#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fxt h ARG 3 N 0.00 0.61 -0.35 -1.46 2.43 -1.58 -2.79 114.38 111.25 1fxt h ARG 3 Ca 0.00 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1fxt h ARG 3 Cb 0.00 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1fxt h ARG 3 CO 0.00 0.47 0.22 0.00 -1.51 0.00 0.00 179.97 179.15 1fxt h ALA 4 N 1.62 0.44 -0.22 2.80 0.00 -1.87 -3.15 119.26 118.88 1fxt h ALA 4 Ca 0.16 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1fxt h ALA 4 Cb 0.06 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 1fxt h ALA 4 CO -0.02 -0.12 0.10 1.17 0.00 0.00 0.00 179.25 180.37 1fxt n LYS 5 N -4.87 1.65 0.05 0.00 0.00 -1.05 -4.21 118.16 109.74 1fxt n LYS 5 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 58.31 57.29 1fxt n LYS 5 Cb 0.04 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 33.50 1fxt n LYS 5 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1fxt n ARG 6 N 1.29 0.00 -0.28 1.64 0.00 -1.21 -4.86 116.66 113.24 1fxt n ARG 6 Ca 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 58.07 1fxt n ARG 6 Cb 0.62 0.00 0.09 0.00 0.00 0.00 0.00 32.46 33.17 1fxt n ARG 6 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1fxt h ILE 7 N 0.00 1.13 -0.07 5.15 1.08 -1.73 -2.96 117.51 120.12 1fxt h ILE 7 Ca 0.00 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 64.15 1fxt h ILE 7 Cb 0.00 0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 33.81 1fxt h ILE 7 CO 0.00 0.18 0.15 0.24 -0.69 0.00 0.00 178.15 178.03 1fxt h MET 8 N 0.98 0.00 -0.01 2.37 2.86 -1.86 -0.12 114.93 119.15 1fxt h MET 8 Ca 0.31 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1fxt h MET 8 Cb -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 1fxt h MET 8 CO -0.10 0.00 -0.01 0.87 1.06 0.00 0.00 176.91 178.73 1fxt h LYS 9 N 0.00 0.03 -0.72 1.72 1.57 -1.86 -2.86 116.57 114.45 1fxt h LYS 9 Ca 0.03 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1fxt h LYS 9 Cb 0.33 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 1fxt h LYS 9 CO -0.00 0.44 0.40 0.93 -0.57 0.00 0.00 179.45 180.66 1fxt h GLU 10 N -0.38 0.71 0.33 3.15 5.08 -1.41 -1.66 114.58 120.38 1fxt h GLU 10 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1fxt h GLU 10 Cb 0.44 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1fxt h GLU 10 CO 0.00 0.47 -0.24 0.82 -1.00 0.00 0.00 179.01 179.06 1fxt h ILE 11 N 0.73 0.50 -0.16 3.13 1.08 -1.16 -1.94 117.51 119.68 1fxt h ILE 11 Ca 0.33 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.79 1fxt h ILE 11 Cb 0.23 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1fxt h ILE 11 CO -0.20 0.00 0.08 -0.61 -0.69 0.00 0.00 178.15 176.73 1fxt h GLN 12 N -0.56 0.24 -0.44 2.37 5.75 -1.55 -1.76 115.11 119.16 1fxt h GLN 12 Ca -0.03 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.51 1fxt h GLN 12 Cb 0.48 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 1fxt h GLN 12 CO 0.01 0.27 0.30 0.00 -2.65 0.00 0.00 178.83 176.76 1fxt h ALA 13 N 0.95 2.01 -0.15 3.38 0.00 -1.36 -1.69 119.26 122.40 1fxt h ALA 13 Ca 0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1fxt h ALA 13 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1fxt h ALA 13 CO -0.01 -0.10 -0.44 0.28 0.00 0.00 0.00 179.25 178.99 1fxt h VAL 14 N 0.31 1.35 -0.54 0.00 2.07 -1.34 -3.30 116.25 114.80 1fxt h VAL 14 Ca 0.20 -1.72 0.10 0.00 0.82 0.00 0.00 66.70 66.10 1fxt h VAL 14 Cb 0.37 2.04 -0.08 0.00 -1.52 0.00 0.00 31.29 32.10 1fxt h VAL 14 CO -0.04 0.52 0.09 0.50 0.02 0.00 0.00 177.57 178.66 1fxt h LYS 15 N 0.19 0.21 0.00 1.57 3.64 -0.95 -3.06 116.57 118.17 1fxt h LYS 15 Ca -0.01 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1fxt h LYS 15 Cb 1.06 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1fxt h LYS 15 CO 0.09 0.14 -0.15 -0.44 -2.27 0.00 0.00 179.45 176.83 1fxt h ASP 16 N 0.22 0.00 -4.05 4.20 3.32 -1.48 -3.42 116.42 115.21 1fxt h ASP 16 Ca 0.28 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.70 1fxt h ASP 16 Cb 0.40 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.54 1fxt h ASP 16 CO -0.38 0.15 -0.65 -0.62 -1.72 0.00 0.00 179.24 176.02 1fxt s ASP 17 N -6.21 4.21 0.53 6.45 -1.08 -1.16 -4.97 116.67 114.45 1fxt s ASP 17 Ca -0.02 -3.04 0.22 0.00 -0.52 0.00 0.00 52.55 49.19 1fxt s ASP 17 Cb 0.13 -1.51 1.44 0.00 -1.46 0.00 0.00 42.92 41.52 1fxt s ASP 17 CO 0.60 -0.22 2.15 -0.65 0.52 0.00 0.00 175.17 177.57 1fxt h PRO 18 N 6.40 0.00 -0.26 4.34 0.11 -1.82 -3.27 132.00 137.50 1fxt h PRO 18 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1fxt h PRO 18 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1fxt h PRO 18 CO 0.65 0.05 0.17 0.00 -0.21 0.00 0.00 178.00 178.66 1fxt h ALA 19 N 1.95 1.81 0.00 -0.75 0.00 -1.96 -2.70 119.26 117.62 1fxt h ALA 19 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fxt h ALA 19 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fxt h ALA 19 CO 0.01 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1fxt n ALA 20 N -2.50 1.17 -1.00 0.00 0.00 -1.23 -4.95 120.51 111.99 1fxt n ALA 20 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fxt n ALA 20 Cb 0.07 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1fxt n ALA 20 