0.00 0.32 -0.07 0.71 -0.54 0.00 0.00 175.26 175.68 1dua s TYR 105 N -0.09 2.89 0.40 5.30 1.51 0.17 -4.96 117.35 122.56 1dua s TYR 105 Ca -0.03 -0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 55.97 1dua s TYR 105 Cb -0.12 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 1dua s TYR 105 CO 0.03 0.36 0.66 -1.21 -1.11 0.00 0.00 175.55 174.27 1dua s GLU 106 N -1.26 3.54 -0.16 -0.62 2.02 -1.26 -1.38 118.70 119.58 1dua s GLU 106 Ca 0.16 -0.03 -0.06 0.00 0.02 0.00 0.00 54.97 55.06 1dua s GLU 106 Cb -0.11 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 1dua s GLU 106 CO 0.06 0.00 0.05 0.08 0.02 0.00 0.00 175.26 175.47 1dua s VAL 107 N -2.46 4.68 -0.08 2.63 1.01 -1.26 -0.95 120.40 123.98 1dua s VAL 107 Ca 0.44 -0.08 0.21 0.00 0.00 0.00 0.00 61.98 62.55 1dua s VAL 107 Cb -0.10 -3.08 -0.29 0.00 0.00 0.00 0.00 36.38 32.91 1dua s VAL 107 CO 0.39 0.50 0.45 2.29 0.00 0.00 0.00 175.10 178.72 1dua n LYS 108 N 3.20 0.66 -3.63 2.72 2.85 0.29 -4.51 118.16 119.74 1dua n LYS 108 Ca -0.17 -0.13 -0.13 0.00 -1.05 0.00 0.00 58.31 56.83 1dua n LYS 108 Cb 0.53 -1.55 -0.07 0.00 -0.65 0.00 0.00 35.03 33.29 1dua n LYS 108 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1dua s GLU 109 N -3.29 0.80 -0.19 -1.58 2.12 -1.14 -4.89 118.70 110.54 1dua s GLU 109 Ca -0.08 0.93 -0.02 0.00 0.36 0.00 0.00 54.97 56.16 1dua s GLU 109 Cb 0.12 0.39 -0.01 0.00 0.26 0.00 0.00 34.13 34.89 1dua s GLU 109 CO 0.88 -0.10 -0.09 0.42 -0.54 0.00 0.00 175.26 175.84 1dua s ILE 110 N 0.32 3.13 -0.64 -3.70 1.01 -1.26 -1.01 121.20 119.05 1dua s ILE 110 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 1dua s ILE 110 Cb -0.05 -2.38 0.16 0.00 0.01 0.00 0.00 42.46 40.20 1dua s ILE 110 CO 0.00 0.47 0.54 -0.76 0.00 0.00 0.00 174.94 175.18 1dua s LEU 111 N 1.15 6.07 0.24 2.97 1.02 -0.44 -4.96 118.68 124.73 1dua s LEU 111 Ca 0.01 -2.34 -0.06 0.00 0.02 0.00 0.00 54.13 51.77 1dua s LEU 111 Cb -0.14 -2.09 0.28 0.00 0.02 0.00 0.00 46.19 44.26 1dua s LEU 111 CO -0.02 -0.62 1.90 -0.61 0.02 0.00 0.00 176.35 177.01 1dua h GLN 112 N 8.03 1.17 -0.76 1.70 4.15 -1.93 -1.88 115.11 125.59 1dua h GLN 112 Ca -0.08 -0.07 -0.33 0.00 0.77 0.00 0.00 58.65 58.94 1dua h GLN 112 Cb 1.04 -0.26 -0.27 0.00 0.21 0.00 0.00 27.48 28.20 1dua h GLN 112 CO 0.83 0.77 -0.78 -0.85 -1.93 0.00 0.00 178.83 176.87 1dua n GLU 113 N -4.48 1.07 0.19 1.69 0.28 -1.26 -4.45 120.64 113.67 1dua n GLU 113 Ca 0.12 -2.57 0.13 0.00 -0.16 0.00 0.00 57.16 54.68 1dua n GLU 113 Cb 0.07 -1.06 0.67 0.00 1.43 0.00 0.00 31.44 32.55 1dua n GLU 113 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1dua h PRO 114 N 2.79 0.00 -0.21 3.44 0.13 -1.79 -1.08 132.00 135.29 1dua h PRO 114 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1dua h PRO 114 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1dua h PRO 114 CO 0.26 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.22 1dua n PHE 115 N -2.40 0.25 0.00 1.56 3.01 -1.26 -5.05 117.46 113.57 1dua n PHE 115 Ca -0.01 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1dua n PHE 115 Cb 0.08 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1dua n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dua n GLY 116 N 1.20 2.96 0.29 1.37 0.00 -0.41 -4.67 105.19 105.94 1dua n GLY 116 Ca 0.15 -1.74 0.19 0.00 0.00 0.00 0.00 46.02 44.62 1dua n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dua h ALA 117 N 0.00 1.00 -0.61 4.61 0.00 -1.98 -2.67 119.26 119.62 1dua h ALA 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dua h ALA 117 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1dua h ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1dua n GLY 118 N -0.55 2.45 3.08 0.00 0.00 -1.26 -4.77 105.19 104.15 1dua n GLY 118 Ca -0.01 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 1dua n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dua s VAL 119 N -1.74 1.94 -0.77 1.61 1.01 -1.01 -5.04 120.40 116.40 1dua s VAL 119 Ca 0.47 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1dua s VAL 119 Cb 0.30 -1.83 -0.17 0.00 0.00 0.00 0.00 36.38 34.68 1dua s VAL 119 CO 0.24 0.41 3.11 -0.67 0.00 0.00 0.00 175.10 178.20 1dua n ASP 120 N 4.63 6.55 -4.10 3.32 2.03 -1.26 -4.72 116.55 123.00 1dua n ASP 120 Ca -0.19 -2.47 -0.16 0.00 0.52 0.00 0.00 54.79 52.49 1dua n ASP 120 Cb 0.49 -1.40 -0.12 0.00 -0.72 0.00 0.00 41.12 39.36 1dua n ASP 120 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1dua s LEU 121 N 0.08 2.22 0.05 -2.67 1.43 -1.26 -2.93 118.68 115.61 1dua s LEU 121 Ca 0.64 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1dua s LEU 121 Cb 0.23 -0.36 -0.02 0.00 0.03 0.00 0.00 46.19 46.07 1dua s LEU 121 CO -0.03 -0.09 0.07 0.00 0.23 0.00 0.00 176.35 176.53 1dua s ALA 122 N -1.12 0.11 -0.08 4.21 0.00 0.33 -3.98 121.76 121.24 1dua s ALA 122 Ca -0.04 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1dua s ALA 122 Cb -0.09 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1dua s ALA 122 CO 0.01 -0.38 -0.09 -0.51 0.00 0.00 0.00 175.76 174.79 1dua s LEU 123 N -2.57 3.03 -0.13 0.00 1.43 -0.71 -2.08 118.68 117.65 1dua s LEU 123 Ca 0.01 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1dua s LEU 123 Cb 0.03 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1dua s LEU 123 CO -0.08 0.32 -0.20 -0.63 0.23 0.00 0.00 176.35 175.99 1dua s ILE 124 N -0.58 1.91 -0.20 -0.59 -1.09 0.58 -1.32 121.20 119.91 1dua s ILE 124 Ca 0.08 -0.88 -0.09 0.00 -2.23 0.00 0.00 60.65 57.53 1dua s ILE 124 Cb -0.12 -1.70 -0.05 0.00 -1.58 0.00 0.00 42.46 39.02 1dua s ILE 124 CO 0.02 0.52 0.10 -0.13 -1.23 0.00 0.00 174.94 174.22 1dua s ARG 125 N 0.89 4.08 0.16 2.79 0.52 -0.18 0.01 118.95 127.22 1dua s ARG 125 Ca -0.06 -0.28 0.01 0.00 -0.52 0.00 0.00 55.73 54.87 1dua s ARG 125 Cb -0.15 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 1dua s ARG 125 CO -0.03 0.26 0.32 -0.51 0.02 0.00 0.00 175.30 175.36 1dua s LEU 126 N 0.45 4.30 0.46 2.53 1.43 0.10 -0.54 118.68 127.41 1dua s LEU 126 Ca 0.06 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.37 1dua s LEU 126 Cb -0.12 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 1dua s LEU 126 CO -0.00 0.03 0.79 -0.54 0.23 0.00 0.00 176.35 176.85 1dua s LYS 127 N -3.17 3.61 0.87 1.70 1.02 -0.13 -4.68 119.74 118.97 1dua s LYS 127 Ca 0.36 0.29 -0.13 0.00 0.02 0.00 0.00 55.97 56.51 1dua s LYS 127 Cb -0.11 -2.37 0.12 0.00 -0.52 0.00 0.00 37.83 34.95 1dua s LYS 127 CO 0.28 -0.17 1.21 -2.14 -0.92 0.00 0.00 175.35 173.62 1dua s PRO 128 N -4.50 1.47 0.65 -1.68 0.02 -1.26 -4.58 135.00 125.11 1dua s PRO 128 Ca 0.49 -0.00 -0.11 0.00 0.02 0.00 0.00 61.00 61.40 1dua s PRO 128 Cb -0.10 -1.90 0.16 0.00 0.02 0.00 0.00 34.50 32.67 1dua s PRO 128 CO 0.41 -1.92 0.56 -0.40 -0.33 0.00 0.00 177.00 175.32 1dua n ASP 129 N -3.52 -1.70 0.00 2.53 5.68 0.13 -4.71 116.55 114.97 1dua n ASP 129 Ca 0.10 -0.81 0.04 0.00 -0.50 0.00 0.00 54.79 53.62 1dua n ASP 129 Cb 0.60 -0.52 0.21 0.00 -1.14 0.00 0.00 41.12 40.27 1dua n ASP 129 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dua n GLN 130 N -3.30 0.04 0.00 0.11 10.64 -1.26 -0.47 117.38 123.15 1dua n GLN 130 Ca 0.08 0.30 0.12 0.00 -1.83 0.00 0.00 57.00 55.67 1dua n GLN 130 Cb 0.31 -1.50 0.13 0.00 -0.86 0.00 0.00 30.24 28.32 1dua n GLN 130 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1dua n ASN 131 N -1.43 2.84 0.00 2.61 5.15 -1.26 -4.93 115.26 118.24 1dua n ASN 131 Ca 0.03 -1.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.07 1dua n ASN 131 Cb 0.10 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 1dua n ASN 131 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dua n GLY 132 N 1.34 0.53 3.64 8.20 0.00 0.38 -5.03 105.19 114.25 1dua n GLY 132 Ca 0.14 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 1dua n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dua s VAL 133 N -2.00 5.22 0.52 1.61 1.01 -1.26 -4.74 120.40 120.77 1dua s VAL 133 Ca 0.00 0.55 -0.18 0.00 0.00 0.00 0.00 61.98 62.35 1dua s VAL 133 Cb 0.00 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 1dua s VAL 133 CO 0.00 0.23 1.03 -0.44 0.00 0.00 0.00 175.10 175.92 1dua s SER 134 N 1.30 6.23 0.25 3.32 0.01 -1.26 0.23 113.70 123.78 1dua s SER 134 Ca 0.15 1.82 -0.04 0.00 1.31 0.00 0.00 55.95 59.19 1dua s SER 134 Cb -0.15 -2.54 0.29 0.00 0.21 0.00 0.00 66.02 63.83 1dua s SER 134 CO 0.08 -0.86 1.82 0.25 0.41 0.00 0.00 173.24 174.94 1dua h LEU 135 N 1.11 0.95 0.00 2.44 5.85 -1.87 -2.02 115.31 121.77 1dua h LEU 135 Ca -0.48 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1dua h LEU 135 Cb 1.21 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1dua h LEU 135 CO 0.59 0.85 0.00 0.61 -0.34 0.00 0.00 178.44 180.15 1dua n GLY 136 N -0.93 -0.77 0.10 3.75 0.00 -0.45 -1.36 105.19 105.53 1dua n GLY 136 Ca 0.06 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1dua n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dua n ASP 137 N -1.42 0.75 -0.02 1.61 8.00 -0.76 -4.07 116.55 120.63 1dua n ASP 137 Ca 0.03 0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.69 1dua n ASP 137 Cb 0.11 0.63 -0.14 0.00 -0.02 0.00 0.00 41.12 41.70 1dua n ASP 137 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1dua n LYS 138 N -2.63 0.68 -4.38 -1.24 5.02 -0.47 -4.91 118.16 110.23 1dua n LYS 138 Ca -0.01 0.26 -0.20 0.00 -2.02 0.00 0.00 58.31 56.35 1dua n LYS 138 Cb 0.55 -1.74 -0.15 0.00 -0.02 0.00 0.00 35.03 33.67 1dua n LYS 138 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1dua s ILE 139 N -2.57 0.75 0.13 -0.18 1.01 -0.57 -5.13 121.20 114.64 1dua s