#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a05 s LYS 2 N 0.00 3.54 -0.19 2.12 -0.14 -1.26 -4.99 119.74 118.81 1a05 s LYS 2 Ca 0.00 -0.36 -0.11 0.00 -1.36 0.00 0.00 55.97 54.14 1a05 s LYS 2 Cb 0.00 -3.03 -0.05 0.00 -1.68 0.00 0.00 37.83 33.07 1a05 s LYS 2 CO 0.00 0.48 0.18 0.15 -0.76 0.00 0.00 175.35 175.40 1a05 s LYS 3 N -0.24 4.20 -0.18 1.68 3.01 -1.26 -0.50 119.74 126.46 1a05 s LYS 3 Ca 0.07 -0.13 0.01 0.00 -1.01 0.00 0.00 55.97 54.91 1a05 s LYS 3 Cb -0.12 -3.43 0.02 0.00 -1.01 0.00 0.00 37.83 33.28 1a05 s LYS 3 CO 0.02 0.26 -0.19 0.42 0.51 0.00 0.00 175.35 176.36 1a05 s ILE 4 N 0.46 2.16 -0.13 2.17 1.01 0.71 -0.36 121.20 127.23 1a05 s ILE 4 Ca 0.11 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 1a05 s ILE 4 Cb -0.12 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 1a05 s ILE 4 CO 0.00 0.53 0.35 0.00 0.00 0.00 0.00 174.94 175.82 1a05 s ALA 5 N 1.21 3.59 -0.13 9.38 0.00 -0.58 -0.50 121.76 134.73 1a05 s ALA 5 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1a05 s ALA 5 Cb -0.14 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.54 1a05 s ALA 5 CO -0.10 0.14 -0.14 0.42 0.00 0.00 0.00 175.76 176.08 1a05 s ILE 6 N 0.23 2.88 -0.54 0.00 1.01 0.29 -1.18 121.20 123.90 1a05 s ILE 6 Ca 0.20 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.18 1a05 s ILE 6 Cb -0.14 -2.21 0.17 0.00 0.01 0.00 0.00 42.46 40.29 1a05 s ILE 6 CO 0.07 0.52 0.40 -0.36 0.00 0.00 0.00 174.94 175.57 1a05 s PHE 7 N 0.47 2.17 0.19 3.97 0.08 0.17 0.49 117.98 125.51 1a05 s PHE 7 Ca -0.10 -2.75 -0.14 0.00 0.12 0.00 0.00 56.93 54.05 1a05 s PHE 7 Cb -0.16 -1.71 0.19 0.00 -0.57 0.00 0.00 43.02 40.77 1a05 s PHE 7 CO 0.05 -0.71 1.67 0.00 -0.10 0.00 0.00 175.22 176.13 1a05 h ALA 8 N 5.59 0.44 0.00 5.36 0.00 -1.79 -2.04 119.26 126.82 1a05 h ALA 8 Ca 0.20 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1a05 h ALA 8 Cb 0.84 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1a05 h ALA 8 CO 0.52 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1a05 n GLY 9 N -1.33 0.54 3.84 0.00 0.00 -1.26 -1.13 105.19 105.86 1a05 n GLY 9 Ca 0.05 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 1a05 n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a05 s ASP 10 N -4.00 5.32 1.89 1.61 1.01 0.10 -4.48 116.67 118.12 1a05 s ASP 10 Ca 0.00 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.80 1a05 s ASP 10 Cb 0.00 -1.04 0.00 0.00 1.01 0.00 0.00 42.92 42.89 1a05 s ASP 10 CO 0.00 -0.30 0.00 0.61 0.21 0.00 0.00 175.17 175.69 1a05 n GLY 11 N -1.33 4.23 0.08 0.21 0.00 -1.26 -0.98 105.19 106.13 1a05 n GLY 11 Ca -0.03 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.29 1a05 n GLY 11 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1a05 n ILE 12 N 0.00 0.00 0.11 -0.61 -5.35 -0.75 -4.21 119.36 108.56 1a05 n ILE 12 Ca 0.00 -0.04 -0.13 0.00 -0.27 0.00 0.00 62.75 62.31 1a05 n ILE 12 Cb 0.00 -0.33 -0.06 0.00 -1.74 0.00 0.00 39.64 37.51 1a05 n ILE 12 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1a05 h GLY 13 N 5.01 -0.59 0.48 3.28 0.00 -1.28 -1.83 103.07 108.13 1a05 h GLY 13 Ca 0.00 0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.78 1a05 h GLY 13 CO 0.00 -0.24 0.16 -2.55 0.00 0.00 0.00 176.54 173.91 1a05 h PRO 14 N -0.53 0.31 -0.14 4.80 0.11 -1.73 -2.39 132.00 132.44 1a05 h PRO 14 Ca 0.03 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.94 1a05 h PRO 14 Cb 0.57 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 1a05 h PRO 14 CO -0.19 0.21 -0.67 1.05 -0.21 0.00 0.00 178.00 178.19 1a05 h GLU 15 N 0.32 0.54 0.00 1.05 4.11 -1.81 -2.02 114.58 116.77 1a05 h GLU 15 Ca 0.25 -0.40 -0.09 0.00 0.07 0.00 0.00 59.36 59.19 1a05 h GLU 15 Cb 0.28 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1a05 h GLU 15 CO -0.27 1.02 -0.43 -0.84 0.07 0.00 0.00 179.01 178.57 1a05 h ILE 16 N 0.39 1.00 0.02 -1.06 3.07 -1.29 -2.28 117.51 117.36 1a05 h ILE 16 Ca -0.02 -1.65 -0.27 0.00 1.55 0.00 0.00 64.86 64.47 1a05 h ILE 16 Cb 1.24 1.98 0.02 0.00 -0.27 0.00 0.00 36.82 39.79 1a05 h ILE 16 CO 0.12 0.42 -1.07 0.58 -1.05 0.00 0.00 178.15 177.15 1a05 h VAL 17 N 0.00 1.29 -0.20 0.16 2.07 -1.37 -2.20 116.25 116.01 1a05 h VAL 17 Ca -0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1a05 h VAL 17 Cb 0.94 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 1a05 h VAL 17 CO 0.06 0.71 0.13 0.00 0.02 0.00 0.00 177.57 178.49 1a05 h ALA 18 N 0.42 0.25 -0.56 1.67 0.00 -1.25 0.47 119.26 120.25 1a05 h ALA 18 Ca -0.14 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1a05 h ALA 18 Cb 1.73 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1a05 h ALA 18 CO 0.21 -0.26 0.36 0.00 0.00 0.00 0.00 179.25 179.55 1a05 h ALA 19 N 1.07 0.72 0.00 0.00 0.00 -1.44 -1.83 119.26 117.78 1a05 h ALA 19 Ca 0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1a05 h ALA 19 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1a05 h ALA 19 CO -0.02 0.11 -0.44 0.00 0.00 0.00 0.00 179.25 178.90 1a05 h ALA 20 N 1.23 1.08 -0.05 0.00 0.00 -0.99 -2.76 119.26 117.77 1a05 h ALA 20 Ca 0.22 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1a05 h ALA 20 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a05 h ALA 20 CO -0.07 0.55 -0.45 -0.09 0.00 0.00 0.00 179.25 179.19 1a05 h ARG 21 N 0.00 0.12 0.19 0.00 2.43 0.68 -0.87 114.38 116.92 1a05 h ARG 21 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1a05 h ARG 21 Cb 0.89 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1a05 h ARG 21 CO 0.06 0.55 -0.19 1.96 -1.51 0.00 0.00 179.97 180.84 1a05 h GLN 22 N 0.10 -0.40 -0.66 0.20 4.20 -1.05 0.25 115.11 117.75 1a05 h GLN 22 Ca 0.01 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1a05 h GLN 22 Cb 0.84 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.68 1a05 h GLN 22 CO 0.06 -0.27 0.43 0.28 -0.67 0.00 0.00 178.83 178.67 1a05 h VAL 23 N -0.41 1.14 0.02 -0.54 2.07 -1.52 -1.43 116.25 115.58 1a05 h VAL 23 Ca 0.00 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1a05 h VAL 23 Cb 0.39 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1a05 h VAL 23 CO -0.05 0.16 -0.01 0.25 0.02 0.00 0.00 177.57 177.94 1a05 h LEU 24 N 0.86 -0.02 -1.63 2.57 6.46 -0.78 -1.37 115.31 121.40 1a05 h LEU 24 Ca 0.25 -0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1a05 h LEU 24 Cb -0.06 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 1a05 h LEU 24 CO -0.07 0.08 0.27 0.44 -0.62 0.00 0.00 178.44 178.54 1a05 h ASP 25 N -0.13 0.42 -0.15 1.25 3.32 -0.32 -0.52 116.42 120.29 1a05 h ASP 25 Ca -0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1a05 h ASP 25 Cb 0.12 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1a05 h ASP 25 CO 0.00 0.30 -0.05 0.00 -1.72 0.00 0.00 179.24 177.78 1a05 h ALA 26 N 1.75 0.21 -0.46 3.45 0.00 -0.88 -1.99 119.26 121.33 1a05 h ALA 26 Ca 0.16 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1a05 h ALA 26 Cb 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1a05 h ALA 26 CO -0.04 -0.03 -0.05 0.28 0.00 0.00 0.00 179.25 179.41 1a05 h VAL 27 N -0.02 1.25 -0.28 0.00 2.07 -0.81 -1.94 116.25 116.52 1a05 h VAL 27 Ca 0.04 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1a05 h VAL 27 Cb 0.49 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1a05 h VAL 27 CO 0.02 0.38 0.18 -0.78 0.02 0.00 0.00 177.57 177.39 1a05 h ASP 28 N 0.73 0.33 -0.07 0.57 3.58 -1.03 0.88 116.42 121.42 1a05 h ASP 28 Ca 0.13 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1a05 h ASP 28 Cb 0.52 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1a05 h ASP 28 CO 0.03 0.25 0.02 1.56 -2.88 0.00 0.00 179.24 178.22 1a05 h GLN 29 N 0.37 0.11 0.07 0.28 1.08 -1.21 0.47 115.11 116.27 1a05 h GLN 29 Ca 0.10 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1a05 h GLN 29 Cb -0.02 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1a05 h GLN 29 CO -0.02 0.30 -0.03 0.00 -0.95 0.00 0.00 178.83 178.13 1a05 h ALA 30 N 0.80 -0.09 0.00 3.87 0.00 -1.26 -3.19 119.26 119.39 1a05 h ALA 30 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a05 h ALA 30 Cb 0.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a05 h ALA 30 CO 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 179.25 178.62 1a05 h ALA 31 N 0.75 0.93 -5.16 0.00 0.00 -0.88 -3.48 119.26 111.42 1a05 h ALA 31 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1a05 h ALA 31 Cb 0.15 0.00 0.17 0.00 0.00 0.00 0.00 17.79 18.11 1a05 h ALA 31 CO 0.01 0.00 -0.73 0.72 0.00 0.00 0.00 179.25 179.26 1a05 n HIS 32 N -2.98 -2.08 0.14 0.00 -0.00 0.16 -4.94 115.22 105.52 1a05 n HIS 32 Ca 0.04 0.77 0.02 0.00 -0.00 0.00 0.00 57.72 58.55 1a05 n HIS 32 Cb 0.52 -4.18 0.08 0.00 -0.00 0.00 0.00 29.99 26.41 1a05 n HIS 32 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1a05 h LEU 33 N -1.18 0.00 1.49 2.41 3.38 -1.77 -3.48 115.31 116.16 1a05 h LEU 33 Ca -0.53 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.16 1a05 h LEU 33 Cb 1.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.04 1a05 h LEU 33 CO 0.40 0.53 -0.38 0.61 0.09 0.00 0.00 178.44 179.70 1a05 n GLY 34 N 1.02 -0.18 3.77 0.83 0.00 -1.26 -4.61 105.19 104.75 1a05 n GLY 34 Ca 0.01 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1a05 n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a05 s LEU 35 N -4.26 4.02 -0.18 0.99 1.43 -1.26 -4.13 118.68 115.29 1a05 s LEU 35 Ca 0.07 2.39 0.01 0.00 -1.03 0.00 0.00 54.13 55.57 1a05 s LEU 35 Cb -0.03 -4.21 0.02 0.00 0.03 0.00 0.00 46.19 42.00 1a05 s LEU 35 CO 0.09 -0.98 -0.19 -0.60 0.23 0.00 0.00 176.35 174.90 1a05 s ARG 36 N -2.66 3.02 -0.08 1.70 3.52 0.34 -4.95 118.95 119.83 1a05 s ARG 36 Ca 0.64 -0.82 -0.00 0.00 -0.13 0.00 0.00 55.73 55.42 1a05 s ARG 36 Cb -0.31 -2.60 -0.03 0.00 -1.56 0.00 0.00 34.95 30.45 1a05 s ARG 36 CO 0.38 -0.20 -0.05 0.00 -0.81 0.00 0.00 175.30 174.61 1a05 s THR 38 N -0.72 1.07 -0.13 0.00 -4.23 0.34 -4.95 115.64 107.03 1a05 s THR 38 Ca 0.11 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 59.77 1a05 s THR 38 Cb -0.11 -0.94 -0.03 0.00 1.34 0.00 0.00 72.50 72.75 1a05 s THR 38 CO 0.02 0.13 0.02 -1.61 -0.54 0.00 0.00 174.62 172.64 1a05 s GLU 39 N -0.78 3.41 0.11 3.99 2.02 -1.26 0.10 118.70 126.30 1a05 s GLU 39 Ca 0.03 -0.39 0.03 0.00 0.02 0.00 0.00 54.97 54.67 1a05 s GLU 39 Cb -0.07 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 1a05 s GLU 39 CO 0.00 0.51 -0.09 0.20 0.02 0.00 0.00 175.26 175.90 1a05 s GLY 40 N -0.33 0.90 0.09 -1.39 0.00 0.18 -4.90 107.32 101.86 1a05 s GLY 40 Ca 0.07 -1.34 -0.16 0.00 0.00 0.00 0.00 44.72 43.30 1a05 s GLY 40 CO 0.02 -1.43 0.52 1.08 0.00 0.00 0.00 173.10 173.29 1a05 s LEU 41 N -2.86 4.44 0.07 0.66 1.43 -1.26 -4.15 118.68 117.02 1a05 s LEU 41 Ca 0.11 1.10 -0.09 0.00 -1.03 0.00 0.00 54.13 54.22 1a05 s LEU 41 Cb 0.01 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.26 1a05 s LEU 41 CO -0.01 0.21 0.20 0.54 0.23 0.00 0.00 176.35 177.52 1a05 s VAL 42 N -1.26 0.13 0.00 -1.59 0.11 -1.26 -4.63 120.40 111.90 1a05 s VAL 42 Ca 0.31 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1a05 s VAL 42 Cb -0.17 -1.20 0.00 0.00 -1.53 0.00 0.00 36.38 33.48 1a05 s VAL 42 CO 0.18 -0.59 0.00 0.61 -3.33 0.00 0.00 175.10 171.97 1a05 n GLY 43 N 0.16 2.59 0.17 6.54 0.00 -0.31 -3.07 105.19 111.27 1a05 n GLY 43 Ca -0.16 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.54 1a05 n GLY 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1a05 h GLY 44 N 0.00 0.00 1.57 -0.02 0.00 -1.89 -2.18 103.07 100.55 1a05 h GLY 44 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1a05 h GLY 44 CO 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 176.30 1a05 h ALA 45 N 1.54 1.09 -0.13 3.60 0.00 -1.80 -1.09 119.26 122.47 1a05 h ALA 45 Ca -0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 1a05 h ALA 45 Cb 0.93 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1a05 h ALA 45 CO 0.06 0.56 -0.70 0.00 0.00 0.00 0.00 179.25 179.17 1a05 h ALA 46 N 1.29 0.54 -0.57 0.00 0.00 -1.47 -2.80 119.26 116.26 1a05 h ALA 46 Ca 0.07 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 1a05 h ALA 46 Cb 0.66 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1a05 h ALA 46 CO 0.05 0.72 0.02 -0.07 0.00 0.00 0.00 179.25 179.97 1a05 h LEU 47 N 0.39 0.97 -1.54 0.00 3.38 -1.16 0.61 115.31 117.96 1a05 h LEU 47 Ca -0.03 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1a05 h LEU 47 Cb 1.