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fxt n HIS 21 N -1.49 0.00 -4.30 0.00 8.25 -1.02 -4.91 115.22 111.76 1fxt n HIS 21 Ca 0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 1fxt n HIS 21 Cb 0.04 -0.84 -0.09 0.00 1.12 0.00 0.00 29.99 30.22 1fxt n HIS 21 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1fxt s ILE 22 N -1.60 4.43 -0.19 1.59 -1.09 -1.26 -3.00 121.20 120.09 1fxt s ILE 22 Ca 0.00 -0.19 -0.06 0.00 -2.23 0.00 0.00 60.65 58.16 1fxt s ILE 22 Cb 0.00 -2.89 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 1fxt s ILE 22 CO 0.00 0.58 0.03 0.42 -1.23 0.00 0.00 174.94 174.75 1fxt s THR 23 N -0.67 4.39 -1.11 2.92 -4.23 -0.54 -4.92 115.64 111.48 1fxt s THR 23 Ca 0.11 -0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 60.36 1fxt s THR 23 Cb -0.12 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 71.02 1fxt s THR 23 CO 0.02 0.44 1.11 0.18 -0.54 0.00 0.00 174.62 175.84 1fxt n LEU 24 N 3.87 5.50 -4.58 4.79 4.77 -1.26 -1.22 117.00 128.86 1fxt n LEU 24 Ca -0.17 -5.04 -0.38 0.00 -0.03 0.00 0.00 56.01 50.39 1fxt n LEU 24 Cb 0.52 -1.47 -0.11 0.00 -2.33 0.00 0.00 43.42 40.04 1fxt n LEU 24 CO 0.33 1.36 -0.16 -1.83 -1.33 0.00 0.00 177.39 175.77 1fxt s GLU 25 N -1.32 3.90 0.45 3.23 -1.05 -0.89 -4.92 118.70 118.10 1fxt s GLU 25 Ca 0.31 -0.35 -0.24 0.00 -0.15 0.00 0.00 54.97 54.54 1fxt s GLU 25 Cb -0.10 -3.68 -0.08 0.00 -0.44 0.00 0.00 34.13 29.84 1fxt s GLU 25 CO -0.08 -0.21 1.23 -0.06 0.95 0.00 0.00 175.26 177.09 1fxt s PHE 26 N 1.76 2.81 0.09 4.83 0.08 -1.26 -0.89 117.98 125.41 1fxt s PHE 26 Ca 0.07 1.48 -0.03 0.00 0.12 0.00 0.00 56.93 58.57 1fxt s PHE 26 Cb -0.16 -3.52 -0.23 0.00 -0.57 0.00 0.00 43.02 38.53 1fxt s PHE 26 CO 0.11 -1.84 1.19 0.28 -0.10 0.00 0.00 175.22 174.86 1fxt h VAL 27 N 2.06 1.50 0.00 -0.44 2.07 -1.61 -3.43 116.25 116.40 1fxt h VAL 27 Ca -0.49 -2.97 0.00 0.00 0.82 0.00 0.00 66.70 64.05 1fxt h VAL 27 Cb 1.25 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.86 1fxt h VAL 27 CO 0.61 0.87 0.00 -1.54 0.02 0.00 0.00 177.57 177.53 1fxt n SER 28 N -3.56 0.00 0.00 0.57 3.41 -1.26 -5.09 113.62 107.68 1fxt n SER 28 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1fxt n SER 28 Cb 0.98 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 1fxt n SER 28 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fxt n GLU 29 N 0.00 0.00 -3.12 4.33 1.02 -1.26 -5.04 120.64 116.56 1fxt n GLU 29 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 1fxt n GLU 29 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1fxt n GLU 29 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1fxt n SER 30 N -1.98 -1.13 -0.60 1.62 2.88 -1.26 -4.65 113.62 108.51 1fxt n SER 30 Ca 0.00 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.83 1fxt n SER 30 Cb 0.00 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1fxt n SER 30 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1fxt n ASP 31 N 2.20 0.00 -0.75 -3.46 5.68 -1.26 -5.07 116.55 113.89 1fxt n ASP 31 Ca 0.22 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.54 1fxt n ASP 31 Cb 0.53 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.56 1fxt n ASP 31 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1fxt n ILE 32 N 0.00 0.53 0.19 2.12 -6.64 -1.26 -4.96 119.36 109.34 1fxt n ILE 32 Ca 0.00 -1.01 0.00 0.00 -1.77 0.00 0.00 62.75 59.97 1fxt n ILE 32 Cb 0.00 0.46 0.00 0.00 -1.44 0.00 0.00 39.64 38.66 1fxt n ILE 32 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1fxt n HIS 33 N -0.19 -4.23 -3.10 4.28 1.44 -1.26 -4.63 115.22 107.53 1fxt n HIS 33 Ca 0.06 1.28 -0.44 0.00 -2.01 0.00 0.00 57.72 56.61 1fxt n HIS 33 Cb 0.83 3.26 -0.06 0.00 0.12 0.00 0.00 29.99 34.13 1fxt n HIS 33 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1fxt s HIS 34 N -2.00 3.00 -0.02 -1.40 2.46 -1.26 -4.27 115.29 111.80 1fxt s HIS 34 Ca 0.00 -0.49 0.05 0.00 0.47 0.00 0.00 55.06 55.09 1fxt s HIS 34 Cb 0.00 -3.66 -0.01 0.00 -0.13 0.00 0.00 32.58 28.78 1fxt s HIS 34 CO 0.00 -1.10 -0.17 -0.51 -2.47 0.00 0.00 174.74 170.48 1fxt s LEU 35 N 2.85 1.99 -0.79 8.88 1.43 -1.00 -1.49 118.68 130.56 1fxt s LEU 35 Ca 0.17 -0.32 -0.26 0.00 -1.03 0.00 0.00 54.13 52.69 1fxt s LEU 35 Cb -0.18 -0.91 0.04 0.00 0.03 0.00 0.00 46.19 45.16 1fxt s LEU 35 CO 0.13 0.19 1.27 -0.54 0.23 0.00 0.00 176.35 177.63 1fxt s LYS 36 N -0.25 3.26 -0.55 1.70 -0.14 -0.07 -1.24 119.74 122.45 1fxt s LYS 36 Ca 0.03 -0.50 -0.25 0.00 -1.36 0.00 0.00 55.97 53.90 1fxt s LYS 36 Cb -0.08 -4.42 0.04 0.00 -1.68 0.00 0.00 37.83 31.69 1fxt s LYS 36 CO 0.00 -2.12 0.97 0.20 -0.76 0.00 0.00 175.35 173.64 1fxt s GLY 37 N 3.96 1.38 -0.19 -3.33 0.00 -0.14 -2.09 107.32 106.91 1fxt s GLY 37 Ca 0.36 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.90 1fxt s GLY 37 CO 0.09 2.09 -0.18 -0.51 0.00 0.00 0.00 173.10 174.60 1fxt s THR 38 N 4.04 2.16 0.26 0.90 -4.23 -0.36 -2.58 115.64 115.83 1fxt s THR 38 Ca 0.32 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 59.90 1fxt s THR 38 Cb -0.12 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 1fxt s THR 38 CO 0.20 0.47 0.34 0.72 -0.54 0.00 0.00 174.62 175.81 1fxt s PHE 39 N 1.28 3.31 0.10 3.99 -0.12 -1.14 -1.47 117.98 123.93 1fxt s PHE 