ILE 139 Ca -0.12 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 1dua s ILE 139 Cb 0.07 -0.66 -0.07 0.00 0.01 0.00 0.00 42.46 41.82 1dua s ILE 139 CO 0.80 0.23 1.17 -0.44 0.00 0.00 0.00 174.94 176.70 1dua s SER 140 N 0.02 7.13 0.91 3.58 0.01 -1.26 -4.15 113.70 119.94 1dua s SER 140 Ca -0.00 2.11 -0.11 0.00 1.31 0.00 0.00 55.95 59.26 1dua s SER 140 Cb -0.06 -2.60 0.14 0.00 0.21 0.00 0.00 66.02 63.71 1dua s SER 140 CO 0.00 -0.37 1.10 -2.84 0.41 0.00 0.00 173.24 171.54 1dua s PRO 141 N 0.24 1.10 0.46 12.44 0.02 -1.26 -4.80 135.00 143.20 1dua s PRO 141 Ca 0.54 1.16 -0.24 0.00 0.02 0.00 0.00 61.00 62.48 1dua s PRO 141 Cb -0.31 -1.76 -0.07 0.00 0.02 0.00 0.00 34.50 32.38 1dua s PRO 141 CO 0.33 -2.45 1.36 0.00 -0.33 0.00 0.00 177.00 175.92 1dua s ALA 142 N -2.76 3.12 0.07 -1.55 0.00 -0.18 -4.98 121.76 115.49 1dua s ALA 142 Ca 0.65 1.34 -0.28 0.00 0.00 0.00 0.00 51.96 53.66 1dua s ALA 142 Cb -0.20 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 1dua s ALA 142 CO 0.58 -1.11 0.89 0.15 0.00 0.00 0.00 175.76 176.28 1dua s LYS 143 N -2.53 4.60 -0.23 0.00 1.02 -1.26 -4.80 119.74 116.54 1dua s LYS 143 Ca 0.63 1.30 -0.16 0.00 0.02 0.00 0.00 55.97 57.75 1dua s LYS 143 Cb -0.40 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 1dua s LYS 143 CO 0.51 0.19 0.43 0.42 -0.92 0.00 0.00 175.35 175.98 1dua s ILE 144 N 0.16 5.15 0.00 2.17 -1.09 -1.26 -0.59 121.20 125.75 1dua s ILE 144 Ca 0.45 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.59 1dua s ILE 144 Cb -0.22 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1dua s ILE 144 CO 0.27 0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1dua n GLY 145 N 4.25 1.93 3.14 6.18 0.00 0.03 -4.83 105.19 115.89 1dua n GLY 145 Ca -0.07 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 1dua n GLY 145 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1dua s THR 146 N 4.91 0.11 -1.89 2.61 -1.32 -1.26 -4.89 115.64 113.90 1dua s THR 146 Ca 0.00 -0.90 0.23 0.00 -1.21 0.00 0.00 61.69 59.81 1dua s THR 146 Cb 0.00 -0.77 0.03 0.00 -1.51 0.00 0.00 72.50 70.25 1dua s THR 146 CO 0.00 -0.50 1.18 -1.54 -2.21 0.00 0.00 174.62 171.55 1dua n SER 147 N 0.93 1.73 -0.26 8.08 3.41 -0.58 -4.52 113.62 122.41 1dua n SER 147 Ca -0.20 -1.33 0.15 0.00 -0.26 0.00 0.00 58.87 57.22 1dua n SER 147 Cb 0.58 0.44 0.42 0.00 -0.26 0.00 0.00 64.21 65.39 1dua n SER 147 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1dua h ASN 148 N 1.97 0.57 -0.13 4.04 2.35 -1.94 -2.32 115.58 120.13 1dua h ASN 148 Ca 0.00 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1dua h ASN 148 Cb 0.68 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1dua h ASN 148 CO 0.00 0.26 0.00 -0.90 -1.65 0.00 0.00 177.43 175.14 1dua n ASP 149 N -4.56 2.01 -4.78 5.81 5.68 -1.26 -4.94 116.55 114.51 1dua n ASP 149 Ca 0.18 -1.71 -0.32 0.00 -0.50 0.00 0.00 54.79 52.44 1dua n ASP 149 Cb 0.56 -0.08 0.05 0.00 -1.14 0.00 0.00 41.12 40.51 1dua n ASP 149 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1dua s LEU 150 N -1.75 3.32 0.07 -2.12 1.43 -0.87 -5.05 118.68 113.70 1dua s LEU 150 Ca 0.34 1.92 -0.09 0.00 -1.03 0.00 0.00 54.13 55.27 1dua s LEU 150 Cb 0.20 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.88 1dua s LEU 150 CO 0.30 -1.63 0.20 -1.59 0.23 0.00 0.00 176.35 173.85 1dua s LYS 151 N -4.31 0.79 0.22 1.70 -2.85 -1.26 -5.09 119.74 108.93 1dua s LYS 151 Ca 0.65 -0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 54.50 1dua s LYS 151 Cb -0.19 0.32 -0.16 0.00 -2.06 0.00 0.00 37.83 35.75 1dua s LYS 151 CO 0.45 -0.24 0.91 -3.47 0.10 0.00 0.00 175.35 173.09 1dua n ASP 152 N 0.25 0.49 0.00 0.03 -0.08 -1.26 -0.96 116.55 115.02 1dua n ASP 152 Ca -0.17 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.27 1dua n ASP 152 Cb 0.61 -1.15 0.00 0.00 2.34 0.00 0.00 41.12 42.92 1dua n ASP 152 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1dua n GLY 153 N 1.67 2.81 3.72 0.27 0.00 -0.32 -4.97 105.19 108.38 1dua n GLY 153 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1dua n GLY 153 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dua n ASP 154 N 0.00 2.58 -4.56 1.61 8.00 -0.14 -4.54 116.55 119.51 1dua n ASP 154 Ca 0.00 1.02 -0.34 0.00 0.71 0.00 0.00 54.79 56.18 1dua n ASP 154 Cb 0.00 -1.54 -0.11 0.00 -0.02 0.00 0.00 41.12 39.44 1dua n ASP 154 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1dua s LYS 155 N -2.61 3.30 0.23 -1.24 -0.14 -1.26 0.33 119.74 118.36 1dua s LYS 155 Ca 0.67 -0.50 0.01 0.00 -1.36 0.00 0.00 55.97 54.79 1dua s LYS 155 Cb -0.45 -2.81 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 1dua s LYS 155 CO 0.53 0.44 0.15 -0.51 -0.76 0.00 0.00 175.35 175.20 1dua s LEU 156 N -0.19 1.31 -0.18 3.17 1.43 -0.41 -4.85 118.68 118.96 1dua s LEU 156 Ca 