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1a05 h LEU 47 CO 0.13 1.03 0.13 0.44 0.09 0.00 0.00 178.44 180.25 1a05 h ASP 48 N 0.88 0.39 0.00 -0.43 3.32 -1.14 0.15 116.42 119.59 1a05 h ASP 48 Ca 0.16 -0.03 -0.34 0.00 0.02 0.00 0.00 57.03 56.84 1a05 h ASP 48 Cb 0.52 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 1a05 h ASP 48 CO 0.03 0.35 -2.29 0.00 -1.72 0.00 0.00 179.24 175.61 1a05 n ALA 49 N -2.48 1.53 -0.43 3.45 0.00 -1.06 -4.74 120.51 116.77 1a05 n ALA 49 Ca 0.02 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1a05 n ALA 49 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a05 n ALA 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1a05 n SER 50 N -2.76 0.84 -3.40 0.00 7.64 0.21 -5.01 113.62 111.15 1a05 n SER 50 Ca -0.32 -1.27 -0.25 0.00 1.01 0.00 0.00 58.87 58.04 1a05 n SER 50 Cb 1.08 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.30 1a05 n SER 50 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1a05 n ASP 51 N -0.14 -4.65 -3.66 6.43 2.03 0.53 -4.92 116.55 112.18 1a05 n ASP 51 Ca 0.00 -0.45 -0.09 0.00 0.52 0.00 0.00 54.79 54.78 1a05 n ASP 51 Cb 0.23 -3.78 -0.09 0.00 -0.72 0.00 0.00 41.12 36.76 1a05 n ASP 51 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1a05 s ASP 52 N -2.85 -0.77 0.07 1.67 -1.08 -1.24 -4.93 116.67 107.54 1a05 s ASP 52 Ca 0.44 1.26 0.15 0.00 -0.52 0.00 0.00 52.55 53.87 1a05 s ASP 52 Cb -0.22 1.14 0.64 0.00 -1.46 0.00 0.00 42.92 43.01 1a05 s ASP 52 CO 0.54 -0.22 1.46 -0.81 0.52 0.00 0.00 175.17 176.66 1a05 n PRO 53 N 4.26 0.05 -2.76 4.34 -0.04 -1.26 -3.05 135.00 136.54 1a05 n PRO 53 Ca -0.21 0.33 -0.05 0.00 -0.04 0.00 0.00 63.50 63.53 1a05 n PRO 53 Cb 0.57 -1.59 0.02 0.00 -0.04 0.00 0.00 33.50 32.46 1a05 n PRO 53 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1a05 n LEU 54 N -1.68 -3.33 -4.57 1.53 -0.00 -1.26 -1.17 117.00 106.52 1a05 n LEU 54 Ca 0.03 -3.02 -0.34 0.00 -0.00 0.00 0.00 56.01 52.68 1a05 n LEU 54 Cb 0.16 0.78 0.10 0.00 -0.00 0.00 0.00 43.42 44.46 1a05 n LEU 54 CO 0.13 1.95 0.38 -2.65 -0.00 0.00 0.00 177.39 177.20 1a05 n PRO 55 N 2.64 0.18 -0.27 1.96 -0.02 -1.26 -4.70 135.00 133.53 1a05 n PRO 55 Ca 0.16 0.12 0.09 0.00 -2.02 0.00 0.00 63.50 61.85 1a05 n PRO 55 Cb 0.58 -2.13 0.34 0.00 -0.02 0.00 0.00 33.50 32.26 1a05 n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a05 h ALA 56 N -0.77 1.72 -0.62 3.55 0.00 -1.99 -0.74 119.26 120.42 1a05 h ALA 56 Ca -0.46 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1a05 h ALA 56 Cb 1.32 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1a05 h ALA 56 CO 0.43 0.07 0.01 0.00 0.00 0.00 0.00 179.25 179.76 1a05 h ALA 57 N 1.58 0.84 -0.62 0.00 0.00 -1.99 -0.83 119.26 118.23 1a05 h ALA 57 Ca 0.42 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1a05 h ALA 57 Cb 0.54 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1a05 h ALA 57 CO -0.19 0.68 0.02 0.77 0.00 0.00 0.00 179.25 180.53 1a05 h SER 58 N 1.00 1.06 -0.40 0.00 0.02 -1.60 -1.92 113.55 111.70 1a05 h SER 58 Ca 0.18 -0.30 -0.06 0.00 -0.84 0.00 0.00 61.79 60.76 1a05 h SER 58 Cb 0.55 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1a05 h SER 58 CO 0.03 1.10 0.00 0.25 -1.14 0.00 0.00 176.83 177.07 1a05 h LEU 59 N 1.00 0.70 -1.05 5.07 7.12 -0.88 -2.35 115.31 124.91 1a05 h LEU 59 Ca 0.18 -0.31 -0.09 0.00 0.13 0.00 0.00 57.88 57.79 1a05 h LEU 59 Cb 0.55 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.48 1a05 h LEU 59 CO 0.03 0.83 -0.36 0.06 -0.13 0.00 0.00 178.44 178.87 1a05 h GLN 60 N 0.54 0.21 -0.11 1.25 3.07 -1.08 -0.65 115.11 118.34 1a05 h GLN 60 Ca 0.11 -0.09 -0.00 0.00 0.09 0.00 0.00 58.65 58.77 1a05 h GLN 60 Cb 0.48 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.02 1a05 h GLN 60 CO 0.02 0.55 0.06 1.25 0.09 0.00 0.00 178.83 180.80 1a05 h LEU 61 N 0.18 0.13 -0.80 0.06 5.85 -1.16 0.35 115.31 119.92 1a05 h LEU 61 Ca 0.02 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1a05 h LEU 61 Cb 0.73 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1a05 h LEU 61 CO 0.06 0.15 0.29 0.00 -0.34 0.00 0.00 178.44 178.60 1a05 h ALA 62 N 0.99 1.03 -0.56 1.25 0.00 -1.14 -2.45 119.26 118.37 1a05 h ALA 62 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1a05 h ALA 62 Cb 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1a05 h ALA 62 CO -0.01 0.67 0.09 0.52 0.00 0.00 0.00 179.25 180.53 1a05 h MET 63 N 1.15 0.89 0.00 0.00 2.86 -0.81 -2.80 114.93 116.22 1a05 h MET 63 Ca 0.26 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1a05 h MET 63 Cb 0.25 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1a05 h MET 63 CO -0.02 0.83 0.00 0.00 1.06 0.00 0.00 176.91 178.78 1a05 n ALA 64 N -2.47 2.10 -2.28 6.32 0.00 0.08 -4.88 120.51 119.39 1a05 n ALA 64 Ca 0.04 -0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 1a05 n ALA 64 Cb 0.26 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.31 1a05 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a05 s ALA 65 N -3.06 3.59 -0.13 0.00 0.00 -0.96 -4.91 121.76 116.29 1a05 s ALA 65 Ca 0.11 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 1a05 s ALA 65 Cb 0.14 -2.31 -0.25 0.00 0.00 0.00 0.00 23.12 20.70 1a05 s ALA 65 CO 0.47 -0.45 0.30 -0.25 0.00 0.00 0.00 175.76 175.84 1a05 n ASP 66 N -2.20 2.10 -4.02 0.00 8.00 0.52 -4.92 116.55 116.03 1a05 n ASP 66 Ca 0.02 0.17 -0.16 0.00 0.71 0.00 0.00 54.79 55.53 1a05 n ASP 66 Cb 0.57 -0.80 -0.14 0.00 -0.02 0.00 0.00 41.12 40.73 1a05 n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a05 s ALA 67 N -2.55 0.60 -0.07 2.24 0.00 -1.07 -3.57 121.76 117.33 1a05 s ALA 67 Ca -0.24 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.31 1a05 s ALA 67 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1a05 s ALA 67 CO 0.75 0.10 -0.22 0.08 0.00 0.00 0.00 175.76 176.46 1a05 s VAL 68 N -0.55 2.28 -0.13 0.00 1.01 1.00 -1.53 120.40 122.48 1a05 s VAL 68 Ca -0.01 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1a05 s VAL 68 Cb -0.05 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 1a05 s VAL 68 CO 0.00 0.56 -0.18 -0.63 0.00 0.00 0.00 175.10 174.86 1a05 s ILE 69 N -0.06 2.55 -0.04 2.22 1.01 -0.32 0.57 121.20 127.12 1a05 s ILE 69 Ca -0.06 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1a05 s ILE 69 Cb -0.14 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.29 1a05 s ILE 69 CO 0.05 0.54 -0.15 -0.22 0.00 0.00 0.00 174.94 175.15 1a05 s LEU 70 N 0.48 1.85 0.00 2.97 0.20 -0.19 -0.66 118.68 123.34 1a05 s LEU 70 Ca -0.12 -0.31 0.00 0.00 0.69 0.00 0.00 54.13 54.38 1a05 s LEU 70 Cb -0.16 -0.87 0.00 0.00 -0.43 0.00 0.00 46.19 44.73 1a05 s LEU 70 CO 0.05 0.12 0.00 0.61 -0.29 0.00 0.00 176.35 176.84 1a05 n GLY 71 N 3.28 0.82 3.48 7.98 0.00 -0.77 -4.17 105.19 115.81 1a05 n GLY 71 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1a05 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a05 s ALA 72 N -3.65 -1.73 0.01 4.61 0.00 -0.28 -4.30 121.76 116.41 1a05 s ALA 72 Ca 0.00 0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.94 1a05 s ALA 72 Cb 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1a05 s ALA 72 CO 0.00 -0.59 -0.07 0.14 0.00 0.00 0.00 175.76 175.24 1a05 s VAL 73 N -2.61 0.56 0.00 0.00 -7.23 -1.26 0.03 120.40 109.89 1a05 s VAL 73 Ca -0.02 -0.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 1a05 s VAL 73 Cb -0.01 -0.53 0.00 0.00 0.56 0.00 0.00 36.38 36.41 1a05 s VAL 73 CO -0.04 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1a05 n GLY 74 N 2.37 3.58 0.00 2.32 0.00 -1.26 -4.44 105.19 107.76 1a05 n GLY 74 Ca -0.17 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1a05 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a05 n GLY 75 N -1.24 4.16 0.03 -0.02 0.00 -1.26 -4.55 105.19 102.30 1a05 n GLY 75 Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.49 1a05 n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a05 n PRO 76 N -1.32 0.03 0.30 1.61 -0.04 -1.26 -2.51 135.00 131.82 1a05 n PRO 76 Ca 0.00 0.43 0.18 0.00 -0.04 0.00 0.00 63.50 64.07 1a05 n PRO 76 Cb 0.00 -1.57 0.96 0.00 -0.04 0.00 0.00 33.50 32.85 1a05 n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a05 h ARG 77 N 0.00 0.00 -0.29 0.54 -0.00 -2.04 -2.82 114.38 109.77 1a05 h ARG 77 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1a05 h ARG 77 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.08 1a05 h ARG 77 CO 0.00 0.03 0.00 0.91 0.00 0.00 0.00 179.97 180.91 1a05 n TRP 78 N -3.31 0.92 0.19 3.04 8.01 -1.04 -4.56 117.44 120.68 1a05 n TRP 78 Ca -0.02 -0.81 0.04 0.00 -1.31 0.00 0.00 57.50 55.40 1a05 n TRP 78 Cb 0.16 -0.28 0.37 0.00 -2.01 0.00 0.00 31.31 29.55 1a05 n TRP 78 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1a05 h ASP 79 N 1.94 0.00 0.31 -0.99 5.19 -1.69 -2.49 116.42 118.70 1a05 h ASP 79 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1a05 h ASP 79 Cb 1.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.86 1a05 h ASP 79 CO 0.20 0.38 0.00 0.00 -3.12 0.00 0.00 179.24 176.70 1a05 n ALA 80 N -2.39 1.58 -2.22 3.45 0.00 -1.26 -4.74 120.51 114.94 1a05 n ALA 80 Ca -0.01 -0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 1a05 n ALA 80 Cb 0.45 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 1a05 n ALA 80 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1a05 s TYR 81 N -2.83 3.40 0.65 0.00 1.51 -0.94 -5.06 117.35 114.09 1a05 s TYR 81 Ca 0.08 1.09 -0.18 0.00 -1.01 0.00 0.00 57.07 57.05 1a05 s TYR 81 Cb 0.07 -2.44 -0.01 0.00 -0.11 0.00 0.00 41.96 39.48 1a05 s TYR 81 CO 0.19 0.10 1.25 -2.14 -1.11 0.00 0.00 175.55 173.85 1a05 s PRO 82 N -3.10 2.58 0.34 -1.71 0.02 -1.26 -4.82 135.00 127.05 1a05 s PRO 82 Ca 0.52 1.93 0.10 0.00 0.02 0.00 0.00 61.00 63.58 1a05 s PRO 82 Cb -0.10 -1.87 0.87 0.00 0.02 0.00 0.00 34.50 33.42 1a05 s PRO 82 CO 0.21 -1.54 1.79 -1.35 -0.33 0.00 0.00 177.00 175.78 1a05 h PRO 83 N 0.46 0.61 0.00 5.54 0.11 -1.97 0.10 132.00 136.86 1a05 h PRO 83 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1a05 h PRO 83 Cb 1.32 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1a05 h PRO 83 CO 0.53 0.41 0.00 0.00 -0.21 0.00 0.00 178.00 178.72 1a05 h ALA 84 N 1.64 1.00 -0.40 -0.75 0.00 -2.03 -2.93 119.26 115.79 1a05 h ALA 84 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1a05 h ALA 84 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1a05 h ALA 84 CO -0.32 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.56 1a05 n LYS 85 N -2.33 2.62 -2.16 0.00 5.02 0.01 -4.90 118.16 116.41 1a05 n LYS 85 Ca 0.02 -2.11 -0.37 0.00 -2.02 0.00 0.00 58.31 53.84 1a05 n LYS 85 Cb 0.26 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1a05 n LYS 85 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1a05 s ARG 86 N -1.02 3.52 0.29 1.97 1.81 -1.11 -4.38 118.95 120.03 1a05 s ARG 86 Ca 0.28 1.83 0.01 0.00 -1.72 0.00 0.00 55.73 56.13 1a05 s ARG 86 Cb 0.15 -2.28 0.70 0.00 -0.45 0.00 0.00 34.95 33.07 1a05 s ARG 86 CO 0.20 -0.76 1.61 -1.35 -0.68 0.00 0.00 175.30 174.32 1a05 h PRO 87 N 1.71 0.10 0.00 3.54 0.11 -1.89 -0.51 132.00 135.06 1a05 h PRO 87 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1a05 h PRO 87 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1a05 h PRO 87 CO 0.59 0.06 0.00 -0.85 -0.21 0.00 0.00 178.00 177.59 1a05 n GLU 88 N -5.36 0.11 0.02 1.05 0.00 -1.26 -2.20 120.64 113.00 1a05 n GLU 88 Ca 0.21 0.37 -0.03 0.00 0.00 0.00 0.00 57.16 57.71 1a05 n GLU 88 Cb 0.69 -1.71 0.20 0.00 0.00 0.00 0.00 31.44 30.62 1a05 n GLU 88 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1a05 h GLN 89 N 0.00 0.47 -0.71 3.44 1.08 -1.43 -1.54 115.11 116.43 1a05 h GLN 89 Ca 0.00 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 56.95 1a05 h GLN 89 Cb 0.28 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1a05 h GLN 89 CO 0.00 0.70 0.16 0.78 -0.95 0.00 0.00 178.83 179.52 1a05 h GLY 90 N 1.02 1.23 0.99 3.46 0.00 -1.57 0.30 103.07 108.50 1a05 h GLY 90 Ca 0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1a05 h GLY 90 CO 0.05 0.72 0.16 -2.00 0.00 0.00 0.00 176.54 175.48 1a05 h LEU 91 N 1.07 0.79 -0.92 3.11 5.85 -1.55 -1.29 115.31 122.37 1a05 h LEU 91 Ca 0.22 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1a05 h LEU 91 Cb 0.39 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1a05 h LEU 91 CO 0.00 0.79 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.60 1a05 h LEU 92 N 0.75 0.53 -0.67 2.25 3.38 -0.99 -2.17 115.31 118.39 1a05 h LEU 92 Ca 0.17 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1a05 h LEU 92 Cb 0.29 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1a05 h LEU 92 CO -0.00 0.76 -0.66 0.03 0.09 0.00 0.00 178.44 178.65 1a05 h ARG 93 N 0.47 0.00 0.15 1.13 3.08 -0.69 -1.04 114.38 117.49 1a05 h ARG 93 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1a05 h ARG 93 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1a05 h ARG 93 CO 0.05 0.66 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.46 1a05 h LEU 94 N 0.00 -0.17 -0.06 3.04 3.38 -0.99 0.38 115.31 120.88 1a05 h LEU 94 Ca -0.01 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1a05 h LEU 94 Cb 1.17 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 1a05 h LEU 94 CO 0.09 0.26 -0.24 0.03 0.09 0.00 0.00 178.44 178.66 1a05 h ARG 95 N -0.64 -0.33 -0.36 1.13 3.08 -1.39 0.47 114.38 116.35 1a05 h ARG 95 Ca -0.02 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1a05 h ARG 95 Cb 0.48 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1a05 h ARG 95 CO 0.03 -0.22 0.02 -0.22 -1.07 0.00 0.00 179.97 178.52 1a05 h LYS 96 N -0.34 0.62 -0.69 0.04 1.63 -1.22 -0.06 116.57 116.55 1a05 h LYS 96 Ca 0.08 -0.19 -0.05 0.00 -0.85 0.00 0.00 60.65 59.64 1a05 h LYS 96 Cb 0.45 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 1a05 h LYS 96 CO -0.26 0.72 0.24 0.78 -3.45 0.00 0.00 179.45 177.48 1a05 h GLY 97 N 0.44 1.13 0.04 5.01 0.00 -0.01 -2.42 103.07 107.25 1a05 h GLY 97 Ca 0.10 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1a05 h GLY 97 CO 0.01 0.59 -0.15 1.04 0.00 0.00 0.00 176.54 178.04 1a05 n LEU 98 N -4.27 1.14 -3.80 3.11 4.32 0.14 -4.95 117.00 112.68 1a05 n LEU 98 Ca 0.06 -0.32 -0.24 0.00 -0.02 0.00 0.00 56.01 55.48 1a05 n LEU 98 Cb 0.21 -0.08 0.02 0.00 -1.62 0.00 0.00 43.42 41.95 1a05 n LEU 98 CO 0.41 0.20 -0.05 -0.67 -1.22 0.00 0.00 177.39 176.06 1a05 n ASP 99 N -0.38 -1.99 -4.44 -1.43 2.03 -0.19 -4.72 116.55 105.43 1a05 n ASP 99 Ca 0.15 -0.84 -0.43 0.00 0.52 0.00 0.00 54.79 54.19 1a05 n ASP 99 Cb 0.34 -3.85 0.00 0.00 -0.72 0.00 0.00 41.12 36.89 1a05 n ASP 99 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1a05 n LEU 100 N -4.40 5.28 0.15 -2.67 4.77 -0.31 -4.40 117.00 115.42 1a05 n LEU 100 Ca -0.21 -4.26 0.13 0.00 -0.03 0.00 0.00 56.01 51.64 1a05 n LEU 100 Cb 0.64 -1.66 0.35 0.00 -2.33 0.00 0.00 43.42 40.42 1a05 n LEU 100 CO 0.71 0.57 0.87 0.10 -1.33 0.00 0.00 177.39 178.31 1a05 h TYR 101 N 7.15 0.00 -3.48 -1.77 -0.00 -1.78 -3.40 116.97 113.70 1a05 h TYR 101 Ca 0.38 0.00 -0.73 0.00 -0.00 0.00 0.00 58.73 58.38 1a05 h TYR 101 Cb 0.84 0.00 -0.30 0.00 -0.00 0.00 0.00 36.73 37.27 1a05 h TYR 101 CO 1.25 0.00 -0.27 0.00 -0.00 0.00 0.00 178.16 179.14 1a05 s ALA 102 N -3.18 3.61 -0.24 0.10 0.00 0.03 -1.22 121.76 120.86 1a05 s ALA 102 Ca 0.08 -2.91 -0.20 0.00 0.00 0.00 0.00 51.96 48.93 1a05 s ALA 102 Cb 0.10 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 1a05 s ALA 102 CO 0.60 -2.05 0.59 1.21 0.00 0.00 0.00 175.76 176.11 1a05 s ASN 103 N 2.03 6.56 -0.28 0.00 3.84 -0.59 0.23 114.94 126.73 1a05 s ASN 103 Ca 0.11 0.68 -0.05 0.00 0.21 0.00 0.00 52.86 53.81 1a05 s ASN 103 Cb -0.21 -2.32 0.01 0.00 -0.55 0.00 0.00 41.25 38.18 1a05 s ASN 103 CO -0.03 -0.31 0.04 -0.76 -2.79 0.00 0.00 177.10 173.25 1a05 s LEU 104 N 2.25 3.63 -0.41 3.21 1.43 0.33 -1.45 118.68 127.67 1a05 s LEU 104 Ca 0.25 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1a05 s LEU 104 Cb -0.16 -1.82 0.12 0.00 0.03 0.00 0.00 46.19 44.36 1a05 s LEU 104 CO 0.09 -0.16 0.17 -0.13 0.23 0.00 0.00 176.35 176.55 1a05 s ARG 105 N 1.46 1.42 0.13 1.70 0.52 -0.19 -1.54 118.95 122.45 1a05 s ARG 105 Ca 0.02 -1.97 -0.30 0.00 -0.52 0.00 0.00 55.73 52.96 1a05 s ARG 105 Cb -0.17 -2.77 -0.07 0.00 0.52 0.00 0.00 34.95 32.46 1a05 s ARG 105 CO 0.01 -1.06 1.14 -1.25 0.02 0.00 0.00 175.30 174.16 1a05 s PRO 106 N 0.55 4.52 -0.26 3.54 0.04 -1.26 -1.48 135.00 140.64 1a05 s PRO 106 Ca 0.14 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.95 1a05 s PRO 106 Cb -0.22 -3.31 0.07 0.00 0.04 0.00 0.00 34.50 31.08 1a05 s PRO 106 CO -0.07 -0.08 -0.05 0.00 0.04 0.00 0.00 177.00 176.85 1a05 s ALA 107 N 0.33 2.25 0.07 8.56 0.00 0.37 -4.71 121.76 128.62 1a05 s ALA 107 Ca 0.53 -1.66 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 1a05 s ALA 107 Cb -0.29 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.25 1a05 s ALA 107 CO 0.33 -1.30 0.16 -1.14 0.00 0.00 0.00 175.76 173.81 1a05 s GLN 108 N 1.25 0.75 -0.11 0.00 2.00 -1.26 -0.15 119.66 122.15 1a05 s GLN 108 Ca -0.03 -0.87 -0.03 0.00 -2.00 0.00 0.00 55.36 52.43 1a05 s GLN 108 Cb -0.19 0.30 -0.03 0.00 0.80 0.00 0.00 33.01 33.89 1a05 s GLN 108 CO -0.07 -0.22 0.01 0.42 -0.50 0.00 0.00 175.29 174.93 1a05 s ILE 109 N -3.36 4.38 -0.00 -2.34 1.01 -1.24 -4.93 121.20 114.71 1a05 s ILE 109 Ca 0.01 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 1a05 s ILE 109 Cb 0.03 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1a05 s ILE 109 CO -0.08 0.57 1.07 -0.36 0.00 0.00 0.00 174.94 176.14 1a05 s PHE 110 N -0.55 3.53 0.62 3.97 0.40 -1.26 -4.91 117.98 119.77 1a05 s PHE 110 Ca 0.10 1.52 0.26 0.00 -0.60 0.00 0.00 56.93 58.20 1a05 s PHE 110 Cb -0.12 -3.25 1.29 0.00 0.51 0.00 0.00 43.02 41.46 1a05 s PHE 110 CO 0.02 -0.55 1.73 -1.00 0.70 0.00 0.00 175.22 176.12 1a05 h PRO 111 N 6.91 0.00 -0.01 0.24 0.13 -1.98 0.40 132.00 137.69 1a05 h PRO 111 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1a05 h PRO 111 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1a05 h PRO 111 CO 0.80 0.00 -0.42 0.00 -0.23 0.00 0.00 178.00 178.14 1a05 n GLN 112 N -3.25 0.82 -0.09 0.86 0.00 -1.26 -4.04 117.38 110.42 1a05 n GLN 112 Ca 0.06 -0.58 0.03 0.00 0.00 0.00 0.00 57.00 56.51 1a05 n GLN 112 Cb 0.73 -1.49 0.08 0.00 0.00 0.00 0.00 30.24 29.56 1a05 n GLN 112 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1a05 n LEU 113 N -0.58 2.45 -0.09 2.61 4.77 0.14 -4.76 117.00 121.53 1a05 n LEU 113 Ca 0.10 -2.12 0.11 0.00 -0.03 0.00 0.00 56.01 54.07 1a05 n LEU 113 Cb 0.39 -0.14 0.48 0.00 -2.33 0.00 0.00 43.42 41.82 1a05 n LEU 113 CO 0.29 0.61 1.19 0.25 -1.33 0.00 0.00 177.39 178.40 1a05 h LEU 114 N 0.82 0.40 -1.30 2.23 6.46 -1.58 -2.23 115.31 120.12 1a05 h LEU 114 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1a05 h LEU 114 Cb 0.66 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1a05 h LEU 114 CO 0.01 0.25 0.00 -0.78 -0.62 0.00 0.00 178.44 177.30 1a05 h ASP 115 N 0.45 0.00 1.14 1.25 3.58 -1.90 -2.26 116.42 118.68 1a05 h ASP 115 Ca 0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1a05 h ASP 115 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1a05 h ASP 115 CO -0.08 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.28 1a05 n ALA 116 N -1.84 2.09 -2.09 -0.78 0.00 -0.84 -4.83 120.51 112.21 1a05 n ALA 116 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 1a05 n ALA 116 Cb 0.15 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1a05 n ALA 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1a05 s SER 117 N -4.08 6.98 0.53 0.00 0.15 -0.85 -4.36 113.70 112.07 1a05 s SER 117 Ca 0.09 2.28 0.31 0.00 0.70 0.00 0.00 55.95 59.34 1a05 s SER 117 Cb 0.12 -2.60 1.23 0.00 -1.71 0.00 0.00 66.02 63.07 1a05 s SER 117 CO 0.51 -0.48 1.94 -0.65 1.20 0.00 0.00 173.24 175.76 1a05 h PRO 118 N 5.67 0.00 -7.00 5.44 0.11 -1.79 -3.45 132.00 130.98 1a05 h PRO 118 Ca -0.44 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.19 1a05 h PRO 118 Cb 1.21 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.37 1a05 h PRO 118 CO 0.78 0.04 0.11 -0.51 -0.21 0.00 0.00 178.00 178.21 1a05 s LEU 119 N -6.29 3.39 0.29 2.35 1.43 -1.26 -5.03 118.68 113.56 1a05 s LEU 119 Ca 0.01 0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 53.50 1a05 s LEU 119 Cb 0.09 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.66 1a05 s LEU 119 CO 0.57 -0.90 1.42 -0.13 0.23 0.00 0.00 176.35 177.54 1a05 s ARG 120 N -4.86 4.27 0.19 1.70 0.52 -1.26 -4.88 118.95 114.62 1a05 s ARG 120 Ca 0.51 2.32 -0.19 0.00 -0.52 0.00 0.00 55.73 57.86 1a05 s ARG 120 Cb -0.10 -3.08 0.14 0.00 0.52 0.00 0.00 34.95 32.43 1a05 s ARG 120 CO 0.44 -0.38 1.37 -2.30 0.02 0.00 0.00 175.30 174.45 1a05 n PRO 121 N 1.73 -0.26 0.19 3.54 -0.02 -1.26 -1.17 135.00 137.76 1a05 n PRO 121 Ca 0.04 1.36 0.17 0.00 -2.02 0.00 0.00 63.50 63.06 1a05 n PRO 121 Cb 0.40 -2.01 0.82 0.00 -0.02 0.00 0.00 33.50 32.69 1a05 n PRO 121 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1a05 h GLU 122 N 0.00 0.00 0.19 -0.52 9.09 -2.00 -1.53 114.58 119.81 1a05 h GLU 122 Ca 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.66 1a05 h GLU 122 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 1a05 h GLU 122 CO -0.87 0.00 -0.09 -0.07 0.05 0.00 0.00 179.01 178.03 1a05 h LEU 123 N 0.00 -0.22 -1.11 3.06 3.38 -1.51 -3.35 115.31 115.55 1a05 h LEU 123 Ca 0.10 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1a05 h LEU 123 Cb 0.55 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1a05 h LEU 123 CO -0.00 0.32 0.00 1.33 0.09 0.00 0.00 178.44 180.18 1a05 n VAL 124 N -4.94 0.43 -0.36 1.22 0.24 -1.12 -4.38 118.33 109.42 1a05 n VAL 124 Ca -0.06 -0.39 0.10 0.00 -2.04 0.00 0.00 64.34 61.94 1a05 n VAL 124 Cb 0.22 0.15 0.28 0.00 -1.47 0.00 0.00 33.84 33.03 1a05 n VAL 124 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1a05 h ARG 125 N 1.67 0.87 0.00 7.34 3.08 -1.42 -3.12 114.38 122.79 1a05 h ARG 125 Ca 0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1a05 h ARG 125 Cb 0.43 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 1a05 h ARG 125 CO 0.01 0.57 -0.47 -0.25 -1.07 0.00 0.00 179.97 178.77 1a05 n ASP 126 N -4.68 1.63 -4.62 7.04 8.00 -1.26 -4.97 116.55 117.69 1a05 n ASP 126 Ca 0.21 -3.28 -0.43 0.00 0.71 0.00 0.00 54.79 52.00 1a05 n ASP 126 Cb 0.45 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 1a05 n ASP 126 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1a05 s VAL 127 N -2.41 3.21 -0.33 2.53 0.11 -1.18 -4.86 120.40 117.46 1a05 s VAL 127 Ca 0.33 0.23 -0.01 0.00 -2.93 0.00 0.00 61.98 59.60 1a05 s VAL 127 Cb 0.33 -3.24 0.12 0.00 -1.53 0.00 0.00 36.38 32.06 1a05 s VAL 127 CO -0.06 -0.12 0.17 -0.62 -3.33 0.00 0.00 175.10 171.15 1a05 s ASP 128 N 6.40 3.33 0.09 3.54 -1.08 -1.24 -3.71 116.67 124.00 1a05 s ASP 128 Ca 0.89 -1.87 0.08 0.00 -0.52 0.00 0.00 52.55 51.14 1a05 s ASP 128 Cb -0.32 -0.49 -0.03 0.00 -1.46 0.00 0.00 42.92 40.62 1a05 s ASP 128 CO 0.35 -0.36 -0.21 -0.63 0.52 0.00 0.00 175.17 174.84 1a05 s ILE 129 N 1.41 1.76 -0.25 4.11 1.01 0.79 -4.51 121.20 125.52 1a05 s ILE 129 Ca 0.14 -1.50 0.01 0.00 0.00 0.00 0.00 60.65 59.31 1a05 s ILE 129 Cb -0.20 -1.58 0.06 0.00 0.01 0.00 0.00 42.46 40.75 1a05 s ILE 129 CO -0.14 0.01 -0.06 -0.22 0.00 0.00 0.00 174.94 174.53 1a05 s LEU 130 N -1.78 2.88 -0.25 2.97 2.96 0.04 0.14 118.68 125.65 1a05 s LEU 130 Ca 0.07 -1.29 -0.24 0.00 -0.22 0.00 0.00 54.13 52.45 1a05 s LEU 130 Cb -0.10 -1.28 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 1a05 s LEU 130 CO 0.04 -0.24 0.78 -0.69 -1.32 0.00 0.00 176.35 174.92 1a05 s VAL 131 N 1.31 4.87 -0.44 1.68 1.01 -0.55 -0.99 120.40 127.28 1a05 s VAL 131 Ca -0.05 1.46 -0.08 0.00 0.00 0.00 0.00 61.98 63.31 1a05 s VAL 131 Cb -0.19 -4.07 0.11 0.00 0.00 0.00 0.00 36.38 32.22 1a05 s VAL 131 CO -0.07 -0.05 0.29 -0.69 0.00 0.00 0.00 175.10 174.58 1a05 s VAL 132 N 2.77 3.98 -0.16 2.92 1.01 -0.17 -1.02 120.40 129.72 1a05 s VAL 132 Ca 0.33 -1.76 -0.06 0.00 0.00 0.00 0.00 61.98 60.49 1a05 s VAL 132 Cb -0.15 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1a05 s VAL 132 CO 0.08 -0.68 0.05 -0.60 0.00 0.00 0.00 175.10 173.94 1a05 s ARG 133 N 1.32 3.74 0.14 2.72 3.52 -0.53 -2.21 118.95 127.65 1a05 s ARG 133 Ca 0.05 -0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.01 1a05 s ARG 133 Cb -0.25 -3.12 -0.08 0.00 -1.56 0.00 0.00 34.95 29.95 1a05 s ARG 133 CO -0.01 0.40 1.28 -2.00 -0.81 0.00 0.00 175.30 174.16 1a05 s GLU 134 N 0.01 4.41 -0.01 5.12 -6.30 -0.57 -1.54 118.70 119.82 1a05 s GLU 134 Ca 0.05 1.95 0.08 0.00 -2.50 0.00 0.00 54.97 54.55 1a05 s GLU 134 Cb -0.12 -3.25 -0.11 0.00 0.00 0.00 0.00 34.13 30.65 1a05 s GLU 134 CO 0.01 -0.26 0.20 -0.11 0.02 0.00 0.00 175.26 175.12 1a05 n LEU 135 N 3.22 0.08 -0.37 2.70 7.94 -0.35 -2.28 117.00 127.93 1a05 n LEU 135 Ca 0.08 -0.11 0.06 0.00 -1.11 0.00 0.00 56.01 54.93 1a05 n LEU 135 Cb 0.44 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.40 1a05 n LEU 135 CO 0.57 0.02 0.30 0.35 -1.11 0.00 0.00 177.39 177.52 1a05 n THR 136 N -1.63 0.00 -1.37 1.96 -2.24 -1.26 -4.86 114.28 104.88 1a05 n THR 136 Ca -0.01 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1a05 n THR 136 Cb 0.18 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1a05 n