39 Ca 0.04 -0.08 -0.20 0.00 -0.05 0.00 0.00 56.93 56.63 1fxt s PHE 39 Cb -0.14 -1.60 -0.07 0.00 -0.63 0.00 0.00 43.02 40.58 1fxt s PHE 39 CO -0.12 0.38 0.62 -0.51 -0.05 0.00 0.00 175.22 175.55 1fxt s LEU 40 N -3.98 4.53 0.08 -1.99 1.43 -1.16 -1.17 118.68 116.42 1fxt s LEU 40 Ca 0.36 1.34 -0.34 0.00 -1.03 0.00 0.00 54.13 54.46 1fxt s LEU 40 Cb -0.09 -3.03 -0.13 0.00 0.03 0.00 0.00 46.19 42.97 1fxt s LEU 40 CO 0.28 0.24 1.69 0.61 0.23 0.00 0.00 176.35 179.40 1fxt n GLY 41 N 1.60 1.26 3.62 -3.19 0.00 -0.46 -4.88 105.19 103.14 1fxt n GLY 41 Ca -0.09 0.72 -0.45 0.00 0.00 0.00 0.00 46.02 46.20 1fxt n GLY 41 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fxt n PRO 42 N 4.55 2.14 -2.11 1.61 -0.02 -1.11 -2.42 135.00 137.63 1fxt n PRO 42 Ca 0.19 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 62.06 1fxt n PRO 42 Cb 0.30 -2.91 -0.01 0.00 -0.02 0.00 0.00 33.50 30.86 1fxt n PRO 42 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1fxt s PRO 43 N 5.22 3.62 -0.84 0.52 0.04 -1.26 -2.68 135.00 139.62 1fxt s PRO 43 Ca 0.97 0.96 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 1fxt s PRO 43 Cb -0.53 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1fxt s PRO 43 CO 0.44 -0.55 0.70 0.41 0.04 0.00 0.00 177.00 178.04 1fxt n GLY 44 N -1.76 -0.11 3.61 0.56 0.00 -1.26 -4.96 105.19 101.28 1fxt n GLY 44 Ca 0.07 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 1fxt n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fxt s THR 45 N -3.25 0.00 -0.31 2.61 2.01 -1.26 -5.05 115.64 110.39 1fxt s THR 45 Ca 0.04 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1fxt s THR 45 Cb -0.02 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.50 1fxt s THR 45 CO 0.50 0.00 0.71 -2.65 -0.69 0.00 0.00 174.62 172.50 1fxt n PRO 46 N 0.72 0.01 -0.42 4.92 -0.02 -1.26 -2.26 135.00 136.68 1fxt n PRO 46 Ca -0.06 0.21 0.08 0.00 -2.02 0.00 0.00 63.50 61.71 1fxt n PRO 46 Cb 0.58 -1.86 0.26 0.00 -0.02 0.00 0.00 33.50 32.47 1fxt n PRO 46 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1fxt n TYR 47 N -1.25 0.99 -1.78 6.00 4.01 -1.26 -3.55 117.16 120.32 1fxt n TYR 47 Ca -0.00 -0.67 -0.41 0.00 -0.16 0.00 0.00 57.90 56.66 1fxt n TYR 47 Cb 0.34 -0.21 0.01 0.00 -0.31 0.00 0.00 39.34 39.17 1fxt n TYR 47 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1fxt s GLU 48 N -1.96 3.92 -0.47 -0.72 2.12 -0.96 -2.77 118.70 117.87 1fxt s GLU 48 Ca 0.39 2.54 -0.15 0.00 0.36 0.00 0.00 54.97 58.10 1fxt s GLU 48 Cb 0.27 -2.84 0.02 0.00 0.26 0.00 0.00 34.13 31.84 1fxt s GLU 48 CO 0.16 -0.67 0.62 0.41 -0.54 0.00 0.00 175.26 175.23 1fxt n GLY 49 N 0.49 -1.22 0.00 -1.50 0.00 -1.02 -4.82 105.19 97.12 1fxt n GLY 49 Ca 0.03 1.16 0.00 0.00 0.00 0.00 0.00 46.02 47.21 1fxt n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fxt n GLY 50 N -0.49 1.06 3.52 -0.02 0.00 -1.26 -4.83 105.19 103.17 1fxt n GLY 50 Ca 0.09 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1fxt n GLY 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fxt s LYS 51 N -2.00 3.32 -0.74 1.61 2.20 -1.05 -1.36 119.74 121.71 1fxt s LYS 51 Ca 0.00 -0.31 -0.20 0.00 -0.36 0.00 0.00 55.97 55.10 1fxt s LYS 51 Cb 0.00 -4.05 0.11 0.00 -1.51 0.00 0.00 37.83 32.37 1fxt s LYS 51 CO 0.00 -1.46 0.94 -0.06 -0.36 0.00 0.00 175.35 174.42 1fxt s PHE 52 N 3.82 2.96 -0.23 4.03 0.40 -0.32 -4.39 117.98 124.26 1fxt s PHE 52 Ca 0.29 -1.02 -0.22 0.00 -0.60 0.00 0.00 56.93 55.38 1fxt s PHE 52 Cb -0.13 -4.19 -0.01 0.00 0.51 0.00 0.00 43.02 39.19 1fxt s PHE 52 CO 0.19 -1.47 0.71 0.08 0.70 0.00 0.00 175.22 175.43 1fxt s VAL 53 N 3.04 4.93 -0.20 -0.44 1.01 -1.26 -2.91 120.40 124.58 1fxt s VAL 53 Ca 0.23 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.55 1fxt s VAL 53 Cb -0.14 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.25 1fxt s VAL 53 CO 0.01 0.01 -0.18 -0.69 0.00 0.00 0.00 175.10 174.26 1fxt s VAL 54 N 2.49 2.10 0.15 2.92 1.01 -1.06 -2.16 120.40 125.85 1fxt s VAL 54 Ca 0.30 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 1fxt s VAL 54 Cb -0.16 -1.97 -0.07 0.00 0.00 0.00 0.00 36.38 34.18 1fxt s VAL 54 CO 0.09 0.40 1.19 -0.62 0.00 0.00 0.00 175.10 176.16 1fxt s ASP 55 N 1.25 7.10 -0.17 3.32 2.15 -0.58 -0.97 116.67 128.77 1fxt s ASP 55 Ca 0.02 2.16 -0.03 0.00 0.43 0.00 0.00 52.55 55.12 1fxt s ASP 55 Cb -0.15 -2.60 0.05 0.00 -0.30 0.00 0.00 42.92 39.93 1fxt s ASP 55 CO -0.11 -0.38 0.05 -0.63 -0.17 0.00 0.00 175.17 173.92 1fxt s ILE 56 N 0.25 0.32 -0.52 4.11 1.01 -0.38 -1.57 121.20 124.43 1fxt s ILE 56 Ca 0.54 -0.33 -0.21 0.00 0.00 0.00 0.00 60.65 60.65 1fxt s ILE 56 Cb -0.31 -0.82 0.05 0.00 0.01 0.00 0.00 42.46 41.39 1fxt s ILE 56 CO 0.34 -0.15 0.75 -0.70 0.00 0.00 0.00 174.94 175.17 1fxt s GLU 57 N 1.96 3.21 -0.88 2.79 2.56 -1.24 -2.38 118.70 124.72 1fxt s GLU 57 Ca 0.01 -0.62 -0.25 0.00 0.00 0.00 0.00 54.97 54.11 1fxt s GLU 57 Cb -0.16 -4.07 0.04 0.00 2.00 0.00 0.00 34.13 31.93 1fxt s GLU 57 CO -0.08 -1.31 1.41 0.14 -0.56 0.00 0.00 175.26 174.87 1fxt s VAL 58 N 3.14 3.80 1.02 3.70 -7.23 -1.26 -1.06 120.40 122.51 1fxt s VAL 58 Ca 0.21 -0.21 -0.11 0.00 -1.81 0.00 0.00 61.98 60.07 1fxt s VAL 58 Cb -0.16 -4.92 0.20 0.00 0.56 0.00 0.00 36.38 32.06 1fxt s VAL 58 