0.04 -1.45 -0.03 0.00 -1.03 0.00 0.00 54.13 51.65 1dua s LEU 156 Cb -0.13 0.35 -0.02 0.00 0.03 0.00 0.00 46.19 46.43 1dua s LEU 156 CO 0.02 -0.86 -0.05 -1.61 0.23 0.00 0.00 176.35 174.09 1dua s GLU 157 N -4.03 3.53 -0.20 1.70 0.41 -0.96 -0.87 118.70 118.28 1dua s GLU 157 Ca 0.39 -0.58 -0.05 0.00 -0.41 0.00 0.00 54.97 54.32 1dua s GLU 157 Cb 0.06 -2.93 -0.02 0.00 -1.78 0.00 0.00 34.13 29.46 1dua s GLU 157 CO 0.15 0.06 0.00 -1.17 -0.49 0.00 0.00 175.26 173.81 1dua s LEU 158 N 0.81 3.27 -0.10 1.80 0.20 -0.19 -0.55 118.68 123.92 1dua s LEU 158 Ca -0.01 -0.19 0.04 0.00 0.69 0.00 0.00 54.13 54.65 1dua s LEU 158 Cb -0.15 -1.83 -0.00 0.00 -0.43 0.00 0.00 46.19 43.78 1dua s LEU 158 CO 0.02 0.07 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.28 1dua s ILE 159 N 0.98 2.14 0.00 6.68 1.01 0.50 -0.34 121.20 132.17 1dua s ILE 159 Ca 0.02 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1dua s ILE 159 Cb -0.14 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1dua s ILE 159 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1dua n GLY 160 N 3.50 0.91 3.11 6.18 0.00 -0.89 -1.54 105.19 116.46 1dua n GLY 160 Ca -0.19 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 1dua n GLY 160 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dua s TYR 161 N -4.21 3.46 -1.05 1.61 2.02 -1.26 -1.52 117.35 116.40 1dua s TYR 161 Ca 0.00 -2.60 -0.17 0.00 -0.37 0.00 0.00 57.07 53.93 1dua s TYR 161 Cb 0.00 -3.24 -0.08 0.00 -0.40 0.00 0.00 41.96 38.24 1dua s TYR 161 CO 0.00 -0.88 2.09 -0.35 -1.57 0.00 0.00 175.55 174.84 1dua n PRO 162 N 3.79 2.10 -0.34 -1.71 -0.04 -1.26 -3.65 135.00 133.90 1dua n PRO 162 Ca 0.05 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 1dua n PRO 162 Cb 0.39 -2.99 0.05 0.00 -0.04 0.00 0.00 33.50 30.92 1dua n PRO 162 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1dua n PHE 163 N 6.52 0.08 0.19 0.54 -0.00 -1.25 -0.29 117.46 123.25 1dua n PHE 163 Ca 0.51 1.09 0.12 0.00 -0.00 0.00 0.00 57.45 59.17 1dua n PHE 163 Cb 0.36 -0.86 0.63 0.00 -0.00 0.00 0.00 39.48 39.62 1dua n PHE 163 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1dua h ASP 164 N 0.00 0.00 0.00 -2.13 5.19 -1.93 -3.02 116.42 114.52 1dua h ASP 164 Ca 0.33 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.65 1dua h ASP 164 Cb 0.55 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1dua h ASP 164 CO -0.89 0.00 -1.20 1.57 -3.12 0.00 0.00 179.24 175.60 1dua n HIS 165 N -2.33 0.20 -3.75 4.55 -0.00 0.60 -4.99 115.22 109.51 1dua n HIS 165 Ca -0.01 0.09 -0.14 0.00 -0.00 0.00 0.00 57.72 57.65 1dua n HIS 165 Cb 0.05 -0.66 -0.15 0.00 -0.00 0.00 0.00 29.99 29.23 1dua n HIS 165 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1dua s LYS 166 N -2.70 0.06 0.07 1.57 -0.14 -0.87 -5.14 119.74 112.59 1dua s LYS 166 Ca -0.28 0.34 -0.31 0.00 -1.36 0.00 0.00 55.97 54.36 1dua s LYS 166 Cb 0.06 -0.20 -0.06 0.00 -1.68 0.00 0.00 37.83 35.94 1dua s LYS 166 CO 0.41 -0.18 1.21 0.08 -0.76 0.00 0.00 175.35 176.11 1dua s VAL 167 N 1.22 3.97 -1.57 3.17 1.01 -1.24 -3.86 120.40 123.10 1dua s VAL 167 Ca -0.08 1.43 -0.14 0.00 0.00 0.00 0.00 61.98 63.18 1dua s VAL 167 Cb -0.12 -3.92 0.10 0.00 0.00 0.00 0.00 36.38 32.44 1dua s VAL 167 CO -0.05 0.12 0.92 0.59 0.00 0.00 0.00 175.10 176.68 1dua n ASN 168 N 3.81 -4.28 -3.96 3.32 3.02 -1.26 -4.44 115.26 111.46 1dua n ASN 168 Ca 0.09 -0.84 -0.30 0.00 -0.03 0.00 0.00 54.58 53.49 1dua n ASN 168 Cb 0.46 -3.61 -0.16 0.00 -0.61 0.00 0.00 39.78 35.87 1dua n ASN 168 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1dua s GLN 169 N -6.68 1.78 0.11 3.52 -0.21 -1.25 -1.39 119.66 115.55 1dua s GLN 169 Ca 0.65 -0.92 -0.31 0.00 0.02 0.00 0.00 55.36 54.80 1dua s GLN 169 Cb -0.34 -2.50 -0.09 0.00 1.00 0.00 0.00 33.01 31.09 1dua s GLN 169 CO 0.85 -0.52 1.53 1.41 -2.12 0.00 0.00 175.29 176.44 1dua s MET 170 N 1.40 4.24 0.12 2.91 -2.45 -1.26 -4.34 119.30 119.92 1dua s MET 170 Ca -0.04 2.25 0.08 0.00 -1.25 0.00 0.00 55.69 56.73 1dua s MET 170 Cb -0.18 -3.33 -0.04 0.00 1.25 0.00 0.00 34.83 32.54 1dua s MET 170 CO -0.07 -0.60 -0.18 -1.01 1.05 0.00 0.00 175.02 174.21 1dua s HIS 171 N 1.63 1.69 0.01 4.11 3.76 -0.58 0.06 115.29 125.97 1dua s HIS 171 Ca 0.69 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 55.17 1dua s HIS 171 Cb -0.40 -0.89 -0.04 0.00 1.11 0.00 0.00 32.58 32.37 1dua s HIS 171 CO 0.31 0.23 -0.04 -0.98 -0.85 0.00 0.00 174.74 173.40 1dua s ARG 172 N -2.32 2.61 -0.06 1.40 1.70 0.44 -2.11 118.95 120.61 1dua s ARG 172 Ca 0.09 -0.71 0.03 0.00 -0.47 0.00 0.00 55.73 54.67 1dua s ARG 172 Cb -0.08 -2.55 0.01 0.00 -0.57 0.00 0.00 34.95 31.76 1dua s ARG 172 CO 0.05 0.60 -0.14 -1.12 -1.08 0.00 0.00 175.30 173.61 1dua s SER 173 N -1.58 1.88 0.00 -2.89 0.01 0.53 -1.84 113.70 109.81 