THR 136 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a05 n GLY 137 N 0.95 5.10 7.00 3.38 0.00 -1.26 -4.78 105.19 115.58 1a05 n GLY 137 Ca 0.06 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1a05 n GLY 137 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a05 n ASP 138 N 0.00 -2.21 0.33 1.61 -0.08 -1.10 -3.80 116.55 111.30 1a05 n ASP 138 Ca 0.00 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.49 1a05 n ASP 138 Cb 0.00 0.00 1.12 0.00 2.34 0.00 0.00 41.12 44.58 1a05 n ASP 138 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1a05 h ILE 139 N 0.00 0.07 -0.81 5.18 2.10 -1.80 -0.65 117.51 121.60 1a05 h ILE 139 Ca 0.00 -0.08 -0.01 0.00 1.08 0.00 0.00 64.86 65.86 1a05 h ILE 139 Cb 0.00 1.07 -0.04 0.00 -1.09 0.00 0.00 36.82 36.76 1a05 h ILE 139 CO 0.00 0.00 0.48 1.88 -1.08 0.00 0.00 178.15 179.43 1a05 h TYR 140 N 0.00 1.07 0.00 2.19 -1.99 -1.84 -3.21 116.97 113.20 1a05 h TYR 140 Ca -0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1a05 h TYR 140 Cb 0.07 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 38.45 1a05 h TYR 140 CO 0.00 0.72 0.00 1.19 -0.00 0.00 0.00 178.16 180.07 1a05 n PHE 141 N -4.37 0.00 -2.00 4.88 3.72 -0.94 -5.08 117.46 113.67 1a05 n PHE 141 Ca 0.09 -0.22 -0.38 0.00 -0.05 0.00 0.00 57.45 56.89 1a05 n PHE 141 Cb 0.07 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.60 1a05 n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1a05 s GLY 142 N -0.43 2.85 0.05 1.37 0.00 -0.30 -4.98 107.32 105.88 1a05 s GLY 142 Ca 0.00 1.18 0.06 0.00 0.00 0.00 0.00 44.72 45.96 1a05 s GLY 142 CO 0.00 1.69 -0.18 1.20 0.00 0.00 0.00 173.10 175.81 1a05 s GLN 143 N -2.71 1.16 0.85 2.90 -1.52 -1.26 -4.28 119.66 114.79 1a05 s GLN 143 Ca 0.66 -0.89 -0.12 0.00 -1.95 0.00 0.00 55.36 53.06 1a05 s GLN 143 Cb -0.36 -1.25 0.10 0.00 -0.22 0.00 0.00 33.01 31.29 1a05 s GLN 143 CO 0.44 0.31 1.17 -1.25 -0.25 0.00 0.00 175.29 175.70 1a05 s PRO 144 N -1.26 1.66 0.21 2.91 0.04 -1.26 -4.83 135.00 132.46 1a05 s PRO 144 Ca 0.05 0.16 -0.23 0.00 0.04 0.00 0.00 61.00 61.02 1a05 s PRO 144 Cb -0.09 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.59 1a05 s PRO 144 CO 0.02 -1.82 0.72 -0.98 0.04 0.00 0.00 177.00 174.98 1a05 s ARG 145 N -5.48 1.49 0.00 4.56 1.70 -1.26 -3.05 118.95 116.91 1a05 s ARG 145 Ca 0.63 -0.73 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 1a05 s ARG 145 Cb -0.12 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 1a05 s ARG 145 CO 0.51 -0.67 0.00 0.41 -1.08 0.00 0.00 175.30 174.46 1a05 n GLY 146 N -0.42 0.87 3.45 3.88 0.00 -0.28 -4.97 105.19 107.72 1a05 n GLY 146 Ca -0.09 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 1a05 n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a05 s LEU 147 N 0.00 2.71 0.11 0.99 1.02 -1.26 -1.41 118.68 120.84 1a05 s LEU 147 Ca 0.00 -0.23 -0.08 0.00 0.02 0.00 0.00 54.13 53.84 1a05 s LEU 147 Cb 0.00 -1.56 -0.01 0.00 0.02 0.00 0.00 46.19 44.64 1a05 s LEU 147 CO 0.00 0.30 0.19 -1.83 0.02 0.00 0.00 176.35 175.03 1a05 s GLU 148 N -0.46 0.93 -0.31 1.70 -1.05 0.54 -4.97 118.70 115.08 1a05 s GLU 148 Ca 0.06 -1.08 -0.03 0.00 -0.15 0.00 0.00 54.97 53.77 1a05 s GLU 148 Cb -0.12 0.34 0.05 0.00 -0.44 0.00 0.00 34.13 33.95 1a05 s GLU 148 CO 0.02 -0.30 0.02 0.08 0.95 0.00 0.00 175.26 176.02 1a05 s VAL 149 N -3.91 3.13 -0.27 1.83 1.01 -1.26 0.12 120.40 121.05 1a05 s VAL 149 Ca 0.10 -1.34 -0.05 0.00 0.00 0.00 0.00 61.98 60.69 1a05 s VAL 149 Cb 0.05 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1a05 s VAL 149 CO -0.07 -0.12 0.03 -0.63 0.00 0.00 0.00 175.10 174.32 1a05 s ILE 150 N 1.28 3.72 -1.39 2.22 -1.09 0.10 -4.64 121.20 121.41 1a05 s ILE 150 Ca -0.05 -0.63 -0.03 0.00 -2.23 0.00 0.00 60.65 57.71 1a05 s ILE 150 Cb -0.20 -2.84 0.02 0.00 -1.58 0.00 0.00 42.46 37.86 1a05 s ILE 150 CO -0.00 0.21 0.68 0.47 -1.23 0.00 0.00 174.94 175.07 1a05 n ASP 151 N 4.83 -1.70 0.00 3.58 8.00 -1.26 -1.08 116.55 128.92 1a05 n ASP 151 Ca -0.16 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.47 1a05 n ASP 151 Cb 0.49 -3.72 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 1a05 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a05 n GLY 152 N -1.69 0.42 3.19 0.44 0.00 -1.26 -5.00 105.19 101.28 1a05 n GLY 152 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1a05 n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a05 s LYS 153 N -0.58 3.03 0.16 1.61 -0.14 -0.24 -5.10 119.74 118.48 1a05 s LYS 153 Ca 0.00 -0.86 -0.31 0.00 -1.36 0.00 0.00 55.97 53.44 1a05 s LYS 153 Cb 0.00 -2.40 -0.09 0.00 -1.68 0.00 0.00 37.83 33.66 1a05 s LYS 153 CO 0.00 0.04 1.46 1.03 -0.76 0.00 0.00 175.35 177.12 1a05 s ARG 154 N 0.67 4.28 -0.10 1.68 0.52 -1.26 -0.72 118.95 124.03 1a05 s ARG 154 Ca -0.11 2.22 0.00 0.00 -0.52 0.00 0.00 55.73 57.33 1a05 s ARG 154 Cb -0.16 -3.18 0.02 0.00 0.52 0.00 0.00 34.95 32.15 1a05 s ARG 154 CO 0.01 -0.49 -0.07 0.50 0.02 0.00 0.00 175.30 175.27 1a05 s ARG 155 N 0.77 1.41 -0.05 3.54 3.52 0.32 -4.93 118.95 123.53 1a05 s ARG 155 Ca 0.65 -0.23 -0.01 0.00 -0.13 0.00 0.00 55.73 56.01 1a05 s ARG 155 Cb -0.40 -1.44 -0.04 0.00 -1.56 0.00 0.00 34.95 31.51 1a05 s ARG 155 CO 0.33 -0.21 0.03 0.20 -0.81 0.00 0.00 175.30 174.85 1a05 s GLY 156 N 1.50 1.93 -0.01 8.12 0.00 -1.26 -0.34 107.32 117.26 1a05 s GLY 156 Ca 0.00 -0.85 -0.19 0.00 0.00 0.00 0.00 44.72 43.69 1a05 s GLY 156 CO -0.05 -0.66 0.40 -0.11 0.00 0.00 0.00 173.10 172.67 1a05 s PHE 157 N -1.03 -0.29 -0.02 1.90 -0.71 -0.50 -5.02 117.98 112.32 1a05 s PHE 157 Ca 0.18 0.42 -0.07 0.00 -1.04 0.00 0.00 56.93 56.42 1a05 s PHE 157 Cb -0.12 0.18 0.01 0.00 -1.21 0.00 0.00 43.02 41.88 1a05 s PHE 157 CO 0.08 -0.47 0.14 -0.80 -1.34 0.00 0.00 175.22 172.83 1a05 s ASN 158 N -1.44 -0.03 -0.24 1.98 -0.87 -1.26 -1.12 114.94 111.96 1a05 s ASN 158 Ca -0.11 -0.05 -0.07 0.00 -1.57 0.00 0.00 52.86 51.06 1a05 s ASN 158 Cb -0.03 0.24 -0.02 0.00 -0.02 0.00 0.00 41.25 41.41 1a05 s ASN 158 CO 0.04 -0.27 0.05 -0.89 -2.57 0.00 0.00 177.10 173.45 1a05 s THR 159 N -0.94 4.11 -0.19 1.60 2.01 -1.17 -5.00 115.64 116.06 1a05 s THR 159 Ca -0.10 -0.25 -0.18 0.00 0.31 0.00 0.00 61.69 61.47 1a05 s THR 159 Cb -0.06 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1a05 s THR 159 CO 0.01 0.35 0.51 -0.32 -0.69 0.00 0.00 174.62 174.48 1a05 s MET 160 N 1.59 4.20 -0.01 4.92 1.75 -1.26 -3.60 119.30 126.88 1a05 s MET 160 Ca 0.06 0.40 -0.20 0.00 -1.25 0.00 0.00 55.69 54.71 1a05 s MET 160 Cb -0.15 -3.55 0.04 0.00 2.84 0.00 0.00 34.83 34.01 1a05 s MET 160 CO 0.02 -0.12 0.43 0.54 -0.65 0.00 0.00 175.02 175.24 1a05 s VAL 161 N 1.53 0.04 -0.24 10.11 0.11 -1.26 -4.88 120.40 125.81 1a05 s VAL 161 Ca 0.24 -0.35 -0.19 0.00 -2.93 0.00 0.00 61.98 58.75 1a05 s VAL 161 Cb -0.15 -0.78 0.06 0.00 -1.53 0.00 0.00 36.38 33.98 1a05 s VAL 161 CO 0.10 -0.19 0.62 -0.31 -3.33 0.00 0.00 175.10 171.98 1a05 s TYR 162 N -1.50 -0.76 0.36 1.54 2.02 -1.26 -2.72 117.35 115.03 1a05 s TYR 162 Ca -0.11 1.74 0.08 0.00 -0.37 0.00 0.00 57.07 58.40 1a05 s TYR 162 Cb -0.03 0.33 -0.02 0.00 -0.40 0.00 0.00 41.96 41.83 1a05 s TYR 162 CO 0.05 -0.38 0.32 0.16 -1.57 0.00 0.00 175.55 174.13 1a05 s ASP 163 N 0.72 5.21 0.60 2.29 1.47 -1.26 -5.02 116.67 120.68 1a05 s ASP 163 Ca -0.03 -0.58 0.30 0.00 1.18 0.00 0.00 52.55 53.42 1a05 s ASP 163 Cb -0.05 -0.84 1.78 0.00 -0.34 0.00 0.00 42.92 43.47 1a05 s ASP 163 CO -0.05 -0.45 2.19 1.05 0.68 0.00 0.00 175.17 178.59 1a05 h GLU 164 N 1.18 0.00 0.00 2.11 4.11 -2.00 -2.66 114.58 117.33 1a05 h GLU 164 Ca -0.44 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 58.75 1a05 h GLU 164 Cb 1.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.52 1a05 h GLU 164 CO 0.58 0.00 -1.00 -0.44 0.07 0.00 0.00 179.01 178.22 1a05 h ASP 165 N 0.00 0.71 -0.54 3.06 3.32 -1.99 -1.85 116.42 119.13 1a05 h ASP 165 Ca 0.04 -0.57 -0.10 0.00 0.02 0.00 0.00 57.03 56.42 1a05 h ASP 165 Cb 0.23 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1a05 h ASP 165 CO -0.00 1.38 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.53 1a05 h GLU 166 N 0.31 0.98 -0.41 3.56 5.08 -1.89 -2.53 114.58 119.68 1a05 h GLU 166 Ca -0.11 -0.33 -0.14 0.00 -1.00 0.00 0.00 59.36 57.79 1a05 h GLU 166 Cb 1.64 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 1a05 h GLU 166 CO 0.18 1.00 -0.28 0.82 -1.00 0.00 0.00 179.01 179.74 1a05 h ILE 167 N 0.86 1.28 -0.47 3.13 2.04 -1.56 -3.17 117.51 119.62 1a05 h ILE 167 Ca 0.15 -1.44 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 1a05 h ILE 167 Cb 0.58 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1a05 h ILE 167 CO 0.04 0.48 0.15 -0.09 0.00 0.00 0.00 178.15 178.73 1a05 h ARG 168 N 0.73 0.73 -0.47 2.37 2.43 -1.24 -2.13 114.38 116.80 1a05 h ARG 168 Ca 0.08 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 1a05 h ARG 168 Cb 0.86 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1a05 h ARG 168 CO 0.08 0.69 0.03 0.07 -1.51 0.00 0.00 179.97 179.33 1a05 h ARG 169 N 0.62 0.81 -0.04 0.20 0.11 -1.50 -1.75 114.38 112.83 1a05 h ARG 169 Ca 0.15 -0.24 -0.10 0.00 0.10 0.00 0.00 59.98 59.89 1a05 h ARG 169 Cb 0.27 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 1a05 h ARG 169 CO -0.01 0.84 -0.43 0.97 0.10 0.00 0.00 179.97 181.45 1a05 h ILE 170 N 0.67 1.32 -0.44 0.08 6.09 -1.55 -2.77 117.51 120.91 1a05 h ILE 170 Ca 0.14 -1.51 -0.07 0.00 -1.37 0.00 0.00 64.86 62.04 1a05 h ILE 170 Cb 0.46 1.77 -0.02 0.00 0.47 0.00 0.00 36.82 39.50 1a05 h ILE 170 CO 0.02 0.44 -0.01 0.00 -3.07 0.00 0.00 178.15 175.53 1a05 h ALA 171 N 1.50 0.59 -0.83 0.18 0.00 -1.12 -1.74 119.26 117.84 1a05 h ALA 171 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1a05 h ALA 171 Cb 0.79 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1a05 h ALA 171 CO 0.06 0.39 0.53 0.45 0.00 0.00 0.00 179.25 180.68 1a05 h HIS 172 N 0.61 1.07 -0.20 0.00 3.86 -1.09 0.14 115.15 119.54 1a05 h HIS 172 Ca 0.12 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1a05 h HIS 172 Cb 0.50 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1a05 h HIS 172 CO 0.04 0.70 0.12 0.28 0.86 0.00 0.00 177.93 179.93 1a05 h VAL 173 N 1.14 1.08 -0.47 2.45 2.07 -1.26 -0.30 116.25 120.97 1a05 h VAL 173 Ca 0.30 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.54 1a05 h VAL 173 Cb -0.09 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1a05 h VAL 173 CO -0.06 0.08 -0.06 0.00 0.02 0.00 0.00 177.57 177.55 1a05 h ALA 174 N 1.03 1.02 -0.20 1.67 0.00 -0.82 -0.79 119.26 121.17 1a05 h ALA 174 Ca 0.07 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 1a05 h ALA 174 Cb 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1a05 h ALA 174 CO -0.01 0.60 -0.61 0.74 0.00 0.00 0.00 179.25 179.96 1a05 h PHE 175 N 0.74 0.87 -0.21 0.00 0.04 -0.57 -1.28 116.94 116.54 1a05 h PHE 175 Ca 0.13 -0.33 -0.12 0.00 2.80 0.00 0.00 57.97 60.46 1a05 h PHE 175 Cb 0.53 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1a05 h PHE 175 CO 0.03 1.12 -0.37 0.00 -0.60 0.00 0.00 178.31 178.49 1a05 h ARG 176 N 0.51 0.45 -0.46 1.51 3.08 -0.94 -2.08 114.38 116.45 1a05 h ARG 176 Ca -0.00 -0.21 -0.14 0.00 0.07 0.00 0.00 59.98 59.70 1a05 h ARG 176 Cb 1.19 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1a05 h ARG 176 CO 0.12 0.76 -0.25 0.00 -1.07 0.00 0.00 179.97 179.53 1a05 h ALA 177 N 1.23 0.68 -0.56 0.04 0.00 -1.03 -2.87 119.26 116.75 1a05 h ALA 177 Ca 0.04 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1a05 h ALA 177 Cb 0.82 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1a05 h ALA 177 CO 0.07 0.68 0.14 0.00 0.00 0.00 0.00 179.25 180.13 1a05 h ALA 178 N 0.87 0.74 -0.78 0.00 0.00 -1.06 -2.72 119.26 116.31 1a05 h ALA 178 Ca 0.10 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1a05 h ALA 178 Cb 0.83 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1a05 h ALA 178 CO 0.07 0.44 0.52 1.96 0.00 0.00 0.00 179.25 182.24 1a05 h GLN 179 N 0.80 0.92 -0.43 0.00 4.20 -1.29 0.18 115.11 119.50 1a05 h GLN 179 Ca 0.18 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1a05 h GLN 179 Cb 0.34 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1a05 h GLN 179 CO 0.00 0.61 0.00 0.41 -0.67 0.00 0.00 178.83 179.18 1a05 n GLY 180 N -1.42 0.87 0.00 3.46 0.00 -1.05 -4.66 105.19 102.38 1a05 n GLY 180 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1a05 n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a05 n ARG 181 N 0.43 0.00 -0.29 1.61 1.74 -0.51 -5.02 116.66 114.62 1a05 n ARG 181 Ca 0.11 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.28 1a05 n ARG 181 Cb 