CO 0.15 -1.83 1.10 -2.84 -0.31 0.00 0.00 175.10 171.37 1fxt s PRO 59 N 5.46 0.21 0.25 4.82 0.02 -1.26 -4.68 135.00 139.82 1fxt s PRO 59 Ca 0.43 1.26 0.03 0.00 0.02 0.00 0.00 61.00 62.74 1fxt s PRO 59 Cb -0.04 -1.65 0.65 0.00 0.02 0.00 0.00 34.50 33.47 1fxt s PRO 59 CO 0.02 -3.09 1.25 -1.33 -0.33 0.00 0.00 177.00 173.52 1fxt n MET 60 N -4.52 -0.06 0.00 5.54 2.81 -1.26 -1.44 117.12 118.18 1fxt n MET 60 Ca 0.08 1.19 0.00 0.00 -1.81 0.00 0.00 57.70 57.16 1fxt n MET 60 Cb 0.53 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1fxt n MET 60 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1fxt n GLU 61 N -5.10 0.98 -1.78 0.03 4.71 -1.26 -4.38 120.64 113.83 1fxt n GLU 61 Ca 0.20 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.93 1fxt n GLU 61 Cb 0.65 -1.45 -0.03 0.00 -1.01 0.00 0.00 31.44 29.60 1fxt n GLU 61 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 1fxt s TYR 62 N -1.08 1.51 -0.48 -0.32 5.04 -0.52 -1.23 117.35 120.27 1fxt s TYR 62 Ca 0.00 -0.19 0.26 0.00 -2.44 0.00 0.00 57.07 54.70 1fxt s TYR 62 Cb 0.00 -4.12 0.87 0.00 0.35 0.00 0.00 41.96 39.06 1fxt s TYR 62 CO 0.00 -4.91 1.76 -1.00 -1.34 0.00 0.00 175.55 170.06 1fxt h PRO 63 N 10.49 0.00 0.00 4.97 0.13 -1.86 -2.10 132.00 143.63 1fxt h PRO 63 Ca -0.46 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 1fxt h PRO 63 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1fxt h PRO 63 CO 0.95 0.00 -0.51 0.74 -0.23 0.00 0.00 178.00 178.95 1fxt h PHE 64 N 0.00 0.00 -3.14 1.56 0.04 -1.42 -3.40 116.94 110.58 1fxt h PHE 64 Ca 0.00 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.18 1fxt h PHE 64 Cb 0.63 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.72 1fxt h PHE 64 CO 0.00 0.51 -0.14 0.15 -0.60 0.00 0.00 178.31 178.22 1fxt s LYS 65 N -3.10 4.09 0.48 1.51 -0.14 -1.25 -4.78 119.74 116.56 1fxt s LYS 65 Ca 0.03 0.51 -0.21 0.00 -1.36 0.00 0.00 55.97 54.94 1fxt s LYS 65 Cb 0.09 -3.27 -0.08 0.00 -1.68 0.00 0.00 37.83 32.88 1fxt s LYS 65 CO 0.73 0.56 1.06 -1.25 -0.76 0.00 0.00 175.35 175.69 1fxt s PRO 66 N -0.71 3.77 0.26 -1.68 0.04 -1.26 -4.47 135.00 130.94 1fxt s PRO 66 Ca 0.26 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 1fxt s PRO 66 Cb -0.17 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 1fxt s PRO 66 CO 0.14 -0.47 1.43 -1.25 0.04 0.00 0.00 177.00 176.89 1fxt s PRO 67 N -3.15 4.27 -1.14 0.56 0.04 -1.25 -4.31 135.00 130.02 1fxt s PRO 67 Ca 0.67 2.30 -0.21 0.00 0.04 0.00 0.00 61.00 63.79 1fxt s PRO 67 Cb -0.18 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.28 1fxt s PRO 67 CO 0.22 -0.40 1.68 0.21 0.04 0.00 0.00 177.00 178.75 1fxt s LYS 68 N -0.51 3.49 -0.58 4.56 2.20 -0.22 -4.67 119.74 124.00 1fxt s LYS 68 Ca 0.58 -1.37 -0.23 0.00 -0.36 0.00 0.00 55.97 54.59 1fxt s LYS 68 Cb -0.42 -5.38 0.05 0.00 -1.51 0.00 0.00 37.83 30.57 1fxt s LYS 68 CO 0.44 -2.59 0.93 -1.64 -0.36 0.00 0.00 175.35 172.14 1fxt s MET 69 N 5.11 3.25 -0.27 4.03 -1.94 -1.26 -3.69 119.30 124.54 1fxt s MET 69 Ca 0.55 -0.46 0.02 0.00 -1.71 0.00 0.00 55.69 54.08 1fxt s MET 69 Cb 0.01 -4.11 0.07 0.00 2.01 0.00 0.00 34.83 32.81 1fxt s MET 69 CO 0.01 -1.57 -0.03 1.14 -0.01 0.00 0.00 175.02 174.56 1fxt s GLN 70 N 3.92 1.64 -0.02 2.03 -2.07 -0.61 -3.99 119.66 120.56 1fxt s GLN 70 Ca 0.27 -1.25 -0.30 0.00 -1.82 0.00 0.00 55.36 52.26 1fxt s GLN 70 Cb -0.14 -2.72 -0.06 0.00 -1.09 0.00 0.00 33.01 29.00 1fxt s GLN 70 CO 0.16 -0.70 1.60 -0.06 -1.32 0.00 0.00 175.29 174.97 1fxt s PHE 71 N 1.25 2.25 0.01 9.60 0.08 -0.03 -1.53 117.98 129.61 1fxt s PHE 71 Ca -0.02 0.35 -0.25 0.00 0.12 0.00 0.00 56.93 57.13 1fxt s PHE 71 Cb -0.19 -3.87 -0.15 0.00 -0.57 0.00 0.00 43.02 38.23 1fxt s PHE 71 CO -0.08 -3.56 1.14 -0.44 -0.10 0.00 0.00 175.22 172.18 1fxt h ASP 72 N 8.92 -0.53 -2.04 1.36 5.19 -1.78 -3.39 116.42 124.15 1fxt h ASP 72 Ca -0.39 -0.09 -0.58 0.00 -0.62 0.00 0.00 57.03 55.34 1fxt h ASP 72 Cb 1.18 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1fxt h ASP 72 CO 0.94 -0.15 1.47 -0.89 -3.12 0.00 0.00 179.24 177.48 1fxt s THR 73 N -4.57 3.02 -0.01 0.35 2.01 -1.21 -4.98 115.64 110.24 1fxt s THR 73 Ca -0.14 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 1fxt s THR 73 Cb 0.02 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 1fxt s THR 73 CO 0.48 -0.02 1.03 -0.54 -0.69 0.00 0.00 174.62 174.89 1fxt s LYS 74 N 6.19 4.50 -0.11 4.92 3.01 -1.26 -4.81 119.74 132.18 1fxt s LYS 74 Ca 0.99 1.49 0.01 0.00 -1.01 0.00 0.00 55.97 57.45 1fxt s LYS 74 Cb -0.33 -3.46 0.02 0.00 -1.01 0.00 0.00 37.83 33.04 1fxt s LYS 74 CO 0.36 -0.15 -0.14 0.08 0.51 0.00 0.00 175.35 176.00 1fxt s VAL 75 N 1.25 1.47 -1.09 3.17 1.01 -1.25 -4.75 120.40 120.21 1fxt s VAL 75 Ca 0.53 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 1fxt s VAL 75 Cb -0.22 -1.36 0.10 0.00 0.00 0.00 0.00 36.38 34.90 1fxt s VAL 75 CO 0.26 0.44 1.42 -0.47 0.00 0.00 0.00 175.10 176.75 1fxt s TYR 76 N 1.11 2.91 -0.08 5.22 5.04 -1.26 -2.83 117.35 127.45 1fxt s TYR 76 Ca -0.04 -1.37 -0.07 0.00 -2.44 0.00 0.00 57.07 53.15 1fxt s TYR 76 Cb -0.14 -4.53 0.02 0.00 0.35 0.00 0.00 41.96 37.65 1fxt s TYR 76 CO -0.03 -1.70 0.21 -1.58 -1.34 0.00 0.00 175.55 171.10 1fxt s HIS 77 N 3.63 -0.23 0.33 