1dua s SER 173 Ca 0.19 -0.31 -0.28 0.00 1.31 0.00 0.00 55.95 56.86 1dua s SER 173 Cb -0.11 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.34 1dua s SER 173 CO 0.10 0.07 0.89 -0.70 0.41 0.00 0.00 173.24 174.01 1dua s GLU 174 N 0.43 4.54 0.15 12.44 2.12 -0.57 -1.03 118.70 136.79 1dua s GLU 174 Ca -0.11 1.26 0.11 0.00 0.36 0.00 0.00 54.97 56.59 1dua s GLU 174 Cb -0.14 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1dua s GLU 174 CO 0.03 0.05 -0.25 0.96 -0.54 0.00 0.00 175.26 175.52 1dua s ILE 175 N 0.70 2.36 -0.18 -3.70 -4.36 -0.05 -4.52 121.20 111.46 1dua s ILE 175 Ca 0.46 -1.84 0.01 0.00 -0.26 0.00 0.00 60.65 59.02 1dua s ILE 175 Cb -0.20 -2.09 0.03 0.00 1.25 0.00 0.00 42.46 41.45 1dua s ILE 175 CO 0.25 0.01 -0.16 -0.70 0.24 0.00 0.00 174.94 174.58 1dua s GLU 176 N -2.32 2.55 0.58 0.37 2.12 -0.07 -1.28 118.70 120.65 1dua s GLU 176 Ca 0.17 -0.79 -0.19 0.00 0.36 0.00 0.00 54.97 54.53 1dua s GLU 176 Cb -0.09 -2.42 -0.04 0.00 0.26 0.00 0.00 34.13 31.84 1dua s GLU 176 CO 0.08 -0.28 1.16 -0.51 -0.54 0.00 0.00 175.26 175.17 1dua s LEU 177 N 1.36 3.67 0.00 2.70 1.43 0.15 -0.97 118.68 127.02 1dua s LEU 177 Ca 0.03 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 1dua s LEU 177 Cb -0.14 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.49 1dua s LEU 177 CO -0.11 -1.44 0.00 1.07 0.23 0.00 0.00 176.35 176.10 1dua n THR 178 N -1.56 0.00 -0.17 5.49 5.66 -0.54 -1.17 114.28 121.99 1dua n THR 178 Ca 0.12 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.11 1dua n THR 178 Cb 0.50 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.27 1dua n THR 178 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1dua n THR 179 N 0.00 0.00 1.94 1.09 -2.24 -1.26 -4.58 114.28 109.23 1dua n THR 179 Ca 0.00 -0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 1dua n THR 179 Cb 0.00 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 68.88 1dua n THR 179 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1dua n LEU 180 N 0.66 0.00 0.16 3.22 4.77 -1.26 -3.27 117.00 121.28 1dua n LEU 180 Ca 0.05 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.05 1dua n LEU 180 Cb 0.04 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.39 1dua n LEU 180 CO 0.11 0.00 0.59 0.77 -1.33 0.00 0.00 177.39 177.53 1dua h SER 181 N 0.00 0.00 -0.94 -1.43 4.64 -2.01 -3.13 113.55 110.69 1dua h SER 181 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 1dua h SER 181 Cb 0.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.78 1dua h SER 181 CO 0.00 0.49 0.55 0.54 -0.87 0.00 0.00 176.83 177.54 1dua n ARG 182 N -3.68 2.76 0.00 4.77 1.74 -1.20 -5.05 116.66 116.00 1dua n ARG 182 Ca -0.01 -3.40 0.00 0.00 -0.77 0.00 0.00 57.85 53.67 1dua n ARG 182 Cb 0.56 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 1dua n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dua n GLY 183 N -0.92 -3.54 3.56 -0.13 0.00 -1.18 -4.79 105.19 98.19 1dua n GLY 183 Ca 0.59 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 1dua n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dua s LEU 184 N 0.00 3.31 0.01 0.99 2.96 -1.25 -4.32 118.68 120.38 1dua s LEU 184 Ca 0.00 0.15 0.07 0.00 -0.22 0.00 0.00 54.13 54.13 1dua s LEU 184 Cb 0.00 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 1dua s LEU 184 CO 0.00 -1.95 -0.21 -0.13 -1.32 0.00 0.00 176.35 172.74 1dua s ARG 185 N 6.05 2.09 0.09 1.98 0.52 -1.26 -0.71 118.95 127.71 1dua s ARG 185 Ca 0.53 -0.95 -0.25 0.00 -0.52 0.00 0.00 55.73 54.54 1dua s ARG 185 Cb -0.11 -2.14 0.07 0.00 0.52 0.00 0.00 34.95 33.29 1dua s ARG 185 CO 0.21 0.55 0.64 1.52 0.02 0.00 0.00 175.30 178.24 1dua s TYR 186 N -0.80 -0.56 0.09 -0.53 1.13 -0.86 -1.46 117.35 114.36 1dua s TYR 186 Ca 0.12 0.54 -0.16 0.00 -1.41 0.00 0.00 57.07 56.16 1dua s TYR 186 Cb -0.10 0.52 -0.07 0.00 -1.10 0.00 0.00 41.96 41.21 1dua s TYR 186 CO 0.02 -0.77 0.53 0.71 -2.51 0.00 0.00 175.55 173.54 1dua s TYR 187 N -3.02 3.70 0.00 -3.49 2.02 -0.15 -2.19 117.35 114.23 1dua s TYR 187 Ca -0.02 1.13 0.00 0.00 -0.37 0.00 0.00 57.07 57.81 1dua s TYR 187 Cb -0.01 -2.40 0.00 0.00 -0.40 0.00 0.00 41.96 39.15 1dua s TYR 187 CO -0.07 0.53 0.00 0.41 -1.57 0.00 0.00 175.55 174.85 1dua n GLY 188 N 1.32 2.42 3.66 0.71 0.00 -1.26 -0.89 105.19 111.15 1dua n GLY 188 Ca -0.09 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 1dua n GLY 188 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1dua s PHE 189 N -2.00 3.38 0.13 1.61 5.36 -1.26 -4.91 117.98 120.28 1dua s PHE 189 Ca 0.00 0.80 -0.13 0.00 -0.96 0.00 0.00 56.93 56.64 1dua s PHE 189 Cb 0.00 -2.69 0.02 0.00 -0.34 0.00 0.00 43.02 40.01 1dua s PHE 189 CO 0.00 -0.10 0.34 0.95 -1.46 0.00 0.00 175.22 174.95 1dua s THR 190 N 1.64 0.08 0.28 0.12 -4.23 -1.26 -4.86 115.64 107.42 1dua