0.36 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.04 1a05 n ARG 181 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1a05 n ARG 182 N 0.00 2.87 -2.66 5.56 1.74 -1.20 -4.98 116.66 118.00 1a05 n ARG 182 Ca 0.00 -2.38 -0.19 0.00 -0.77 0.00 0.00 57.85 54.51 1a05 n ARG 182 Cb 0.00 -1.45 0.01 0.00 -1.02 0.00 0.00 32.46 30.00 1a05 n ARG 182 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1a05 n LYS 183 N 0.99 -2.99 -4.21 5.56 5.02 0.53 -4.97 118.16 118.09 1a05 n LYS 183 Ca 0.18 0.82 -0.29 0.00 -2.02 0.00 0.00 58.31 57.01 1a05 n LYS 183 Cb 0.55 -5.37 -0.17 0.00 -0.02 0.00 0.00 35.03 30.02 1a05 n LYS 183 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1a05 s GLN 184 N -5.25 2.11 -0.07 1.97 -0.21 -1.26 -0.37 119.66 116.58 1a05 s GLN 184 Ca 0.14 -0.50 0.04 0.00 0.02 0.00 0.00 55.36 55.06 1a05 s GLN 184 Cb -0.06 -1.89 0.00 0.00 1.00 0.00 0.00 33.01 32.05 1a05 s GLN 184 CO 0.18 -0.16 -0.19 -1.17 -2.12 0.00 0.00 175.29 171.83 1a05 s LEU 185 N 1.27 1.92 -0.26 2.90 2.96 -0.27 -1.75 118.68 125.46 1a05 s LEU 185 Ca -0.01 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1a05 s LEU 185 Cb -0.14 -1.12 0.05 0.00 0.50 0.00 0.00 46.19 45.49 1a05 s LEU 185 CO -0.06 0.14 -0.09 0.00 -1.32 0.00 0.00 176.35 175.02 1a05 s SER 187 N 1.15 6.64 -0.16 0.00 0.15 0.48 0.03 113.70 121.99 1a05 s SER 187 Ca -0.07 0.78 -0.07 0.00 0.70 0.00 0.00 55.95 57.29 1a05 s SER 187 Cb -0.19 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1a05 s SER 187 CO -0.05 -0.25 0.09 -0.69 1.20 0.00 0.00 173.24 173.54 1a05 s VAL 188 N 1.87 5.10 0.00 4.45 1.01 0.13 -1.56 120.40 131.39 1a05 s VAL 188 Ca 0.27 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1a05 s VAL 188 Cb -0.16 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1a05 s VAL 188 CO 0.10 0.51 0.00 -0.90 0.00 0.00 0.00 175.10 174.81 1a05 n ASP 189 N 2.98 0.00 -2.71 3.32 5.68 -0.36 -4.50 116.55 120.96 1a05 n ASP 189 Ca -0.17 -0.76 -0.06 0.00 -0.50 0.00 0.00 54.79 53.30 1a05 n ASP 189 Cb 0.53 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.57 1a05 n ASP 189 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1a05 n LYS 190 N 0.00 1.31 0.10 0.11 3.00 -1.26 0.52 118.16 121.94 1a05 n LYS 190 Ca 0.00 -2.96 0.20 0.00 -0.00 0.00 0.00 58.31 55.55 1a05 n LYS 190 Cb 0.00 -1.04 0.71 0.00 0.00 0.00 0.00 35.03 34.70 1a05 n LYS 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a05 h ALA 191 N 2.61 2.10 -0.11 3.14 0.00 -1.77 -0.20 119.26 125.03 1a05 h ALA 191 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a05 h ALA 191 Cb 1.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1a05 h ALA 191 CO 0.29 -0.74 0.00 0.27 0.00 0.00 0.00 179.25 179.07 1a05 n ASN 192 N -3.51 1.30 0.01 0.00 6.94 -1.26 -4.42 115.26 114.32 1a05 n ASN 192 Ca 0.08 -1.60 0.00 0.00 -0.02 0.00 0.00 54.58 53.03 1a05 n ASN 192 Cb 0.70 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 38.05 1a05 n ASN 192 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1a05 n VAL 193 N 0.07 0.03 -3.29 3.53 0.31 -0.51 -5.05 118.33 113.41 1a05 n VAL 193 Ca 0.16 0.01 -0.44 0.00 -0.01 0.00 0.00 64.34 64.07 1a05 n VAL 193 Cb 0.28 -0.83 -0.08 0.00 -0.91 0.00 0.00 33.84 32.31 1a05 n VAL 193 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1a05 s LEU 194 N -5.43 5.09 0.29 7.52 1.02 -0.20 -4.96 118.68 122.00 1a05 s LEU 194 Ca 0.00 -0.91 0.03 0.00 0.02 0.00 0.00 54.13 53.27 1a05 s LEU 194 Cb 0.00 -2.35 0.63 0.00 0.02 0.00 0.00 46.19 44.49 1a05 s LEU 194 CO 0.00 -0.69 1.80 -0.33 0.02 0.00 0.00 176.35 177.15 1a05 h GLU 195 N 8.81 0.84 -0.55 1.70 3.07 -1.85 -0.71 114.58 125.89 1a05 h GLU 195 Ca -0.27 -0.05 0.10 0.00 -0.50 0.00 0.00 59.36 58.64 1a05 h GLU 195 Cb 1.11 -0.19 -0.08 0.00 -0.84 0.00 0.00 28.75 28.75 1a05 h GLU 195 CO 0.87 0.56 0.10 1.15 -1.40 0.00 0.00 179.01 180.28 1a05 h THR 196 N 0.86 0.66 0.00 1.13 2.02 -1.93 -0.13 112.91 115.53 1a05 h THR 196 Ca 0.53 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.63 1a05 h THR 196 Cb 0.68 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1a05 h THR 196 CO -0.32 0.04 0.00 0.35 0.37 0.00 0.00 175.52 175.96 1a05 n THR 197 N -5.14 0.44 0.06 3.16 -2.24 -0.31 -2.10 114.28 108.16 1a05 n THR 197 Ca 0.07 0.11 -0.16 0.00 -2.27 0.00 0.00 64.05 61.80 1a05 n THR 197 Cb 0.29 -0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 67.65 1a05 n THR 197 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1a05 h ARG 198 N 0.00 0.24 -0.43 -0.78 2.43 -0.61 -2.50 114.38 112.74 1a05 h ARG 198 Ca 0.00 -0.41 -0.09 0.00 -0.81 0.00 0.00 59.98 58.67 1a05 h ARG 198 Cb 0.37 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1a05 h ARG 198 CO 0.00 1.10 -0.11 1.25 -1.51 0.00 0.00 179.97 180.70 1a05 h LEU 199 N 0.07 0.75 -0.19 3.80 5.85 -1.00 -1.39 115.31 123.19 1a05 h LEU 199 Ca -0.24 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.29 1a05 h LEU 199 Cb 2.01 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.81 1a05 h LEU 199 CO 0.16 0.89 -0.01 -0.25 -0.34 0.00 0.00 178.44 178.89 1a05 h TRP 200 N 0.69 -0.03 -0.83 1.25 2.91 -1.41 0.17 115.95 118.70 1a05 h TRP 200 Ca 0.12 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.14 1a05 h TRP 200 Cb 0.58 0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 29.23 1a05 h TRP 200 CO 0.03 -0.04 0.48 -0.09 -1.03 0.00 0.00 178.44 177.79 1a05 h ARG 201 N 0.05 1.15 -0.42 2.65 2.43 -1.11 -2.21 114.38 116.91 1a05 h ARG 201 Ca 0.09 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1a05 h ARG 201 Cb 0.12 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1a05 h ARG 201 CO -0.16 0.83 0.03 0.93 -1.51 0.00 0.00 179.97 180.09 1a05 h GLU 202 N 1.15 0.71 -0.25 0.20 5.08 -0.56 -2.28 114.58 118.63 1a05 h GLU 202 Ca 0.30 -0.21 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1a05 h GLU 202 Cb -0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1a05 h GLU 202 CO -0.05 0.77 -0.48 0.28 -1.00 0.00 0.00 179.01 178.53 1a05 h VAL 203 N 0.56 1.30 -0.32 3.13 2.07 -0.90 -2.53 116.25 119.55 1a05 h VAL 203 Ca 0.12 -1.69 -0.08 0.00 0.82 0.00 0.00 66.70 65.88 1a05 h VAL 203 Cb 0.43 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1a05 h VAL 203 CO 0.01 0.54 -0.12 0.58 0.02 0.00 0.00 177.57 178.60 1a05 h VAL 204 N 0.54 1.24 -0.14 2.57 2.07 -1.38 -1.65 116.25 119.50 1a05 h VAL 204 Ca 0.03 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 1a05 h VAL 204 Cb 1.04 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1a05 h VAL 204 CO 0.10 0.35 -0.34 0.74 0.02 0.00 0.00 177.57 178.44 1a05 h THR 205 N 0.51 1.28 -0.15 2.57 2.02 -1.30 -1.30 112.91 116.54 1a05 h THR 205 Ca 0.09 -1.35 -0.11 0.00 0.77 0.00 0.00 66.41 65.81 1a05 h THR 205 Cb 0.52 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1a05 h THR 205 CO 0.03 0.41 -0.35 -0.33 0.37 0.00 0.00 175.52 175.65 1a05 h GLU 206 N 0.24 0.51 0.00 6.66 5.08 -0.97 -3.10 114.58 122.99 1a05 h GLU 206 Ca 0.03 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 1a05 h GLU 206 Cb 0.72 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1a05 h GLU 206 CO 0.05 0.95 -0.13 0.28 -1.00 0.00 0.00 179.01 179.17 1a05 h VAL 207 N 0.14 0.45 0.00 3.13 2.07 -1.18 -2.71 116.25 118.15 1a05 h VAL 207 Ca -0.00 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1a05 h VAL 207 Cb 0.95 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1a05 h VAL 207 CO 0.08 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1a05 h ALA 208 N 1.87 1.00 0.00 1.67 0.00 -1.15 -1.10 119.26 121.55 1a05 h ALA 208 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1a05 h ALA 208 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1a05 h ALA 208 CO 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.02 1a05 h ARG 209 N 0.00 0.00 0.00 0.00 3.08 -1.60 -2.64 114.38 113.22 1a05 h ARG 209 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1a05 h ARG 209 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1a05 h ARG 209 CO 0.00 0.25 0.00 -0.25 -1.07 0.00 0.00 179.97 178.90 1a05 n ASP 210 N -3.54 0.37 -3.32 7.04 9.92 -0.42 -4.18 116.55 122.41 1a05 n ASP 210 Ca -0.01 0.54 -0.26 0.00 -0.53 0.00 0.00 54.79 54.53 1a05 n ASP 210 Cb 0.40 -0.63 -0.08 0.00 -0.64 0.00 0.00 41.12 40.17 1a05 n ASP 210 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1a05 n TYR 211 N -1.84 1.67 0.30 1.24 4.02 -0.99 -4.93 117.16 116.63 1a05 n TYR 211 Ca 0.06 -3.86 0.19 0.00 -0.01 0.00 0.00 57.90 54.28 1a05 n TYR 211 Cb 0.38 -0.45 0.99 0.00 -0.02 0.00 0.00 39.34 40.23 1a05 n TYR 211 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1a05 h PRO 212 N 4.14 0.00 -0.00 -0.72 0.13 -1.73 -2.05 132.00 131.77 1a05 h PRO 212 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1a05 h PRO 212 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1a05 h PRO 212 CO 0.65 0.00 -0.16 -0.40 -0.23 0.00 0.00 178.00 177.86 1a05 n ASP 213 N -2.89 0.34 -4.65 1.44 5.75 -1.26 -4.84 116.55 110.44 1a05 n ASP 213 Ca -0.02 -0.20 -0.34 0.00 -0.01 0.00 0.00 54.79 54.22 1a05 n ASP 213 Cb 0.11 -0.13 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 1a05 n ASP 213 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1a05 s VAL 214 N -2.73 4.07 -0.44 2.12 -7.23 -0.77 -4.87 120.40 110.54 1a05 s VAL 214 Ca 0.21 -0.42 -0.21 0.00 -1.81 0.00 0.00 61.98 59.75 1a05 s VAL 214 Cb 0.19 -2.72 0.02 0.00 0.56 0.00 0.00 36.38 34.43 1a05 s VAL 214 CO 0.54 0.54 0.66 -0.60 -0.31 0.00 0.00 175.10 175.93 1a05 s ARG 215 N -1.05 3.30 0.00 4.82 3.52 0.50 -4.96 118.95 125.09 1a05 s ARG 215 Ca 0.15 -0.34 -0.17 0.00 -0.13 0.00 0.00 55.73 55.24 1a05 s ARG 215 Cb -0.11 -3.95 -0.06 0.00 -1.56 0.00 0.00 34.95 29.27 1a05 s ARG 215 CO 0.04 -1.02 0.46 -1.17 -0.81 0.00 0.00 175.30 172.80 1a05 s LEU 216 N 2.88 4.46 0.01 -0.88 2.96 -1.26 -1.11 118.68 125.74 1a05 s LEU 216 Ca 0.23 1.03 -0.00 0.00 -0.22 0.00 0.00 54.13 55.17 1a05 s LEU 216 Cb -0.14 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.85 1a05 s LEU 216 CO 0.19 0.27 -0.02 -0.44 -1.32 0.00 0.00 176.35 175.03 1a05 s SER 217 N -0.85 0.17 -0.00 3.68 0.01 -0.19 -4.98 113.70 111.54 1a05 s SER 217 Ca 0.26 -0.35 0.05 0.00 1.31 0.00 0.00 55.95 57.22 1a05 s SER 217 Cb -0.17 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 1a05 s SER 217 CO 0.15 -0.21 -0.16 -1.00 0.41 0.00 0.00 173.24 172.43 1a05 s HIS 218 N -1.03 2.64 -0.04 2.43 0.09 -1.26 -0.38 115.29 117.74 1a05 s HIS 218 Ca -0.11 -0.20 -0.10 0.00 -0.00 0.00 0.00 55.06 54.65 1a05 s HIS 218 Cb -0.07 -1.55 0.02 0.00 -0.00 0.00 0.00 32.58 30.98 1a05 s HIS 218 CO -0.01 0.23 0.23 1.41 -0.00 0.00 0.00 174.74 176.60 1a05 s MET 219 N -1.13 0.45 0.32 1.40 0.00 -0.60 -4.93 119.30 114.80 1a05 s MET 219 Ca 0.14 -0.01 -0.27 0.00 0.00 0.00 0.00 55.69 55.54 1a05 s MET 219 Cb -0.11 0.20 -0.10 0.00 0.00 0.00 0.00 34.83 34.83 1a05 s MET 219 CO 0.03 -0.10 0.98 0.71 0.00 0.00 0.00 175.02 176.65 1a05 s TYR 220 N -0.70 3.64 0.36 4.11 2.02 -1.26 -1.22 117.35 124.30 1a05 s TYR 220 Ca -0.08 1.77 0.09 0.00 -0.37 0.00 0.00 57.07 58.48 1a05 s TYR 220 Cb -0.04 -3.01 0.83 0.00 -0.40 0.00 0.00 41.96 39.33 1a05 s TYR 220 CO 0.02 -0.00 1.88 -0.24 -1.57 0.00 0.00 175.55 175.63 1a05 h VAL 221 N 2.67 0.85 -0.21 0.71 3.04 -0.27 0.32 116.25 123.35 1a05 h VAL 221 Ca -0.47 -0.23 -0.07 0.00 -1.01 0.00 0.00 66.70 64.92 1a05 h VAL 221 Cb 1.20 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 30.58 1a05 h VAL 221 CO 0.65 0.12 -0.13 -2.24 -1.01 0.00 0.00 177.57 174.97 1a05 h ASP 222 N 0.68 0.48 -0.77 3.17 2.03 -1.93 -2.22 116.42 117.86 1a05 h ASP 222 Ca 0.43 -0.43 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 1a05 h ASP 222 Cb 0.69 -0.13 -0.03 0.00 -0.83 0.00 0.00 39.33 39.03 1a05 h ASP 222 CO -0.19 0.80 0.28 -1.13 -1.03 0.00 0.00 179.24 177.97 1a05 h ASN 223 N 0.16 1.09 0.10 4.15 -0.00 -1.80 -1.93 115.58 117.35 1a05 h ASN 223 Ca 0.04 -0.19 -0.02 0.00 -0.00 0.00 0.00 56.30 56.14 1a05 h ASN 223 Cb 0.63 -0.28 -0.00 0.00 -0.00 0.00 0.00 38.32 38.67 1a05 h ASN 223 CO 0.04 0.99 -0.10 0.00 -0.00 0.00 0.00 177.43 178.35 1a05 h ALA 224 N 1.16 1.81 0.00 1.57 0.00 -0.88 -0.15 119.26 122.77 1a05 h ALA 224 Ca 0.26 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1a05 h ALA 224 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1a05 h ALA 224 CO -0.02 0.12 -0.27 0.00 0.00 0.00 0.00 179.25 179.09 1a05 h ALA 225 N 1.90 1.12 0.18 0.00 0.00 -0.71 -2.51 119.26 119.25 1a05 h ALA 225 Ca -0.00 -0.24 -0.34 0.00 0.00 0.00 0.00 54.91 54.33 1a05 h ALA 225 Cb 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1a05 