4.97 2.46 -1.24 -4.70 115.29 120.51 1fxt s HIS 77 Ca 0.43 0.56 0.09 0.00 0.47 0.00 0.00 55.06 56.62 1fxt s HIS 77 Cb -0.01 0.07 0.85 0.00 -0.13 0.00 0.00 32.58 33.36 1fxt s HIS 77 CO -0.04 -0.12 1.78 -1.35 -2.47 0.00 0.00 174.74 172.54 1fxt h PRO 78 N 5.97 0.63 0.00 2.88 0.11 -1.88 -2.96 132.00 136.75 1fxt h PRO 78 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1fxt h PRO 78 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1fxt h PRO 78 CO 0.38 0.42 -0.63 0.09 -0.21 0.00 0.00 178.00 178.06 1fxt n ASN 79 N -4.73 0.58 -3.96 -2.05 4.13 -1.26 -1.43 115.26 106.55 1fxt n ASN 79 Ca 0.23 -0.14 -0.21 0.00 1.68 0.00 0.00 54.58 56.14 1fxt n ASN 79 Cb 0.64 0.31 -0.16 0.00 -1.54 0.00 0.00 39.78 39.04 1fxt n ASN 79 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1fxt s ILE 80 N -3.08 0.77 -0.00 2.41 1.01 -1.12 -1.11 121.20 120.08 1fxt s ILE 80 Ca 0.08 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 1fxt s ILE 80 Cb 0.16 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 1fxt s ILE 80 CO 0.72 0.27 1.39 -0.55 0.00 0.00 0.00 174.94 176.77 1fxt s SER 81 N 0.68 6.86 0.16 3.58 0.15 -0.39 -3.73 113.70 121.01 1fxt s SER 81 Ca -0.11 2.10 -0.10 0.00 0.70 0.00 0.00 55.95 58.53 1fxt s SER 81 Cb -0.14 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.63 1fxt s SER 81 CO 0.01 -0.71 1.57 0.77 1.20 0.00 0.00 173.24 176.09 1fxt h SER 82 N 7.79 1.00 0.00 5.45 4.64 -1.81 -3.31 113.55 127.31 1fxt h SER 82 Ca -0.38 -0.37 -0.09 0.00 -0.47 0.00 0.00 61.79 60.49 1fxt h SER 82 Cb 1.18 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1fxt h SER 82 CO 0.90 1.13 -1.00 0.52 -0.87 0.00 0.00 176.83 177.52 1fxt n VAL 83 N -4.17 1.47 -0.06 0.95 0.31 -1.26 -4.65 118.33 110.92 1fxt n VAL 83 Ca 0.01 0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.33 1fxt n VAL 83 Cb 0.41 -2.26 -0.09 0.00 -0.91 0.00 0.00 33.84 30.99 1fxt n VAL 83 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1fxt h THR 84 N -1.00 1.25 0.00 2.52 1.35 -1.96 -3.50 112.91 111.57 1fxt h THR 84 Ca -0.14 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 1fxt h THR 84 Cb 0.90 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1fxt h THR 84 CO -0.08 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 1fxt n GLY 85 N 1.66 3.47 3.44 5.82 0.00 -1.26 -4.83 105.19 113.49 1fxt n GLY 85 Ca -0.07 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 1fxt n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fxt n ALA 86 N 0.00 -2.90 -2.81 4.61 0.00 -1.26 -0.85 120.51 117.30 1fxt n ALA 86 Ca 0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 53.44 52.26 1fxt n ALA 86 Cb 0.00 -1.87 -0.13 0.00 0.00 0.00 0.00 19.45 17.45 1fxt n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fxt s ILE 87 N -2.39 0.38 -0.42 0.00 1.01 -1.26 -1.26 121.20 117.26 1fxt s ILE 87 Ca 0.63 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.72 1fxt s ILE 87 Cb -0.21 -0.37 0.07 0.00 0.01 0.00 0.00 42.46 41.96 1fxt s ILE 87 CO 0.65 -0.06 0.27 0.00 0.00 0.00 0.00 174.94 175.79 1fxt s LEU 89 N 1.45 -0.34 0.06 0.00 2.96 -1.26 -4.80 118.68 116.75 1fxt s LEU 89 Ca 0.03 -0.24 -0.23 0.00 -0.22 0.00 0.00 54.13 53.47 1fxt s LEU 89 Cb -0.23 0.67 -0.15 0.00 0.50 0.00 0.00 46.19 46.98 1fxt s LEU 89 CO 0.03 -0.34 1.60 -0.78 -1.32 0.00 0.00 176.35 175.54 1fxt h ASP 90 N 8.25 0.04 0.30 3.68 3.58 -1.98 -2.20 116.42 128.09 1fxt h ASP 90 Ca -0.16 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.13 1fxt h ASP 90 Cb 1.13 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.17 1fxt h ASP 90 CO 0.29 0.18 -0.03 0.16 -2.88 0.00 0.00 179.24 176.97 1fxt h ILE 91 N -0.10 0.19 -0.08 2.25 -0.00 -1.94 0.17 117.51 118.00 1fxt h ILE 91 Ca 0.01 -0.23 -0.10 0.00 -0.00 0.00 0.00 64.86 64.54 1fxt h ILE 91 Cb 0.15 1.19 0.00 0.00 -0.00 0.00 0.00 36.82 38.16 1fxt h ILE 91 CO -0.00 0.03 -0.33 0.25 -0.00 0.00 0.00 178.15 178.09 1fxt h LEU 92 N 0.00 0.43 0.00 0.16 5.85 -1.73 -3.33 115.31 116.70 1fxt h LEU 92 Ca -0.00 -0.63 -0.17 0.00 0.84 0.00 0.00 57.88 57.92 1fxt h LEU 92 Cb 0.19 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1fxt h LEU 92 CO 0.00 0.99 -2.12 1.17 -0.34 0.00 0.00 178.44 178.15 1fxt n LYS 93 N -4.40 0.75 0.03 1.25 4.81 -0.87 -3.97 118.16 115.76 1fxt n LYS 93 Ca -0.08 -0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 1fxt n LYS 93 Cb 0.51 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 34.07 1fxt n LYS 93 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1fxt n ASN 94 N -2.46 0.75 -4.30 3.14 3.02 0.52 -4.72 115.26 111.22 1fxt n ASN 94 Ca -0.17 0.10 -0.45 0.00 -0.03 0.00 0.00 54.58 54.03 1fxt n ASN 94 Cb 0.82 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1fxt n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fxt n ALA 95 N -3.18 4.35 -1.76 5.41 0.00 -0.75 -4.77 120.51 119.82 1fxt n ALA 95 Ca 0.00 -4.63 -0.39 0.00 0.00 0.00 0.00 53.44 48.42 1fxt n ALA 95 Cb 0.00 -2.53 -0.05 0.00 0.00 0.00 0.00 19.45 16.88 1fxt n ALA 95 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1fxt s TRP 96 N -1.13 3.63 -0.37 0.00 -0.00 -1.25 -4.41 118.94 115.40 1fxt s TRP 96 Ca 0.33 1.75 -0.25 0.00 -0.00 0.00 0.00 56.10 57.92 1fxt s TRP 96 Cb -0.07 -3.17 