s THR 190 Ca 0.25 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.87 1dua s THR 190 Cb -0.15 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.25 1dua s THR 190 CO 0.10 -0.38 0.10 0.68 -0.54 0.00 0.00 174.62 174.58 1dua s VAL 191 N -3.86 0.62 0.37 2.29 -7.23 -1.26 -5.04 120.40 106.30 1dua s VAL 191 Ca 0.07 -2.00 0.18 0.00 -1.81 0.00 0.00 61.98 58.42 1dua s VAL 191 Cb 0.03 -2.63 0.38 0.00 0.56 0.00 0.00 36.38 34.71 1dua s VAL 191 CO -0.08 0.00 1.69 -0.65 -0.31 0.00 0.00 175.10 175.74 1dua h PRO 192 N 2.29 0.31 0.00 4.82 0.11 -1.97 -1.01 132.00 136.55 1dua h PRO 192 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1dua h PRO 192 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1dua h PRO 192 CO 0.61 0.20 0.00 0.78 -0.21 0.00 0.00 178.00 179.38 1dua h GLY 193 N 0.32 0.00 2.00 -0.55 0.00 -1.81 -1.94 103.07 101.09 1dua h GLY 193 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.04 1dua h GLY 193 CO -0.47 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.77 1dua n ASN 194 N -2.78 0.00 -4.66 0.19 4.13 -0.38 -3.12 115.26 108.63 1dua n ASN 194 Ca 0.01 0.50 -0.54 0.00 1.68 0.00 0.00 54.58 56.23 1dua n ASN 194 Cb 0.28 -0.50 -0.06 0.00 -1.54 0.00 0.00 39.78 37.95 1dua n ASN 194 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1dua n SER 195 N -1.50 2.27 0.00 6.41 7.64 -0.73 -0.28 113.62 127.42 1dua n SER 195 Ca 0.04 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1dua n SER 195 Cb 0.20 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1dua n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dua n GLY 196 N 3.58 0.76 3.77 0.23 0.00 -0.01 -1.61 105.19 111.92 1dua n GLY 196 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1dua n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dua s SER 197 N -2.20 6.52 0.29 1.61 0.01 0.61 -3.49 113.70 117.04 1dua s SER 197 Ca 0.00 2.22 -0.24 0.00 1.31 0.00 0.00 55.95 59.24 1dua s SER 197 Cb 0.00 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.54 1dua s SER 197 CO 0.00 -0.67 0.87 -0.83 0.41 0.00 0.00 173.24 173.02 1dua s GLY 198 N -1.35 2.74 -0.20 3.44 0.00 -0.59 -0.40 107.32 110.96 1dua s GLY 198 Ca 0.59 0.40 -0.01 0.00 0.00 0.00 0.00 44.72 45.70 1dua s GLY 198 CO 0.33 0.81 -0.15 -0.42 0.00 0.00 0.00 173.10 173.68 1dua s ILE 199 N -1.58 2.49 0.10 0.90 1.01 -0.62 -0.37 121.20 123.13 1dua s ILE 199 Ca 0.48 -0.82 0.09 0.00 0.00 0.00 0.00 60.65 60.40 1dua s ILE 199 Cb -0.18 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1dua s ILE 199 CO 0.23 0.49 -0.21 -0.36 0.00 0.00 0.00 174.94 175.08 1dua s PHE 200 N 1.35 2.46 0.49 3.97 0.40 0.28 -0.16 117.98 126.77 1dua s PHE 200 Ca 0.05 -0.31 0.06 0.00 -0.60 0.00 0.00 56.93 56.13 1dua s PHE 200 Cb -0.14 -1.34 0.03 0.00 0.51 0.00 0.00 43.02 42.08 1dua s PHE 200 CO -0.10 0.33 0.68 0.54 0.70 0.00 0.00 175.22 177.37 1dua s ASN 201 N -1.93 5.42 0.59 1.36 2.20 -0.52 -2.27 114.94 119.79 1dua s ASN 201 Ca 0.16 -0.32 0.29 0.00 -0.94 0.00 0.00 52.86 52.04 1dua s ASN 201 Cb -0.10 -0.61 1.45 0.00 -2.00 0.00 0.00 41.25 39.99 1dua s ASN 201 CO 0.07 -1.00 1.86 0.77 -2.94 0.00 0.00 177.10 175.87 1dua h SER 202 N 0.35 0.00 -0.03 3.54 4.64 -1.91 0.41 113.55 120.55 1dua h SER 202 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1dua h SER 202 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1dua h SER 202 CO 0.47 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.23 1dua n ASN 203 N -3.70 0.61 -0.21 4.97 2.85 -1.26 -4.89 115.26 113.63 1dua n ASN 203 Ca 0.10 -1.35 -0.03 0.00 -0.11 0.00 0.00 54.58 53.19 1dua n ASN 203 Cb 0.74 -0.02 -0.01 0.00 1.24 0.00 0.00 39.78 41.73 1dua n ASN 203 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1dua n GLY 204 N 1.00 0.59 3.88 8.20 0.00 0.14 -5.02 105.19 113.98 1dua n GLY 204 Ca 0.19 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 1dua n GLY 204 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dua s GLU 205 N -2.21 3.56 -0.24 1.61 2.02 -1.25 -4.53 118.70 117.66 1dua s GLU 205 Ca 0.00 -0.08 -0.29 0.00 0.02 0.00 0.00 54.97 54.62 1dua s GLU 205 Cb 0.00 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.11 1dua s GLU 205 CO 0.00 0.69 1.14 -1.17 0.02 0.00 0.00 175.26 175.94 1dua s LEU 206 N -1.54 4.05 0.00 1.80 2.96 0.24 -1.44 118.68 124.75 1dua s LEU 206 Ca 0.24 1.37 0.06 0.00 -0.22 0.00 0.00 54.13 55.58 1dua s LEU 206 Cb -0.13 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1dua s LEU 206 CO 0.13 -0.80 0.38 1.33 -1.32 0.00 0.00 176.35 176.08 1dua n VAL 207 N 5.58 0.00 -3.65 1.68 0.24 0.78 -0.79 118.33 122.16 1dua n VAL 207 Ca 0.13 -0.39 -0.01 0.00 -2.04 0.00 0.00 64.34 62.02 1dua n VAL 207 Cb 0.46 1.04 -0.01 0.00 -1.47 0.00 0.00 33.84 33.86 1dua n VAL 207 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1dua