h ALA 225 CO 0.01 0.33 -1.68 0.52 0.00 0.00 0.00 179.25 178.43 1a05 h MET 226 N 0.00 0.38 -0.28 0.00 2.07 -0.95 -3.37 114.93 112.78 1a05 h MET 226 Ca -0.00 -0.65 -0.06 0.00 -2.07 0.00 0.00 59.70 56.91 1a05 h MET 226 Cb 0.68 0.24 -0.02 0.00 -1.87 0.00 0.00 31.60 30.64 1a05 h MET 226 CO 0.03 1.31 -0.10 1.96 1.07 0.00 0.00 176.91 181.19 1a05 h GLN 227 N 0.04 0.46 -0.31 1.72 1.08 -1.19 0.21 115.11 117.13 1a05 h GLN 227 Ca -0.33 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1a05 h GLN 227 Cb 2.05 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 29.41 1a05 h GLN 227 CO 0.17 0.57 0.19 -0.07 -0.95 0.00 0.00 178.83 178.73 1a05 h LEU 228 N 0.44 0.36 0.08 1.46 3.38 -1.61 0.83 115.31 120.25 1a05 h LEU 228 Ca 0.09 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.73 1a05 h LEU 228 Cb 0.44 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1a05 h LEU 228 CO 0.02 0.28 -1.71 0.40 0.09 0.00 0.00 178.44 177.52 1a05 h ILE 229 N 0.43 0.75 -0.44 1.22 2.04 -1.60 -3.24 117.51 116.67 1a05 h ILE 229 Ca 0.11 -2.29 -0.09 0.00 1.00 0.00 0.00 64.86 63.59 1a05 h ILE 229 Cb -0.02 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1a05 h ILE 229 CO -0.02 0.68 -0.09 -0.09 0.00 0.00 0.00 178.15 178.63 1a05 h ARG 230 N -0.32 0.84 -0.48 2.37 2.43 -0.45 -3.40 114.38 115.37 1a05 h ARG 230 Ca -0.39 -0.31 -0.30 0.00 -0.81 0.00 0.00 59.98 58.16 1a05 h ARG 230 Cb 1.77 -0.05 -0.20 0.00 -0.42 0.00 0.00 29.97 31.07 1a05 h ARG 230 CO -0.02 0.94 -0.64 0.00 -1.51 0.00 0.00 179.97 178.75 1a05 n ALA 231 N -2.46 -0.50 -0.04 2.80 0.00 0.27 -5.01 120.51 115.58 1a05 n ALA 231 Ca -0.00 -1.88 0.18 0.00 0.00 0.00 0.00 53.44 51.74 1a05 n ALA 231 Cb 0.37 -1.21 0.63 0.00 0.00 0.00 0.00 19.45 19.23 1a05 n ALA 231 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1a05 h PRO 232 N 4.01 0.13 0.00 0.00 0.13 -1.56 -2.06 132.00 132.65 1a05 h PRO 232 Ca -0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1a05 h PRO 232 Cb 0.99 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1a05 h PRO 232 CO 0.36 0.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.22 1a05 n ALA 233 N -2.60 1.53 0.39 -0.56 0.00 -1.26 -2.05 120.51 115.96 1a05 n ALA 233 Ca 0.10 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1a05 n ALA 233 Cb 0.55 -1.15 0.33 0.00 0.00 0.00 0.00 19.45 19.18 1a05 n ALA 233 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1a05 h GLN 234 N 0.00 0.00 -6.09 0.00 3.07 -1.74 -3.46 115.11 106.89 1a05 h GLN 234 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 58.65 58.15 1a05 h GLN 234 Cb 0.12 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.63 1a05 h GLN 234 CO 0.00 0.00 -0.23 -0.06 0.09 0.00 0.00 178.83 178.63 1a05 s PHE 235 N -3.23 3.61 0.00 0.06 0.08 -0.87 -5.01 117.98 112.63 1a05 s PHE 235 Ca 0.08 0.84 0.00 0.00 0.12 0.00 0.00 56.93 57.96 1a05 s PHE 235 Cb 0.08 -2.19 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 1a05 s PHE 235 CO 0.61 0.54 0.00 -3.47 -0.10 0.00 0.00 175.22 172.80 1a05 n ASP 236 N 1.10 0.00 -4.52 1.36 2.03 -1.26 -4.59 116.55 110.67 1a05 n ASP 236 Ca -0.09 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.88 1a05 n ASP 236 Cb 0.52 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.81 1a05 n ASP 236 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1a05 s VAL 237 N 0.00 4.09 -0.28 5.18 1.01 -0.72 -0.78 120.40 128.90 1a05 s VAL 237 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1a05 s VAL 237 Cb 0.00 -2.82 0.04 0.00 0.00 0.00 0.00 36.38 33.61 1a05 s VAL 237 CO 0.00 0.47 -0.02 -0.22 0.00 0.00 0.00 175.10 175.33 1a05 s LEU 238 N 0.50 3.67 -0.17 3.92 0.20 -0.16 -0.93 118.68 125.71 1a05 s LEU 238 Ca -0.02 -1.17 -0.09 0.00 0.69 0.00 0.00 54.13 53.54 1a05 s LEU 238 Cb -0.14 -1.69 -0.05 0.00 -0.43 0.00 0.00 46.19 43.89 1a05 s LEU 238 CO 0.02 -0.22 0.14 -0.22 -0.29 0.00 0.00 176.35 175.78 1a05 s LEU 239 N 1.26 4.27 0.22 -0.68 2.96 0.10 -1.00 118.68 125.82 1a05 s LEU 239 Ca -0.04 0.32 -0.22 0.00 -0.22 0.00 0.00 54.13 53.97 1a05 s LEU 239 Cb -0.19 -2.10 0.05 0.00 0.50 0.00 0.00 46.19 44.46 1a05 s LEU 239 CO -0.02 0.25 0.89 0.28 -1.32 0.00 0.00 176.35 176.43 1a05 s THR 240 N -0.09 0.00 0.99 3.68 -1.32 -0.94 0.23 115.64 118.19 1a05 s THR 240 Ca 0.11 -0.78 -0.17 0.00 -1.21 0.00 0.00 61.69 59.64 1a05 s THR 240 Cb -0.11 -2.28 0.25 0.00 -1.51 0.00 0.00 72.50 68.85 1a05 s THR 240 CO 0.00 0.00 0.90 0.61 -2.21 0.00 0.00 174.62 173.92 1a05 n GLY 241 N -0.52 -2.66 0.34 6.08 0.00 -1.26 -1.52 105.19 105.66 1a05 n GLY 241 Ca -0.05 -1.50 -0.17 0.00 0.00 0.00 0.00 46.02 44.30 1a05 n GLY 241 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1a05 h ASN 242 N -2.37 -0.70 0.68 1.61 -0.73 -1.77 -0.15 115.58 112.16 1a05 h ASN 242 Ca -0.34 0.02 -0.03 0.00 1.87 0.00 0.00 56.30 57.82 1a05 h ASN 242 Cb 1.02 0.18 0.01 0.00 0.27 0.00 0.00 38.32 39.80 1a05 h ASN 242 CO 0.22 -0.49 -0.33 -0.03 -0.37 0.00 0.00 177.43 176.43 1a05 h MET 243 N -0.85 -0.89 -0.43 6.67 4.05 -1.92 -1.78 114.93 119.79 1a05 h MET 243 Ca -0.08 0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1a05 h MET 243 Cb 0.64 0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.62 1a05 h MET 243 CO 0.14 -0.59 0.04 0.74 0.23 0.00 0.00 176.91 177.47 1a05 h PHE 244 N -0.92 0.70 -0.61 1.39 0.04 -1.95 -2.60 116.94 113.00 1a05 h PHE 244 Ca -0.09 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.55 1a05 h PHE 244 Cb 0.71 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 1a05 h PHE 244 CO -0.03 0.64 0.18 0.78 -0.60 0.00 0.00 178.31 179.28 1a05 h GLY 245 N 0.91 0.99 0.90 -1.45 0.00 -0.96 -0.39 103.07 103.06 1a05 h GLY 245 Ca 0.14 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1a05 h GLY 245 CO 0.01 0.53 0.07 -1.80 0.00 0.00 0.00 176.54 175.34 1a05 h ASP 246 N 0.89 0.09 0.48 0.19 3.58 -0.93 -0.88 116.42 119.85 1a05 h ASP 246 Ca 0.20 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1a05 h ASP 246 Cb 0.27 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1a05 h ASP 246 CO -0.01 0.08 -0.23 0.40 -2.88 0.00 0.00 179.24 176.60 1a05 h ILE 247 N 0.16 0.23 0.00 2.25 2.04 -1.38 -3.08 117.51 117.73 1a05 h ILE 247 Ca 0.07 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1a05 h ILE 247 Cb 0.03 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1a05 h ILE 247 CO -0.06 0.05 -0.05 -0.07 0.00 0.00 0.00 178.15 178.01 1a05 h LEU 248 N -1.08 0.00 -0.05 1.44 3.38 -1.12 -1.96 115.31 115.92 1a05 h LEU 248 Ca -0.07 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.67 1a05 h LEU 248 Cb 0.57 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.34 1a05 h LEU 248 CO 0.11 0.05 -0.89 -1.28 0.09 0.00 0.00 178.44 176.53 1a05 h SER 249 N 0.00 0.87 0.33 -0.43 0.87 -1.23 -1.06 113.55 112.91 1a05 h SER 249 Ca -0.00 -0.70 -0.09 0.00 -1.23 0.00 0.00 61.79 59.77 1a05 h SER 249 Cb 0.20 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1a05 h SER 249 CO 0.01 1.45 -0.39 0.44 -0.53 0.00 0.00 176.83 177.80 1a05 h ASP 250 N 0.37 0.09 -0.16 6.23 5.19 -1.34 0.21 116.42 127.01 1a05 h ASP 250 Ca -0.10 -0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.18 1a05 h ASP 250 Cb 1.54 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.02 1a05 h ASP 250 CO 0.18 0.48 -0.30 -0.08 -3.12 0.00 0.00 179.24 176.40 1a05 h GLU 251 N 0.08 0.49 -0.87 3.56 4.81 -1.30 -2.07 114.58 119.29 1a05 h GLU 251 Ca 0.01 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1a05 h GLU 251 Cb 0.73 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 1a05 h GLU 251 CO 0.05 0.91 0.49 0.00 -0.73 0.00 0.00 179.01 179.74 1a05 h ALA 252 N 0.58 1.23 -0.68 2.92 0.00 -0.94 -2.75 119.26 119.62 1a05 h ALA 252 Ca 0.01 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1a05 h ALA 252 Cb 0.88 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1a05 h ALA 252 CO 0.07 0.64 0.16 0.77 0.00 0.00 0.00 179.25 180.88 1a05 h SER 253 N 1.21 1.04 -0.24 0.00 0.02 -0.87 -3.15 113.55 111.56 1a05 h SER 253 Ca 0.31 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 1a05 h SER 253 Cb 0.00 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1a05 h SER 253 CO -0.05 1.01 -0.28 -0.61 -1.14 0.00 0.00 176.83 175.75 1a05 h GLN 254 N 1.02 0.74 0.00 3.45 5.75 -1.11 -2.94 115.11 122.01 1a05 h GLN 254 Ca 0.21 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1a05 h GLN 254 Cb 0.38 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1a05 h GLN 254 CO 0.00 0.93 0.00 1.47 -2.65 0.00 0.00 178.83 178.58 1a05 n LEU 255 N -4.09 0.31 0.11 -2.39 -0.00 -1.06 -0.99 117.00 108.89 1a05 n LEU 255 Ca -0.01 0.58 0.02 0.00 -0.00 0.00 0.00 56.01 56.60 1a05 n LEU 255 Cb 0.46 -0.54 -0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1a05 n LEU 255 CO 0.45 -0.41 0.30 0.71 -0.00 0.00 0.00 177.39 178.44 1a05 h THR 256 N 0.00 0.79 0.00 1.47 1.35 -1.54 -3.41 112.91 111.56 1a05 h THR 256 Ca 0.00 -2.17 0.00 0.00 -0.55 0.00 0.00 66.41 63.69 1a05 h THR 256 Cb 0.29 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1a05 h THR 256 CO 0.00 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1a05 n GLY 257 N 1.26 2.60 3.17 5.82 0.00 -0.17 -4.13 105.19 113.75 1a05 n GLY 257 Ca -0.00 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1a05 n GLY 257 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a05 s SER 258 N 0.07 5.50 0.31 1.61 0.01 -1.26 -4.76 113.70 115.18 1a05 s SER 258 Ca 0.00 -1.95 0.14 0.00 1.31 0.00 0.00 55.95 55.45 1a05 s SER 258 Cb 0.00 -1.93 0.45 0.00 0.21 0.00 0.00 66.02 64.75 1a05 s SER 258 CO 0.00 -0.62 1.64 -0.29 0.41 0.00 0.00 173.24 174.38 1a05 h ILE 259 N 6.23 1.21 0.00 1.44 2.10 -1.94 -3.07 117.51 123.49 1a05 h ILE 259 Ca -0.18 -1.95 0.00 0.00 1.08 0.00 0.00 64.86 63.82 1a05 h ILE 259 Cb 1.06 2.10 0.00 0.00 -1.09 0.00 0.00 36.82 38.89 1a05 h ILE 259 CO 0.79 0.52 0.00 0.61 -1.08 0.00 0.00 178.15 178.99 1a05 n GLY 260 N 0.33 -0.73 0.10 8.18 0.00 -1.26 -2.68 105.19 109.13 1a05 n GLY 260 Ca -0.01 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.94 1a05 n GLY 260 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a05 n MET 261 N -1.03 2.42 -3.08 1.61 2.81 -1.16 -1.76 117.12 116.93 1a05 n MET 261 Ca 0.16 -0.22 -0.41 0.00 -1.81 0.00 0.00 57.70 55.42 1a05 n MET 261 Cb 0.09 -1.14 -0.06 0.00 -0.71 0.00 0.00 33.22 31.39 1a05 n MET 261 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1a05 s LEU 262 N -2.39 4.12 0.57 4.03 1.43 -1.09 -4.41 118.68 120.94 1a05 s LEU 262 Ca 0.07 0.51 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1a05 s LEU 262 Cb 0.10 -2.87 0.05 0.00 0.03 0.00 0.00 46.19 43.50 1a05 s LEU 262 CO 0.48 -0.49 0.79 -2.16 0.23 0.00 0.00 176.35 175.20 1a05 s PRO 263 N 2.66 2.40 -0.02 1.29 0.04 -1.26 -3.08 135.00 137.03 1a05 s PRO 263 Ca 0.27 -0.98 -0.26 0.00 0.04 0.00 0.00 61.00 60.06 1a05 s PRO 263 Cb -0.15 -2.51 0.06 0.00 0.04 0.00 0.00 34.50 31.94 1a05 s PRO 263 CO 0.11 -0.80 0.57 -1.54 0.04 0.00 0.00 177.00 175.38 1a05 s SER 264 N -4.49 -0.52 -0.01 6.66 1.04 -1.03 -4.27 113.70 111.07 1a05 s SER 264 Ca 0.59 0.47 0.05 0.00 0.48 0.00 0.00 55.95 57.54 1a05 s SER 264 Cb -0.09 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1a05 s SER 264 CO 0.39 -0.61 -0.15 0.00 0.98 0.00 0.00 173.24 173.85 1a05 s ALA 265 N -1.52 1.25 -0.32 5.32 0.00 -0.59 -2.94 121.76 122.97 1a05 s ALA 265 Ca -0.10 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1a05 s ALA 265 Cb -0.01 -0.33 0.09 0.00 0.00 0.00 0.00 23.12 22.87 1a05 s ALA 265 CO 0.06 0.30 0.03 -1.12 0.00 0.00 0.00 175.76 175.03 1a05 s SER 266 N -0.32 4.55 -0.04 0.00 0.01 -0.04 0.12 113.70 117.98 1a05 s SER 266 Ca 0.05 -1.91 -0.03 0.00 1.31 0.00 0.00 55.95 55.37 1a05 s SER 266 Cb -0.06 -1.47 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 1a05 s SER 266 CO -0.00 -0.35 0.11 -0.76 0.41 0.00 0.00 173.24 172.64 1a05 s LEU 267 N 1.07 4.09 0.00 2.44 1.43 0.14 -1.29 118.68 126.56 1a05 s LEU 267 Ca 0.07 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1a05 s LEU 267 Cb -0.19 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.79 1a05 s LEU 267 CO -0.10 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1a05 n GLY 268 N 1.45 4.39 3.57 -3.19 0.00 -0.93 -0.79 105.19 109.69 1a05 n GLY 268 Ca -0.15 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1a05 n GLY 268 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a05 s GLU 269 N -1.06 3.37 -0.42 1.61 0.41 -1.26 -3.75 118.70 117.60 1a05 s GLU 269 Ca 0.00 0.27 0.00 0.00 -0.41 0.00 0.00 54.97 54.83 1a05 s GLU 269 Cb 0.00 -4.09 0.00 0.00 -1.78 0.00 0.00 