0.01 0.00 -0.00 0.00 0.00 33.47 30.25 1fxt s TRP 96 CO -0.04 -0.29 0.88 0.45 -0.00 0.00 0.00 176.95 177.95 1fxt s SER 97 N -1.11 6.63 0.54 5.86 0.15 -1.26 -5.01 113.70 119.50 1fxt s SER 97 Ca 0.46 0.48 0.23 0.00 0.70 0.00 0.00 55.95 57.82 1fxt s SER 97 Cb -0.28 -2.44 1.24 0.00 -1.71 0.00 0.00 66.02 62.83 1fxt s SER 97 CO 0.36 -0.82 1.66 -0.65 1.20 0.00 0.00 173.24 174.99 1fxt h PRO 98 N 8.50 0.00 -0.70 5.44 0.11 -1.87 -2.69 132.00 140.79 1fxt h PRO 98 Ca -0.24 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.54 1fxt h PRO 98 Cb 1.08 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.99 1fxt h PRO 98 CO 0.96 0.00 0.31 1.33 -0.21 0.00 0.00 178.00 180.39 1fxt n VAL 99 N -2.57 2.90 -2.73 3.15 0.24 -1.26 -4.59 118.33 113.46 1fxt n VAL 99 Ca -0.02 -2.21 -0.43 0.00 -2.04 0.00 0.00 64.34 59.65 1fxt n VAL 99 Cb 0.38 -0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 32.33 1fxt n VAL 99 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1fxt s ILE 100 N -3.23 4.70 0.46 1.34 1.01 -1.02 -5.07 121.20 119.39 1fxt s ILE 100 Ca 0.52 1.82 -0.21 0.00 0.00 0.00 0.00 60.65 62.77 1fxt s ILE 100 Cb 0.44 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 1fxt s ILE 100 CO 0.07 -0.21 1.04 0.42 0.00 0.00 0.00 174.94 176.26 1fxt s THR 101 N 3.18 3.78 0.45 2.92 -4.23 -1.26 -4.94 115.64 115.53 1fxt s THR 101 Ca 0.41 1.16 0.13 0.00 -1.18 0.00 0.00 61.69 62.21 1fxt s THR 101 Cb -0.15 -3.50 0.30 0.00 1.34 0.00 0.00 72.50 70.49 1fxt s THR 101 CO 0.08 -0.18 2.04 -0.07 -0.54 0.00 0.00 174.62 175.95 1fxt h LEU 102 N 1.78 0.31 -1.10 4.79 3.38 -1.97 -0.57 115.31 121.93 1fxt h LEU 102 Ca -0.49 -0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.64 1fxt h LEU 102 Cb 1.22 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 1fxt h LEU 102 CO 0.60 0.21 0.61 0.50 0.09 0.00 0.00 178.44 180.45 1fxt h LYS 103 N 0.36 0.76 -0.12 1.13 3.64 -1.95 -1.91 116.57 118.49 1fxt h LYS 103 Ca 0.18 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.30 1fxt h LYS 103 Cb 0.25 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1fxt h LYS 103 CO -0.04 0.51 -0.74 1.03 -2.27 0.00 0.00 179.45 177.94 1fxt h SER 104 N 0.79 0.85 -0.49 4.20 0.87 -1.70 -3.34 113.55 114.73 1fxt h SER 104 Ca 0.53 -0.65 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 1fxt h SER 104 Cb 0.79 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1fxt h SER 104 CO -0.30 1.37 0.04 0.00 -0.53 0.00 0.00 176.83 177.41 1fxt h ALA 105 N 0.50 0.65 -0.27 6.23 0.00 -0.91 -1.71 119.26 123.76 1fxt h ALA 105 Ca -0.06 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1fxt h ALA 105 Cb 1.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1fxt h ALA 105 CO 0.15 0.42 -0.29 -0.07 0.00 0.00 0.00 179.25 179.46 1fxt h LEU 106 N 0.70 0.55 -1.75 0.00 -0.00 -1.58 -2.74 115.31 110.50 1fxt h LEU 106 Ca 0.14 -0.20 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 1fxt h LEU 106 Cb 0.45 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.96 1fxt h LEU 106 CO 0.02 0.82 -0.12 0.40 -0.00 0.00 0.00 178.44 179.55 1fxt h ILE 107 N 0.47 1.09 -0.61 1.22 2.04 -1.68 -2.29 117.51 117.75 1fxt h ILE 107 Ca 0.06 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1fxt h ILE 107 Cb 0.74 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1fxt h ILE 107 CO 0.06 0.12 0.39 -1.28 0.00 0.00 0.00 178.15 177.44 1fxt h SER 108 N 0.01 0.71 -0.73 1.72 0.87 -1.02 -2.11 113.55 113.00 1fxt h SER 108 Ca 0.00 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1fxt h SER 108 Cb 0.22 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1fxt h SER 108 CO 0.02 0.53 0.32 -0.07 -0.53 0.00 0.00 176.83 177.10 1fxt h LEU 109 N 0.83 0.98 -0.11 2.23 3.38 -1.32 -0.23 115.31 121.08 1fxt h LEU 109 Ca 0.22 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1fxt h LEU 109 Cb -0.07 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.37 1fxt h LEU 109 CO -0.05 0.86 -0.31 -0.61 0.09 0.00 0.00 178.44 178.43 1fxt h GLN 110 N 1.03 -0.38 -0.17 1.13 4.15 -1.45 -1.46 115.11 117.96 1fxt h GLN 110 Ca 0.25 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 1fxt h GLN 110 Cb 0.17 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1fxt h GLN 110 CO -0.03 -0.25 -0.03 0.00 -1.93 0.00 0.00 178.83 176.59 1fxt h ALA 111 N 0.43 1.65 -0.38 3.38 0.00 -1.38 -1.66 119.26 121.30 1fxt h ALA 111 Ca 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1fxt h ALA 111 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1fxt h ALA 111 CO -0.33 0.27 0.23 1.25 0.00 0.00 0.00 179.25 180.67 1fxt h LEU 112 N 0.24 0.45 -0.73 0.00 5.85 -0.90 -3.26 115.31 116.97 1fxt h LEU 112 Ca 0.06 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1fxt h LEU 112 Cb 0.21 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1fxt h LEU 112 CO 0.01 0.36 0.22 -0.07 -0.34 0.00 0.00 178.44 178.62 1fxt h LEU 113 N 0.50 1.07 -1.97 2.25 3.38 -1.17 -3.37 115.31 116.00 1fxt h LEU 113 Ca 0.14 -0.21 0.25 0.00 0.09 0.00 0.00 57.88 58.14 1fxt h LEU 113 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1fxt h LEU 113 CO -0.03 1.00 0.65 -0.61 0.09 0.00 0.00 178.44 179.55 1fxt h GLN 114 N 1.09 0.00 -2.18 1.13 5.75 -1.34 -3.35 115.11 116.21 1fxt h