s GLY 208 N -1.31 -0.35 -0.07 7.63 0.00 -1.20 -1.03 107.32 110.99 1dua s GLY 208 Ca 0.04 0.63 0.02 0.00 0.00 0.00 0.00 44.72 45.41 1dua s GLY 208 CO 0.21 0.14 -0.13 -0.42 0.00 0.00 0.00 173.10 172.90 1dua s ILE 209 N -2.73 1.19 0.31 0.90 -1.09 -0.19 -1.59 121.20 118.00 1dua s ILE 209 Ca 0.13 -0.51 -0.29 0.00 -2.23 0.00 0.00 60.65 57.75 1dua s ILE 209 Cb 0.02 -1.09 -0.10 0.00 -1.58 0.00 0.00 42.46 39.71 1dua s ILE 209 CO -0.02 0.37 1.31 -2.28 -1.23 0.00 0.00 174.94 173.09 1dua s HIS 210 N 0.70 3.08 0.00 3.97 5.65 0.46 -0.74 115.29 128.41 1dua s HIS 210 Ca -0.14 1.37 -0.03 0.00 0.25 0.00 0.00 55.06 56.51 1dua s HIS 210 Cb -0.16 -3.68 -0.01 0.00 -1.18 0.00 0.00 32.58 27.56 1dua s HIS 210 CO 0.03 -1.90 -0.06 0.45 -0.65 0.00 0.00 174.74 172.61 1dua n SER 211 N 1.12 0.69 0.00 9.88 2.88 -0.33 -0.83 113.62 127.03 1dua n SER 211 Ca 0.01 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1dua n SER 211 Cb 0.42 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1dua n SER 211 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1dua n SER 212 N -3.15 0.00 -4.60 -3.46 3.41 -0.81 -4.57 113.62 100.44 1dua n SER 212 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.25 1dua n SER 212 Cb 0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 1dua n SER 212 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1dua s LYS 213 N 1.02 2.83 0.20 4.33 1.02 -1.26 0.11 119.74 127.99 1dua s LYS 213 Ca 0.00 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 55.51 1dua s LYS 213 Cb 0.00 -2.64 -0.05 0.00 -0.52 0.00 0.00 37.83 34.62 1dua s LYS 213 CO 0.00 0.66 -0.03 0.14 -0.92 0.00 0.00 175.35 175.20 1dua s VAL 214 N -0.78 1.02 0.63 3.17 -7.23 -0.39 -4.89 120.40 111.94 1dua s VAL 214 Ca 0.12 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 58.09 1dua s VAL 214 Cb -0.11 -2.17 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 1dua s VAL 214 CO 0.02 -0.47 1.16 -0.94 -0.31 0.00 0.00 175.10 174.56 1dua s SER 215 N -3.25 5.08 -0.13 4.85 1.04 -1.26 -1.96 113.70 118.07 1dua s SER 215 Ca 0.24 2.20 -0.09 0.00 0.48 0.00 0.00 55.95 58.78 1dua s SER 215 Cb 0.05 -2.58 0.05 0.00 0.10 0.00 0.00 66.02 63.64 1dua s SER 215 CO 0.06 -1.65 0.33 -2.28 0.98 0.00 0.00 173.24 170.67 1dua s HIS 216 N -1.97 -0.44 0.00 5.02 5.04 0.07 -4.75 115.29 118.26 1dua s HIS 216 Ca 0.72 1.00 0.00 0.00 -1.54 0.00 0.00 55.06 55.24 1dua s HIS 216 Cb -0.25 0.15 0.00 0.00 0.04 0.00 0.00 32.58 32.52 1dua s HIS 216 CO 0.37 -0.25 0.00 1.28 -2.34 0.00 0.00 174.74 173.80 1dua n LEU 217 N 3.82 0.00 0.00 8.88 4.77 -1.26 -4.25 117.00 128.96 1dua n LEU 217 Ca -0.21 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.58 1dua n LEU 217 Cb 0.55 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1dua n LEU 217 CO 0.12 0.00 -0.12 -0.90 -1.33 0.00 0.00 177.39 175.16 1dua n ASP 218 N 3.16 1.26 0.00 -1.43 5.68 -1.26 -4.71 116.55 119.25 1dua n ASP 218 Ca 0.00 -2.61 0.15 0.00 -0.50 0.00 0.00 54.79 51.83 1dua n ASP 218 Cb 0.00 0.74 0.88 0.00 -1.14 0.00 0.00 41.12 41.60 1dua n ASP 218 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1dua n ARG 219 N -0.69 0.89 0.00 0.11 5.12 -1.26 -3.61 116.66 117.22 1dua n ARG 219 Ca -0.05 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.93 1dua n ARG 219 Cb 0.45 -1.50 0.02 0.00 -1.16 0.00 0.00 32.46 30.28 1dua n ARG 219 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1dua n GLU 220 N -1.02 1.36 -4.55 5.56 1.02 -1.26 -4.95 120.64 116.78 1dua n GLU 220 Ca 0.22 -0.93 -0.26 0.00 -0.02 0.00 0.00 57.16 56.16 1dua n GLU 220 Cb 0.11 -1.18 -0.11 0.00 -0.02 0.00 0.00 31.44 30.25 1dua n GLU 220 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1dua s HIS 221 N -1.26 2.43 0.25 -0.32 3.76 -1.24 -5.04 115.29 113.87 1dua s HIS 221 Ca 0.12 -0.53 0.06 0.00 -0.15 0.00 0.00 55.06 54.56 1dua s HIS 221 Cb 0.10 -1.46 -0.05 0.00 1.11 0.00 0.00 32.58 32.27 1dua s HIS 221 CO 0.22 0.56 -0.06 -0.65 -0.85 0.00 0.00 174.74 173.96 1dua s GLN 222 N -3.63 1.44 0.07 1.40 -0.21 -1.26 -0.75 119.66 116.72 1dua s GLN 222 Ca 0.33 -1.71 -0.20 0.00 0.02 0.00 0.00 55.36 53.79 1dua s GLN 222 Cb 0.04 -0.98 0.05 0.00 1.00 0.00 0.00 33.01 33.11 1dua s GLN 222 CO 0.17 0.02 0.49 -1.50 -2.12 0.00 0.00 175.29 172.35 1dua s ILE 223 N -3.13 0.04 0.36 1.08 1.10 -0.83 -4.73 121.20 115.09 1dua s ILE 223 Ca 0.28 -0.32 -0.25 0.00 -0.51 0.00 0.00 60.65 59.84 1dua s ILE 223 Cb 0.04 -1.01 -0.09 0.00 0.15 0.00 0.00 42.46 41.54 1dua s ILE 223 CO 0.10 -0.18 1.01 0.20 -2.11 0.00 0.00 174.94 173.96 1dua s ASN 224 N -2.21 7.02 -0.04 4.50 0.01 -0.93 -1.26 114.94 122.03 1dua s ASN 224 Ca -0.03 1.97 0.05 0.00 -0.71 0.00 0.00 52.86 54.14 1dua s ASN 224 Cb -0.00 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 1dua s ASN 224 CO -0.05 -0.31 -0.19 -0.47 -1.51 0.00 0.00 177.10 174.57 1dua s TYR 225 N -1.62 1.85 0.26 2.20 5.04 0.30 -2.03 117.35 123.34 1dua s TYR 225 Ca 0.54 -0.47 0.01 0.00 -2.44 0.00 0.00 57.07 54.71 1dua s TYR 225 Cb -0.21 -1.22 -0.05 0.00 0.35 0.00 0.00 41.96 40.83 1dua s TYR 225 CO 0.27 -0.13 0.09 0.20 -1.34 0.00 0.00 175.55 174.64 1dua s GLY 226 N -0.16 1.72 -0.26 8.97 0.00 0.11 -1.19 107.32 116.50 1dua s GLY 226 Ca 0.00 -1.86 -0.05 0.00 0.00 0.00 0.00 44.72 42.81 1dua s GLY 226 CO 0.01 -1.60 0.02 0.14 0.00 0.00 0.00 173.10 171.67 1dua s VAL 227 N -3.72 3.63 0.39 1.40 1.01 0.08 -3.77 120.40 119.42 1dua s VAL 227 Ca 0.37 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 1dua s VAL 227 Cb 0.08 -2.78 -0.11 0.00 0.00 0.00 0.00 36.38 33.57 1dua s VAL 227 CO 0.13 0.24 0.95 -0.83 0.00 0.00 0.00 175.10 175.59 1dua s GLY 228 N 1.48 2.54 -1.13 4.51 0.00 -1.26 -1.02 107.32 112.43 1dua s GLY 228 Ca 0.04 0.45 -0.21 0.00 0.00 0.00 0.00 44.72 44.99 1dua s GLY 228 CO -0.00 0.78 1.55 -0.42 0.00 0.00 0.00 173.10 175.01 1dua s ILE 229 N -1.98 4.04 0.21 0.90 -1.09 -0.19 -4.85 121.20 118.24 1dua s ILE 229 Ca 0.58 -1.26 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 1dua s ILE 229 Cb -0.12 -5.10 0.04 0.00 -1.58 0.00 0.00 42.46 35.69 1dua s ILE 229 CO 0.17 -1.96 0.29 0.61 -1.23 0.00 0.00 174.94 172.82 1dua n GLY 230 N 6.23 0.78 0.27 6.18 0.00 -1.26 -1.53 105.19 115.86 1dua n GLY 230 Ca 0.39 -1.98 -0.07 0.00 0.00 0.00 0.00 46.02 44.35 1dua n GLY 230 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1dua h ASN 231 N -0.16 -0.74 -0.01 1.61 -0.26 -1.98 0.60 115.58 114.63 1dua h ASN 231 Ca -0.09 0.14 -0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1dua h ASN 231 Cb 0.35 0.36 -0.00 0.00 -1.06 0.00 0.00 38.32 37.98 1dua h ASN 231 CO 0.10 -0.26 0.01 0.22 -1.06 0.00 0.00 177.43 176.44 1dua h TYR 232 N -0.21 0.02 -0.43 1.19 3.20 -1.97 -2.44 116.97 116.33 1dua h TYR 232 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1dua h TYR 232 Cb 0.45 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1dua h TYR 232 CO -0.41 0.07 0.28 0.28 -1.64 0.00 0.00 178.16 176.74 1dua h VAL 233 N -0.04 1.12 -0.77 1.81 2.07 -1.81 -2.55 116.25 116.08 1dua h VAL 233 Ca 0.00 -0.24 0.12 0.00 0.82 0.00 0.00 66.70 67.41 1dua h VAL 233 Cb 0.06 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.25 1dua h VAL 233 CO -0.00 0.12 0.37 0.11 0.02 0.00 0.00 177.57 178.19 1dua h LYS 234 N 0.58 0.56 -0.25 1.57 1.57 -0.78 -1.55 116.57 118.26 1dua h LYS 234 Ca 0.16 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1dua h LYS 234 Cb -0.05 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1dua h LYS 234 CO -0.03 0.37 0.16 -0.09 -0.57 0.00 0.00 179.45 179.29 1dua h ARG 235 N 0.57 0.32 -0.20 3.15 2.43 -1.05 -0.80 114.38 118.81 1dua h ARG 235 Ca 0.40 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.48 1dua h ARG 235 Cb 0.53 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1dua h ARG 235 CO -0.33 0.21 -0.20 0.82 -1.51 0.00 0.00 179.97 178.96 1dua h ILE 236 N 0.33 1.23 -0.26 1.20 1.08 -1.03 -1.75 117.51 118.31 1dua h ILE 236 Ca 0.10 -1.06 -0.09 0.00 -0.39 0.00 0.00 64.86 63.42 1dua h ILE 236 Cb -0.03 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 1dua h ILE 236 CO -0.03 0.33 -0.18 0.40 -0.69 0.00 0.00 178.15 177.98 1dua h ILE 237 N 0.32 1.31 -0.71 -0.67 2.04 -0.91 -0.45 117.51 118.43 1dua h ILE 237 Ca 0.06 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 1dua h ILE 237 Cb 0.53 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1dua h ILE 237 CO 0.04 0.41 0.43 0.78 0.00 0.00 0.00 178.15 179.80 1dua h ASN 238 N 0.30 0.84 -0.18 1.72 2.35 -0.89 0.44 115.58 120.16 1dua h ASN 238 Ca 0.05 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 1dua h ASN 238 Cb 0.72 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 1dua h ASN 238 CO 0.05 0.65 -0.23 -0.08 -1.65 0.00 0.00 177.43 176.17 1dua h GLU 239 N 0.97 0.48 -0.02 0.81 4.81 -1.18 -3.36 114.58 117.10 1dua h GLU 239 Ca 0.26 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1dua h GLU 239 Cb -0.04 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1dua h GLU 239 CO -0.05 0.86 -0.11 1.63 -0.73 0.00 0.00 179.01 180.61 1dua n LYS 240 N -4.43 1.49 -2.02 1.92 5.02 -0.19 -5.02 118.16 114.92 1dua n LYS 240 Ca -0.06 -1.31 -0.36 0.00 -2.02 0.00 0.00 58.31 54.56 1dua n LYS 240 Cb 0.42 -1.32 0.03 0.00 -0.02 0.00 0.00 35.03 34.15 1dua n LYS 240 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1dua s ASN 241 N -1.59 5.33 0.00 4.39 2.47 0.15 -5.05 114.94 120.64 1dua s ASN 241 Ca 0.18 2.42 0.00 0.00 0.42 0.00 0.00 52.86 55.88 1dua s ASN 241 Cb 0.14 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1dua s ASN 241 CO 0.28 -1.50 0.00 -1.84 -3.72 0.00 0.00 177.10 170.32