34.13 28.26 1a05 s GLU 269 CO 0.00 -1.87 0.00 0.41 -0.49 0.00 0.00 175.26 173.31 1a05 n GLY 270 N 5.20 0.64 3.34 -1.39 0.00 -1.26 -4.99 105.19 106.73 1a05 n GLY 270 Ca 0.09 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1a05 n GLY 270 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a05 s ARG 271 N -1.70 1.30 -0.25 1.61 0.52 -1.25 -4.85 118.95 114.34 1a05 s ARG 271 Ca 0.00 -1.46 -0.28 0.00 -0.52 0.00 0.00 55.73 53.47 1a05 s ARG 271 Cb 0.00 0.34 0.16 0.00 0.52 0.00 0.00 34.95 35.97 1a05 s ARG 271 CO 0.00 -0.47 1.21 0.00 0.02 0.00 0.00 175.30 176.06 1a05 s ALA 272 N -4.09 -2.06 -0.03 2.13 0.00 -1.23 -2.19 121.76 114.28 1a05 s ALA 272 Ca 0.31 1.75 0.04 0.00 0.00 0.00 0.00 51.96 54.06 1a05 s ALA 272 Cb 0.04 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 1a05 s ALA 272 CO 0.10 -0.22 -0.15 1.41 0.00 0.00 0.00 175.76 176.90 1a05 s MET 273 N -0.54 1.41 -0.09 0.00 1.75 -0.41 -0.00 119.30 121.42 1a05 s MET 273 Ca 0.04 -0.51 0.04 0.00 -1.25 0.00 0.00 55.69 54.01 1a05 s MET 273 Cb -0.03 -1.28 0.00 0.00 2.84 0.00 0.00 34.83 36.36 1a05 s MET 273 CO -0.07 0.24 -0.22 0.71 -0.65 0.00 0.00 175.02 175.03 1a05 s TYR 274 N -0.04 2.38 0.06 4.11 1.51 0.19 -0.86 117.35 124.71 1a05 s TYR 274 Ca -0.01 -0.96 -0.15 0.00 -1.01 0.00 0.00 57.07 54.95 1a05 s TYR 274 Cb -0.09 -1.60 0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1a05 s TYR 274 CO 0.01 -0.39 0.34 -1.83 -1.11 0.00 0.00 175.55 172.57 1a05 s GLU 275 N 0.37 0.89 0.60 -0.62 -1.05 -1.15 -1.02 118.70 116.71 1a05 s GLU 275 Ca -0.18 -0.53 -0.12 0.00 -0.15 0.00 0.00 54.97 54.00 1a05 s GLU 275 Cb -0.17 0.39 -0.05 0.00 -0.44 0.00 0.00 34.13 33.85 1a05 s GLU 275 CO 0.08 -0.30 1.01 -1.25 0.95 0.00 0.00 175.26 175.75 1a05 s PRO 276 N -2.83 3.66 0.00 -4.83 0.04 -1.26 -2.48 135.00 127.31 1a05 s PRO 276 Ca -0.03 0.77 0.22 0.00 0.04 0.00 0.00 61.00 62.00 1a05 s PRO 276 Cb 0.00 -2.10 0.56 0.00 0.04 0.00 0.00 34.50 33.00 1a05 s PRO 276 CO -0.05 -0.50 1.48 0.44 0.04 0.00 0.00 177.00 178.41 1a05 n ILE 277 N -2.51 0.83 1.30 0.56 -6.64 -1.18 -4.57 119.36 107.15 1a05 n ILE 277 Ca 0.06 -0.91 0.14 0.00 -1.77 0.00 0.00 62.75 60.26 1a05 n ILE 277 Cb 0.54 0.67 0.53 0.00 -1.44 0.00 0.00 39.64 39.93 1a05 n ILE 277 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1a05 n HIS 278 N 1.55 0.00 0.00 4.28 1.44 -1.26 -5.07 115.22 116.16 1a05 n HIS 278 Ca 0.22 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.93 1a05 n HIS 278 Cb 0.61 -0.20 0.00 0.00 0.12 0.00 0.00 29.99 30.52 1a05 n HIS 278 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1a05 n GLY 279 N 1.33 -1.08 0.11 -1.39 0.00 -1.26 -4.63 105.19 98.28 1a05 n GLY 279 Ca 0.12 -1.63 0.15 0.00 0.00 0.00 0.00 46.02 44.66 1a05 n GLY 279 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a05 n SER 280 N -1.44 0.42 -2.88 1.61 3.41 -1.26 -4.91 113.62 108.57 1a05 n SER 280 Ca 0.00 -0.68 -0.06 0.00 -0.26 0.00 0.00 58.87 57.86 1a05 n SER 280 Cb 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1a05 n SER 280 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a05 n ALA 281 N -0.90 -1.42 -0.29 7.33 0.00 -1.26 -1.81 120.51 122.16 1a05 n ALA 281 Ca 0.17 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.66 1a05 n ALA 281 Cb 0.25 -0.19 0.36 0.00 0.00 0.00 0.00 19.45 19.87 1a05 n ALA 281 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1a05 h PRO 282 N 0.78 0.70 0.00 0.00 0.11 -1.93 -2.90 132.00 128.75 1a05 h PRO 282 Ca -0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1a05 h PRO 282 Cb 0.33 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1a05 h PRO 282 CO 0.09 0.46 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 1a05 n ASP 283 N -4.59 0.21 -0.02 -2.05 5.75 -1.26 -1.74 116.55 112.84 1a05 n ASP 283 Ca 0.19 0.59 0.01 0.00 -0.01 0.00 0.00 54.79 55.57 1a05 n ASP 283 Cb 0.49 -0.62 0.01 0.00 -1.03 0.00 0.00 41.12 39.97 1a05 n ASP 283 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1a05 n ILE 284 N -1.78 0.81 -1.77 2.12 -5.35 -1.10 -5.04 119.36 107.26 1a05 n ILE 284 Ca -0.00 -0.84 -0.42 0.00 -0.27 0.00 0.00 62.75 61.21 1a05 n ILE 284 Cb 0.02 0.55 -0.03 0.00 -1.74 0.00 0.00 39.64 38.44 1a05 n ILE 284 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1a05 s ALA 285 N -0.90 3.80 0.00 -1.28 0.00 -0.71 -2.20 121.76 120.47 1a05 s ALA 285 Ca 0.03 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1a05 s ALA 285 Cb 0.02 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1a05 s ALA 285 CO 0.00 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1a05 n GLY 286 N 4.09 0.78 0.88 0.00 0.00 -1.26 -4.89 105.19 104.79 1a05 n GLY 286 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1a05 n GLY 286 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a05 n GLN 287 N -2.32 2.14 -2.69 1.61 6.02 -0.93 -4.94 117.38 116.27 1a05 n GLN 287 Ca 0.00 -1.73 -0.18 0.00 -0.01 0.00 0.00 57.00 55.07 1a05 n GLN 287 Cb 0.01 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 29.83 1a05 n GLN 287 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1a05 n ASP 288 N 0.94 -4.81 -0.10 1.08 2.03 -1.26 -4.86 116.55 109.57 1a05 n ASP 288 Ca 0.18 -0.04 -0.11 0.00 0.52 0.00 0.00 54.79 55.34 1a05 n ASP 288 Cb 0.46 -4.00 -0.14 0.00 -0.72 0.00 0.00 41.12 36.72 1a05 n ASP 288 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1a05 n LYS 289 N -3.24 0.87 -1.61 -0.67 5.02 -1.26 -1.00 118.16 116.27 1a05 n LYS 289 Ca -0.14 0.02 -0.44 0.00 -2.02 0.00 0.00 58.31 55.72 1a05 n LYS 289 Cb 0.62 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 34.14 1a05 n LYS 289 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a05 n ALA 290 N -2.78 0.09 -2.62 7.82 0.00 -1.26 -4.30 120.51 117.46 1a05 n ALA 290 Ca -0.33 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 1a05 n ALA 290 Cb 1.08 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1a05 n ALA 290 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1a05 s ASN 291 N -0.53 6.79 0.00 0.00 3.84 -1.26 -4.02 114.94 119.76 1a05 s ASN 291 Ca 0.58 0.78 0.27 0.00 0.21 0.00 0.00 52.86 54.70 1a05 s ASN 291 Cb -0.66 -2.54 0.84 0.00 -0.55 0.00 0.00 41.25 38.34 1a05 s ASN 291 CO 0.60 -1.01 1.62 -0.81 -2.79 0.00 0.00 177.10 174.71 1a05 n PRO 292 N 7.21 0.73 0.06 0.43 -0.04 -1.26 -4.28 135.00 137.84 1a05 n PRO 292 Ca 0.11 -0.39 0.18 0.00 -0.04 0.00 0.00 63.50 63.36 1a05 n PRO 292 Cb 0.48 -1.49 0.70 0.00 -0.04 0.00 0.00 33.50 33.14 1a05 n PRO 292 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1a05 h LEU 293 N 0.96 0.00 -0.16 1.53 3.38 -1.91 0.21 115.31 119.32 1a05 h LEU 293 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1a05 h LEU 293 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1a05 h LEU 293 CO 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 178.44 177.83 1a05 h ALA 294 N 1.76 0.30 -0.41 1.53 0.00 -1.53 -0.40 119.26 120.52 1a05 h ALA 294 Ca 0.20 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1a05 h ALA 294 Cb 0.84 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1a05 h ALA 294 CO -0.00 0.63 -0.26 1.15 0.00 0.00 0.00 179.25 180.76 1a05 h THR 295 N 0.48 1.28 -0.53 0.00 2.02 -1.47 -1.81 112.91 112.88 1a05 h THR 295 Ca -0.04 -1.42 -0.02 0.00 0.77 0.00 0.00 66.41 65.70 1a05 h THR 295 Cb 1.33 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 69.00 1a05 h THR 295 CO 0.15 0.48 0.26 0.40 0.37 0.00 0.00 175.52 177.18 1a05 h ILE 296 N 0.73 1.20 0.00 3.11 2.04 -0.63 -1.42 117.51 122.54 1a05 h ILE 296 Ca 0.08 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1a05 h ILE 296 Cb 0.84 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1a05 h ILE 296 CO 0.07 0.22 -0.02 -0.07 0.00 0.00 0.00 178.15 178.35 1a05 h LEU 297 N 0.71 0.00 -0.24 1.44 3.38 -0.95 -1.57 115.31 118.08 1a05 h LEU 297 Ca 0.18 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.95 1a05 h LEU 297 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1a05 h LEU 297 CO -0.02 0.02 -0.91 0.28 0.09 0.00 0.00 178.44 177.90 1a05 h SER 298 N 0.00 0.21 -0.26 -0.43 0.02 -0.40 -2.54 113.55 110.15 1a05 h SER 298 Ca -0.00 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 1a05 h SER 298 Cb 0.45 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1a05 h SER 298 CO 0.00 1.01 -0.17 0.58 -1.14 0.00 0.00 176.83 177.12 1a05 h VAL 299 N 0.08 1.26 -0.36 2.27 2.07 -0.38 -1.18 116.25 120.01 1a05 h VAL 299 Ca -0.04 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 1a05 h VAL 299 Cb 1.56 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1a05 h VAL 299 CO 0.14 0.41 0.04 0.00 0.02 0.00 0.00 177.57 178.17 1a05 h ALA 300 N 1.19 1.41 -0.25 1.67 0.00 -1.23 0.34 119.26 122.39 1a05 h ALA 300 Ca 0.10 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1a05 h ALA 300 Cb 0.63 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1a05 h ALA 300 CO 0.04 0.42 -0.40 0.52 0.00 0.00 0.00 179.25 179.84 1a05 h MET 301 N 0.52 0.59 -0.41 0.00 2.86 -0.96 -2.57 114.93 114.95 1a05 h MET 301 Ca 0.12 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.38 1a05 h MET 301 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1a05 h MET 301 CO 0.00 0.89 -0.05 1.98 1.06 0.00 0.00 176.91 180.79 1a05 h MET 302 N 0.49 0.77 -0.28 1.72 -1.53 -0.09 0.30 114.93 116.31 1a05 h MET 302 Ca 0.04 -0.27 0.01 0.00 -3.44 0.00 0.00 59.70 56.04 1a05 h MET 302 Cb 0.90 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.88 1a05 h MET 302 CO 0.08 0.87 0.18 -0.07 0.14 0.00 0.00 176.91 178.12 1a05 h LEU 303 N 0.59 0.30 0.00 3.39 3.38 -0.89 0.11 115.31 122.19 1a05 h LEU 303 Ca 0.11 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1a05 h LEU 303 Cb 0.56 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1a05 h LEU 303 CO 0.03 0.21 -0.32 -0.09 0.09 0.00 0.00 178.44 178.37 1a05 h ARG 304 N 0.35 0.00 0.00 1.13 2.43 -1.04 0.17 114.38 117.43 1a05 h ARG 304 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1a05 h ARG 304 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1a05 h ARG 304 CO -0.02 0.86 -0.71 0.45 -1.51 0.00 0.00 179.97 179.04 1a05 h HIS 305 N -1.00 0.00 0.00 2.20 3.86 -0.39 -3.39 115.15 116.43 1a05 h HIS 305 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1a05 h HIS 305 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 1a05 h HIS 305 CO 0.19 0.00 -0.94 0.43 0.86 0.00 0.00 177.93 178.47 1a05 n SER 306 N -2.65 4.36 -1.20 2.45 7.64 0.29 -4.83 113.62 119.67 1a05 n SER 306 Ca 0.02 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.00 1a05 n SER 306 Cb 0.52 0.30 0.29 0.00 -1.01 0.00 0.00 64.21 64.31 1a05 n SER 306 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1a05 n LEU 307 N -2.10 3.74 -3.95 -3.43 4.77 -0.57 -4.97 117.00 110.48 1a05 n LEU 307 Ca 0.00 -1.99 -0.26 0.00 -0.03 0.00 0.00 56.01 53.73 1a05 n LEU 307 Cb 0.47 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1a05 n LEU 307 CO 0.00 0.93 -0.18 -3.20 -1.33 0.00 0.00 177.39 173.61 1a05 n ASN 308 N 1.41 -0.92 -2.83 -1.43 5.15 -1.18 -4.91 115.26 110.55 1a05 n ASN 308 Ca 0.22 -0.98 -0.19 0.00 -0.60 0.00 0.00 54.58 53.04 1a05 n ASN 308 Cb 0.58 -3.18 -0.01 0.00 -0.53 0.00 0.00 39.78 36.65 1a05 n ASN 308 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a05 n ALA 309 N -4.40 3.56 -0.16 5.20 0.00 0.60 -4.95 120.51 120.37 1a05 n ALA 309 Ca -0.25 -3.74 -0.03 0.00 0.00 0.00 0.00 53.44 49.42 1a05 n ALA 309 Cb 0.66 -0.82 0.04 0.00 0.00 0.00 0.00 19.45 19.33 1a05 n ALA 309 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1a05 h GLU 310 N 2.91 0.02 -0.64 0.00 4.57 -1.85 0.51 114.58 120.11 1a05 h GLU 310 Ca 0.08 -0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.38 1a05 h GLU 310 Cb 0.94 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.49 1a05 h GLU 310 CO 0.63 0.01 0.43 -1.35 -1.18 0.00 0.00 179.01 177.55 1a05 h PRO 311 N 0.02 0.36 0.00 0.92 0.11 -1.94 -0.67 132.00 130.79 1a05 h PRO 311 Ca 0.24 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 66.16 1a05 h PRO 311 Cb 0.37 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 1a05 h PRO 311 CO -0.50 0.24 -0.97 -1.49 -0.21 0.00 0.00 178.00 175.07 1a05 h TRP 312 N 0.37 0.00 -0.53 0.65 4.06 -1.52 -2.70 115.95 116.27 1a05 h TRP 312 Ca 0.30 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.17 1a05 h TRP 312 Cb 0.69 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.83 1a05 h TRP 312 CO -0.00 0.75 -0.02 0.00 -3.56 0.00 0.00 178.44 175.61 1a05 h ALA 313 N 1.25 0.96 -0.45 1.49 0.00 0.19 -2.01 119.26 120.68 1a05 h ALA 313 Ca -0.07 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 1a05 h ALA 313 Cb 1.63 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1a05 h ALA 313 CO 0.09 0.63 -0.25 1.96 0.00 0.00 0.00 179.25 181.67 1a05 h GLN 314 N 0.85 0.95 -0.14 0.00 4.20 -1.18 -2.33 115.11 117.45 1a05 h GLN 314 Ca 0.15 -0.42 -0.06 0.00 0.06 0.00 0.00 58.65 58.38 1a05 h GLN 314 Cb 0.53 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1a05 h GLN 314 CO 0.03 1.09 -0.20 -0.09 -0.67 0.00 0.00 178.83 178.99 1a05 h ARG 315 N 0.81 0.24 -0.15 1.46 2.43 -1.17 0.15 114.38 118.15 1a05 h ARG 315 Ca 0.10 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 1a05 h ARG 315 Cb 0.83 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1a05 h ARG 315 CO 0.07 0.43 -0.40 0.28 -1.51 0.00 0.00 179.97 178.85 1a05 h VAL 316 N 0.22 1.35 -0.03 0.20 2.07 -1.28 -1.88 116.25 116.91 1a05 h VAL 316 Ca 0.04 -1.67 -0.06 0.00 0.82 0.00 0.00 66.70 65.83 1a05 h VAL 316 Cb 0.48 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1a05 h VAL 316 CO 0.03 0.51 -0.27 -0.33 0.02 0.00 0.00 177.57 177.53 1a05 h GLU 317 N 0.17 0.04 -0.09 1.57 5.08 -1.04 -2.44 114.58 117.88 1a05 h GLU 317 Ca -0.01 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 1a05 h GLU 317 Cb 1.01 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1a05 h GLU 317 CO 0.09 0.31 -0.80 0.00 -1.00 0.00 0.00 179.01 177.61 1a05 h ALA 318 N 1.69 0.43 -0.33 3.43 0.00 -0.64 -2.84 119.26 121.02 1a05 h ALA 318 Ca 0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 54.91 54.21 1a05 h ALA 318 Cb 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1a05 h ALA 318 CO 0.04 0.74 -0.12 0.00 0.00 0.00 0.00 179.25 179.91 1a05 h ALA 319 N 0.74 1.19 -0.44 0.00 0.00 -0.89 0.16 119.26 120.03 1a05 h ALA 319 Ca -0.05 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1a05 h ALA 319 Cb 1.