GLN 114 Ca 0.23 0.00 -0.44 0.00 -0.15 0.00 0.00 58.65 58.30 1fxt h GLN 114 Cb 0.32 0.00 -0.34 0.00 1.07 0.00 0.00 27.48 28.53 1fxt h GLN 114 CO -0.01 0.00 -0.74 -1.12 -2.65 0.00 0.00 178.83 174.32 1fxt s SER 115 N -5.48 1.81 0.46 -0.69 0.01 -1.26 -4.97 113.70 103.59 1fxt s SER 115 Ca -0.05 -1.70 -0.24 0.00 1.31 0.00 0.00 55.95 55.27 1fxt s SER 115 Cb 0.21 0.24 -0.07 0.00 0.21 0.00 0.00 66.02 66.60 1fxt s SER 115 CO 0.74 -0.29 1.30 -2.84 0.41 0.00 0.00 173.24 172.56 1fxt s PRO 116 N 1.40 3.68 -0.07 12.44 0.02 -1.26 -5.01 135.00 146.20 1fxt s PRO 116 Ca 0.17 2.11 -0.04 0.00 0.02 0.00 0.00 61.00 63.26 1fxt s PRO 116 Cb -0.18 -2.54 0.04 0.00 0.02 0.00 0.00 34.50 31.85 1fxt s PRO 116 CO -0.05 -0.72 0.17 -1.21 -0.33 0.00 0.00 177.00 174.86 1fxt s GLU 117 N -2.54 0.13 -1.33 5.54 2.02 -1.26 -5.10 118.70 116.16 1fxt s GLU 117 Ca 0.63 0.39 -0.13 0.00 0.02 0.00 0.00 54.97 55.88 1fxt s GLU 117 Cb -0.37 -0.13 0.11 0.00 0.10 0.00 0.00 34.13 33.84 1fxt s GLU 117 CO 0.46 -0.15 1.89 -0.35 0.02 0.00 0.00 175.26 177.13 1fxt n PRO 118 N 4.07 3.27 0.08 0.39 -0.04 -1.26 -4.60 135.00 136.90 1fxt n PRO 118 Ca -0.25 -3.25 0.00 0.00 -0.04 0.00 0.00 63.50 59.97 1fxt n PRO 118 Cb 0.53 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 1fxt n PRO 118 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1fxt n ASN 119 N 5.61 0.62 -4.44 3.54 3.02 -1.26 -4.93 115.26 117.41 1fxt n ASN 119 Ca 0.45 0.24 -0.44 0.00 -0.03 0.00 0.00 54.58 54.80 1fxt n ASN 119 Cb 0.40 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.44 1fxt n ASN 119 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1fxt s ASP 120 N -5.60 6.23 -0.07 6.41 1.01 -1.26 -5.08 116.67 118.31 1fxt s ASP 120 Ca 0.00 -0.94 -0.22 0.00 0.71 0.00 0.00 52.55 52.10 1fxt s ASP 120 Cb 0.00 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 1fxt s ASP 120 CO 0.00 -1.07 0.66 -2.16 0.21 0.00 0.00 175.17 172.81 1fxt s PRO 121 N 3.06 4.42 0.00 8.23 0.04 -1.26 -4.16 135.00 145.32 1fxt s PRO 121 Ca 0.18 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1fxt s PRO 121 Cb -0.19 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1fxt s PRO 121 CO 0.12 0.11 0.00 0.94 0.04 0.00 0.00 177.00 178.21 1fxt n GLN 122 N 3.65 0.00 -2.64 4.56 -0.06 -0.52 -4.73 117.38 117.65 1fxt n GLN 122 Ca -0.03 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.55 1fxt n GLN 122 Cb 0.51 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.66 1fxt n GLN 122 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1fxt s ASP 123 N -0.42 6.31 0.22 1.69 1.11 -1.25 -4.96 116.67 119.37 1fxt s ASP 123 Ca 0.00 -0.25 -0.08 0.00 0.18 0.00 0.00 52.55 52.40 1fxt s ASP 123 Cb 0.00 -2.52 0.25 0.00 1.07 0.00 0.00 42.92 41.72 1fxt s ASP 123 CO 0.00 -1.55 1.85 0.00 1.18 0.00 0.00 175.17 176.65 1fxt h ALA 124 N 9.66 1.03 0.00 5.23 0.00 -1.93 -2.09 119.26 131.16 1fxt h ALA 124 Ca -0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1fxt h ALA 124 Cb 1.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1fxt h ALA 124 CO 1.20 0.24 -0.19 0.93 0.00 0.00 0.00 179.25 181.43 1fxt h GLU 125 N 0.90 0.00 -0.44 0.00 4.39 -1.99 -1.56 114.58 115.88 1fxt h GLU 125 Ca 0.32 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.90 1fxt h GLU 125 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1fxt h GLU 125 CO -0.14 0.19 -0.18 0.28 -1.16 0.00 0.00 179.01 178.00 1fxt h VAL 126 N 0.00 1.27 -0.29 3.13 2.07 -1.78 -0.10 116.25 120.55 1fxt h VAL 126 Ca -0.00 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.20 1fxt h VAL 126 Cb 0.38 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1fxt h VAL 126 CO 0.02 0.45 0.17 0.00 0.02 0.00 0.00 177.57 178.24 1fxt h ALA 127 N 0.85 0.37 -0.40 1.67 0.00 -1.36 -1.18 119.26 119.21 1fxt h ALA 127 Ca 0.10 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1fxt h ALA 127 Cb 0.75 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1fxt h ALA 127 CO 0.06 -0.20 -0.06 0.37 0.00 0.00 0.00 179.25 179.42 1fxt h GLN 128 N 0.35 0.04 -0.00 0.00 -0.00 -1.32 -2.02 115.11 112.15 1fxt h GLN 128 Ca 0.11 -0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.80 1fxt h GLN 128 Cb -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 27.48 27.42 1fxt h GLN 128 CO -0.05 0.02 -0.35 1.25 0.00 0.00 0.00 178.83 179.70 1fxt h HIS 129 N 0.04 -0.96 -0.53 3.99 2.76 -0.98 -1.69 115.15 117.78 1fxt h HIS 129 Ca 0.19 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1fxt h HIS 129 Cb 0.29 0.42 -0.03 0.00 1.55 0.00 0.00 27.41 29.65 1fxt h HIS 129 CO -0.32 -0.44 0.31 -0.92 -1.30 0.00 0.00 177.93 175.26 1fxt h TYR 130 N -0.50 0.69 -0.43 5.26 3.20 -1.17 0.24 116.97 124.25 1fxt h TYR 130 Ca 0.06 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1fxt h TYR 130 Cb 0.59 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1fxt h TYR 130 CO -0.37 0.47 0.23 -0.07 -1.64 0.00 0.00 178.16 176.78 1fxt h LEU 131 N 0.72 0.34 -0.83 2.82 3.38 -1.31 -3.28 115.31 117.15 1fxt h LEU 131 Ca 0.19 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 1fxt h LEU 131 Cb -0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1fxt h LEU 131 CO -0.03 0.24 -0.25 -0.09 0.09 0.00 0.00 178.44 178.40 1fxt h ARG 132 N 0.46 0.60 -6.79 1.13 2.43 -0.94 -3.49 114.38 107.77 1fxt h ARG 132 Ca 0.18 -0.23 -0.69 0.00 -0.81 0.00 0.00 59.98 58.43 1fxt h ARG 132 Cb 0.07 -0.03 -0.23 0.00 -0.42 0.00 0.00 29.97 29.36 1fxt h ARG 132 CO -0.12 0.79 -0.85 0.34 -1.51 0.00 0.00 179.97 178.62 1fxt s ASP 133 N -6.79 3.44 -0.28 -3.80 -1.08 0.04 -5.03 116.67 103.17 1fxt s ASP 133 Ca -0.08 -0.63 0.21 0.00 -0.52 0.00 0.00 52.55 51.52 1fxt s ASP 133 Cb 0.13 -0.35 0.49 0.00 -1.46 0.00 0.00 42.92 41.74 1fxt s ASP 133 CO 0.81 0.21 1.11 -1.14 0.52 0.00 0.00 175.17 176.67 1fxt n ARG 134 N 1.19 1.54 0.15 4.34 3.00 -1.26 -4.75 116.66 120.87 1fxt n ARG 134 Ca -0.17 -3.24 0.00 0.00 -0.00 0.00 0.00 57.85 54.44 1fxt n ARG 134 Cb 0.53 -1.33 0.00 0.00 0.00 0.00 0.00 32.46 31.65 1fxt n ARG 134 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1fxt n GLU 135 N -0.53 0.00 0.25 -0.14 -0.00 -1.26 -4.75 120.64 114.21 1fxt n GLU 135 Ca 0.06 0.00 0.11 0.00 -0.00 0.00 0.00 57.16 57.33 1fxt n GLU 135 Cb 0.81 0.00 0.65 0.00 -0.00 0.00 0.00 31.44 32.90 1fxt n GLU 135 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1fxt h SER 136 N 0.00 0.00 -0.44 -1.84 0.87 -1.98 -1.25 113.55 108.91 1fxt h SER 136 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1fxt h SER 136 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1fxt h SER 136 CO 0.00 0.16 0.20 0.15 -0.53 0.00 0.00 176.83 176.81 1fxt h PHE 137 N 0.00 0.64 -0.18 2.24 3.04 -1.90 -0.34 116.94 120.43 1fxt h PHE 137 Ca -0.00 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.87 1fxt h PHE 137 Cb 0.44 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 1fxt h PHE 137 CO 0.00 0.53 -0.08 -0.91 -2.02 0.00 0.00 178.31 175.83 1fxt h ASN 138 N 0.57 0.26 0.38 0.41 2.35 -1.81 -1.04 115.58 116.70 1fxt h ASN 138 Ca 0.15 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1fxt h ASN 138 Cb 0.14 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1fxt h ASN 138 CO -0.02 0.38 -0.18 0.11 -1.65 0.00 0.00 177.43 176.07 1fxt h LYS 139 N 0.27 -0.49 0.09 0.81 1.57 -1.20 -3.29 116.57 114.33 1fxt h LYS 139 Ca 0.06 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1fxt h LYS 139 Cb 0.32 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1fxt h LYS 139 CO 0.02 -0.25 -0.04 1.15 -0.57 0.00 0.00 179.45 179.75 1fxt h THR 140 N -0.64 1.05 -0.93 -0.16 2.02 -1.01 -3.05 112.91 110.18 1fxt h THR 140 Ca -0.05 -1.41 0.01 0.00 0.77 0.00 0.00 66.41 65.73 1fxt h THR 140 Cb 0.47 1.84 -0.05 0.00 -1.74 0.00 0.00 68.15 68.67 1fxt h THR 140 CO 0.09 0.30 0.60 0.00 0.37 0.00 0.00 175.52 176.88 1fxt h ALA 141 N -0.20 1.19 -0.49 6.16 0.00 -1.41 -0.84 119.26 123.66 1fxt h ALA 141 Ca -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1fxt h ALA 141 Cb 0.58 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1fxt h ALA 141 CO 0.02 0.60 0.05 0.00 0.00 0.00 0.00 179.25 179.92 1fxt h ALA 142 N 1.33 0.65 -0.06 0.00 0.00 -1.63 -1.75 119.26 117.81 1fxt h ALA 142 Ca 0.34 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1fxt h ALA 142 Cb -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1fxt h ALA 142 CO -0.07 0.41 -0.04 1.25 0.00 0.00 0.00 179.25 180.80 1fxt h LEU 143 N 0.70 -0.12 -0.87 0.00 5.85 -1.50 -2.41 115.31 116.96 1fxt h LEU 143 Ca 0.15 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1fxt h LEU 143 Cb 0.44 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1fxt h LEU 143 CO 0.02 -0.05 0.56 -0.50 -0.34 0.00 0.00 178.44 178.12 1fxt h TRP 144 N -0.04 1.04 -0.24 1.25 4.06 -1.18 -1.56 115.95 119.27 1fxt h TRP 144 Ca 0.04 0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.03 1fxt h TRP 144 Cb 0.09 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 27.89 1fxt h TRP 144 CO -0.14 0.59 0.13 1.15 -3.56 0.00 0.00 178.44 176.60 1fxt h THR 145 N 1.07 1.01 0.00 1.49 2.02 -1.36 -0.02 112.91 117.11 1fxt h THR 145 Ca 0.35 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.40 1fxt h THR 145 Cb 0.04 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1fxt h THR 145 CO -0.13 0.05 -0.18 0.03 0.37 0.00 0.00 175.52 175.66 1fxt h ARG 146 N 0.27 0.00 0.00 6.66 2.47 -1.21 -2.82 114.38 119.74 1fxt h ARG 146 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1fxt h ARG 146 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1fxt h ARG 146 CO -0.06 0.18 -0.27 1.28 0.56 0.00 0.00 179.97 181.66 1fxt n LEU 147 N -3.95 0.90 -0.07 3.04 4.77 -0.61 -4.68 117.00 116.40 1fxt n LEU 147 Ca -0.02 0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 56.25 1fxt n LEU 147 Cb 0.27 -0.68 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1fxt n LEU 147 CO 0.34 -0.48 0.46 1.88 -1.33 0.00 0.00 177.39 178.26 1fxt h TYR 148 N -0.50 1.04 -1.90 -1.77 0.05 -1.16 -3.33 116.97 109.40 1fxt h TYR 148 Ca 0.00 -0.36 -0.77 0.00 0.05 0.00 0.00 58.73 57.65 1fxt h TYR 148 Cb 0.27 -0.20 -0.19 0.00 1.01 0.00 0.00 36.73 37.62 1fxt h TYR 148 CO -0.12 1.17 1.61 0.00 -1.05 0.00 0.00 178.16 179.78 1fxt n ALA 149 N -2.56 5.13 1.89 3.88 0.00 -1.06 -4.73 120.51 123.05 1fxt n ALA 149 Ca -0.04 -4.44 0.15 0.00 0.00 0.00 0.00 53.44 49.12 1fxt n ALA 149 Cb 0.61 -2.82 0.90 0.00 0.00 0.00 0.00 19.45 18.13 1fxt n ALA 149 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93