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1a05 h ALA 319 CO 0.15 0.52 -0.18 0.28 0.00 0.00 0.00 179.25 180.02 1a05 h VAL 320 N 0.51 1.27 -0.42 0.00 2.07 -1.44 -0.22 116.25 118.02 1a05 h VAL 320 Ca 0.09 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 1a05 h VAL 320 Cb 0.51 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1a05 h VAL 320 CO 0.03 0.45 0.12 -0.61 0.02 0.00 0.00 177.57 177.58 1a05 h GLN 321 N 0.72 0.66 -0.57 1.57 5.75 -1.23 -2.55 115.11 119.46 1a05 h GLN 321 Ca 0.10 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1a05 h GLN 321 Cb 0.74 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 1a05 h GLN 321 CO 0.06 0.66 0.35 -0.09 -2.65 0.00 0.00 178.83 177.16 1a05 h ARG 322 N 0.54 0.69 -0.71 1.69 2.43 -0.73 0.65 114.38 118.94 1a05 h ARG 322 Ca 0.13 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1a05 h ARG 322 Cb 0.29 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1a05 h ARG 322 CO -0.00 0.46 0.42 0.28 -1.51 0.00 0.00 179.97 179.61 1a05 h VAL 323 N 0.71 1.20 -0.16 0.20 2.07 -0.88 -1.50 116.25 117.89 1a05 h VAL 323 Ca 0.22 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1a05 h VAL 323 Cb -0.01 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1a05 h VAL 323 CO -0.08 0.21 -0.32 -0.07 0.02 0.00 0.00 177.57 177.33 1a05 h LEU 324 N 0.97 0.56 -1.07 2.57 3.38 -0.94 -1.34 115.31 119.44 1a05 h LEU 324 Ca 0.25 -0.56 0.10 0.00 0.09 0.00 0.00 57.88 57.77 1a05 h LEU 324 Cb -0.03 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 1a05 h LEU 324 CO -0.05 1.01 0.62 0.44 0.09 0.00 0.00 178.44 180.55 1a05 h ASP 325 N 0.13 0.92 -0.07 -0.43 3.32 -0.49 -0.00 116.42 119.79 1a05 h ASP 325 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1a05 h ASP 325 Cb 0.92 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1a05 h ASP 325 CO 0.07 0.53 0.00 0.00 -1.72 0.00 0.00 179.24 178.12 1a05 n GLN 326 N -4.56 1.38 -1.16 3.56 10.64 -0.60 -4.88 117.38 121.76 1a05 n GLN 326 Ca 0.17 -0.35 -0.05 0.00 -1.83 0.00 0.00 57.00 54.93 1a05 n GLN 326 Cb 0.30 -1.44 -0.02 0.00 -0.86 0.00 0.00 30.24 28.22 1a05 n GLN 326 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1a05 n GLY 327 N 0.24 0.77 3.68 2.61 0.00 -0.01 -5.01 105.19 107.46 1a05 n GLY 327 Ca 0.03 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1a05 n GLY 327 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a05 s LEU 328 N -1.23 4.23 0.01 0.99 1.43 -0.51 -4.98 118.68 118.61 1a05 s LEU 328 Ca 0.00 1.36 0.01 0.00 -1.03 0.00 0.00 54.13 54.48 1a05 s LEU 328 Cb 0.00 -3.39 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 1a05 s LEU 328 CO 0.00 -0.40 -0.05 -0.13 0.23 0.00 0.00 176.35 176.00 1a05 s ARG 329 N 1.95 0.40 0.43 1.70 1.81 -1.26 -4.46 118.95 119.51 1a05 s ARG 329 Ca 0.44 -0.38 0.02 0.00 -1.72 0.00 0.00 55.73 54.09 1a05 s ARG 329 Cb -0.18 -0.28 -0.00 0.00 -0.45 0.00 0.00 34.95 34.04 1a05 s ARG 329 CO 0.16 0.07 0.62 0.95 -0.68 0.00 0.00 175.30 176.42 1a05 s THR 330 N -0.61 3.87 0.32 0.02 -4.23 -1.26 -0.47 115.64 113.27 1a05 s THR 330 Ca -0.03 -0.67 0.08 0.00 -1.18 0.00 0.00 61.69 59.89 1a05 s THR 330 Cb -0.05 -3.40 0.32 0.00 1.34 0.00 0.00 72.50 70.71 1a05 s THR 330 CO -0.00 -0.24 1.66 0.00 -0.54 0.00 0.00 174.62 175.50 1a05 h ALA 331 N 0.51 1.63 0.00 3.99 0.00 -1.76 -1.04 119.26 122.60 1a05 h ALA 331 Ca -0.45 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1a05 h ALA 331 Cb 1.26 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1a05 h ALA 331 CO 0.55 -0.50 -0.29 0.38 0.00 0.00 0.00 179.25 179.39 1a05 h ASP 332 N 0.29 0.00 -0.30 0.00 2.03 -1.94 -3.17 116.42 113.32 1a05 h ASP 332 Ca 0.64 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.94 1a05 h ASP 332 Cb 1.38 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.88 1a05 h ASP 332 CO -0.62 0.29 0.00 2.30 -1.03 0.00 0.00 179.24 180.18 1a05 n ILE 333 N -3.84 1.45 -4.43 4.15 -5.35 -0.43 -5.00 119.36 105.92 1a05 n ILE 333 Ca -0.01 -1.31 -0.35 0.00 -0.27 0.00 0.00 62.75 60.81 1a05 n ILE 333 Cb 0.38 0.23 -0.10 0.00 -1.74 0.00 0.00 39.64 38.41 1a05 n ILE 333 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1a05 s ALA 334 N -1.65 3.19 0.69 -1.28 0.00 -0.95 -4.82 121.76 116.93 1a05 s ALA 334 Ca 0.29 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 1a05 s ALA 334 Cb 0.19 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.90 1a05 s ALA 334 CO 0.13 0.54 1.09 0.00 0.00 0.00 0.00 175.76 177.52 1a05 s ALA 335 N -0.72 2.47 0.15 0.00 0.00 -1.26 -4.94 121.76 117.46 1a05 s ALA 335 Ca 0.11 0.36 -0.31 0.00 0.00 0.00 0.00 51.96 52.12 1a05 s ALA 335 Cb -0.12 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.63 1a05 s ALA 335 CO 0.02 -1.37 1.74 -2.14 0.00 0.00 0.00 175.76 174.00 1a05 s PRO 336 N -4.51 4.15 0.00 0.00 0.02 -1.26 -1.76 135.00 131.64 1a05 s PRO 336 Ca 0.63 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.19 1a05 s PRO 336 Cb -0.18 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.00 1a05 s PRO 336 CO 0.48 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 1a05 n GLY 337 N 4.05 3.29 3.78 0.52 0.00 -1.26 -5.04 105.19 110.54 1a05 n GLY 337 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1a05 n GLY 337 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a05 s THR 338 N -2.20 3.77 0.28 2.61 2.01 -0.72 -5.00 115.64 116.40 1a05 s THR 338 Ca 0.00 1.36 -0.30 0.00 0.31 0.00 0.00 61.69 63.06 1a05 s THR 338 Cb 0.00 -3.70 -0.12 0.00 0.01 0.00 0.00 72.50 68.69 1a05 s THR 338 CO 0.00 0.01 1.48 -2.65 -0.69 0.00 0.00 174.62 172.77 1a05 n PRO 339 N -0.04 2.37 -4.58 4.92 -0.02 -1.26 -4.81 135.00 131.58 1a05 n PRO 339 Ca 0.05 0.84 -0.22 0.00 -2.02 0.00 0.00 63.50 62.15 1a05 n PRO 339 Cb 0.50 -2.55 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 1a05 n PRO 339 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a05 s VAL 340 N -0.21 1.21 0.19 -1.45 1.01 -1.26 -4.45 120.40 115.44 1a05 s VAL 340 Ca 0.64 -0.81 0.11 0.00 0.00 0.00 0.00 61.98 61.93 1a05 s VAL 340 Cb -0.56 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1a05 s VAL 340 CO 0.51 0.22 -0.23 0.27 0.00 0.00 0.00 175.10 175.87 1a05 s ILE 341 N -0.55 2.41 0.75 2.22 -4.36 0.37 -5.00 121.20 117.05 1a05 s ILE 341 Ca 0.05 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.31 1a05 s ILE 341 Cb -0.07 -2.16 0.17 0.00 1.25 0.00 0.00 42.46 41.66 1a05 s ILE 341 CO 0.00 -0.11 0.94 0.61 0.24 0.00 0.00 174.94 176.62 1a05 n GLY 342 N 0.26 -1.64 0.11 6.27 0.00 -1.26 -4.22 105.19 104.71 1a05 n GLY 342 Ca -0.12 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1a05 n GLY 342 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1a05 h THR 343 N -1.71 1.12 0.45 2.61 2.02 -1.21 -1.42 112.91 114.77 1a05 h THR 343 Ca -0.31 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1a05 h THR 343 Cb 0.87 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1a05 h THR 343 CO 0.22 0.12 -0.21 0.50 0.37 0.00 0.00 175.52 176.51 1a05 h LYS 344 N 0.16 -0.58 -0.52 6.66 3.11 -1.89 -2.11 116.57 121.41 1a05 h LYS 344 Ca 0.06 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.94 1a05 h LYS 344 Cb 0.11 0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 31.44 1a05 h LYS 344 CO -0.01 -0.36 0.33 0.00 -2.81 0.00 0.00 179.45 176.61 1a05 h ALA 345 N -0.11 1.60 -0.11 5.00 0.00 -1.93 -1.39 119.26 122.31 1a05 h ALA 345 Ca -0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1a05 h ALA 345 Cb 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1a05 h ALA 345 CO 0.10 0.36 -0.38 1.98 0.00 0.00 0.00 179.25 181.31 1a05 h MET 346 N 0.71 0.23 -0.02 0.00 1.85 -1.12 0.85 114.93 117.43 1a05 h MET 346 Ca 0.19 -0.10 -0.01 0.00 -0.61 0.00 0.00 59.70 59.17 1a05 h MET 346 Cb -0.06 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 31.97 1a05 h MET 346 CO -0.04 0.58 -0.02 0.78 -0.40 0.00 0.00 176.91 177.81 1a05 h GLY 347 N 1.16 0.07 2.00 1.39 0.00 -0.58 -2.27 103.07 104.84 1a05 h GLY 347 Ca 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1a05 h GLY 347 CO 0.06 0.06 -0.13 0.00 0.00 0.00 0.00 176.54 176.52 1a05 h ALA 348 N 0.53 1.49 -0.30 3.60 0.00 -1.23 -1.97 119.26 121.38 1a05 h ALA 348 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1a05 h ALA 348 Cb 0.52 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a05 h ALA 348 CO 0.01 0.17 -0.34 0.00 0.00 0.00 0.00 179.25 179.08 1a05 h ALA 349 N 1.87 0.45 -0.19 0.00 0.00 -0.67 -1.93 119.26 118.78 1a05 h ALA 349 Ca -0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1a05 h ALA 349 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1a05 h ALA 349 CO 0.02 0.51 -0.39 0.28 0.00 0.00 0.00 179.25 179.66 1a05 h VAL 350 N 0.52 1.30 -0.58 0.00 2.07 -0.81 0.15 116.25 118.90 1a05 h VAL 350 Ca 0.04 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 1a05 h VAL 350 Cb 0.92 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 1a05 h VAL 350 CO 0.08 0.47 0.29 0.58 0.02 0.00 0.00 177.57 179.02 1a05 h VAL 351 N 0.36 1.20 -0.14 2.57 2.07 -1.26 -1.62 116.25 119.44 1a05 h VAL 351 Ca 0.03 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1a05 h VAL 351 Cb 0.85 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1a05 h VAL 351 CO 0.07 0.23 -0.06 0.78 0.02 0.00 0.00 177.57 178.61 1a05 h ASN 352 N 0.79 0.29 0.03 0.57 -0.26 -1.07 -2.61 115.58 113.32 1a05 h ASN 352 Ca 0.20 -0.40 0.00 0.00 -0.56 0.00 0.00 56.30 55.54 1a05 h ASN 352 Cb 0.10 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1a05 h ASN 352 CO -0.03 0.63 0.00 0.00 -1.06 0.00 0.00 177.43 176.97 1a05 n ALA 353 N -2.36 1.31 0.40 -0.83 0.00 0.50 0.08 120.51 119.62 1a05 n ALA 353 Ca -0.06 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1a05 n ALA 353 Cb 0.28 -1.03 0.38 0.00 0.00 0.00 0.00 19.45 19.08 1a05 n ALA 353 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1a05 h LEU 354 N 0.00 0.00 -1.14 0.00 4.07 -0.89 -3.40 115.31 113.94 1a05 h LEU 354 Ca 0.00 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.47 1a05 h LEU 354 Cb 0.01 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.68 1a05 h LEU 354 CO 0.00 0.00 -0.79 0.59 -1.08 0.00 0.00 178.44 177.16 1a05 n ASN 355 N -2.68 -3.82 -4.73 -0.43 3.02 0.11 -4.90 115.26 101.85 1a05 n ASN 355 Ca 0.04 -0.86 -0.42 0.00 -0.03 0.00 0.00 54.58 53.31 1a05 n ASN 355 Cb 0.42 -3.56 -0.03 0.00 -0.61 0.00 0.00 39.78 36.01 1a05 n ASN 355 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a05 s LEU 356 N -7.21 4.37 0.00 3.41 1.43 -1.26 -5.17 118.68 114.25 1a05 s LEU 356 Ca 0.58 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 56.43 1a05 s LEU 356 Cb -0.30 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.31 1a05 s LEU 356 CO 0.86 -0.86 0.49 1.17 0.23 0.00 0.00 176.35 178.24