#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag6 s THR 2 N 0.00 4.19 0.10 3.17 2.01 -1.26 -4.97 115.64 118.87 3ag6 s THR 2 Ca 0.00 2.08 -0.24 0.00 0.31 0.00 0.00 61.69 63.84 3ag6 s THR 2 Cb 0.00 -4.32 -0.07 0.00 0.01 0.00 0.00 72.50 68.12 3ag6 s THR 2 CO 0.00 0.45 0.73 -0.54 -0.69 0.00 0.00 174.62 174.57 3ag6 s LYS 3 N -0.88 4.47 -0.39 4.92 1.02 -0.27 -4.91 119.74 123.70 3ag6 s LYS 3 Ca 0.42 1.04 -0.13 0.00 0.02 0.00 0.00 55.97 57.32 3ag6 s LYS 3 Cb -0.25 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 33.78 3ag6 s LYS 3 CO 0.31 0.48 0.26 -1.17 -0.92 0.00 0.00 175.35 174.31 3ag6 s LEU 4 N -0.73 4.91 -0.30 3.17 1.98 -1.26 -0.62 118.68 125.83 3ag6 s LEU 4 Ca 0.35 -0.90 -0.12 0.00 -2.89 0.00 0.00 54.13 50.58 3ag6 s LEU 4 Cb -0.21 -2.11 -0.04 0.00 0.66 0.00 0.00 46.19 44.49 3ag6 s LEU 4 CO 0.23 -0.41 0.20 -0.63 -1.89 0.00 0.00 176.35 173.86 3ag6 s ILE 5 N 1.64 5.25 -1.47 6.68 -1.09 -0.11 -4.97 121.20 127.12 3ag6 s ILE 5 Ca 0.04 -0.00 0.23 0.00 -2.23 0.00 0.00 60.65 58.69 3ag6 s ILE 5 Cb -0.19 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 3ag6 s ILE 5 CO 0.09 0.15 1.19 0.35 -1.23 0.00 0.00 174.94 175.49 3ag6 n THR 6 N 5.07 0.00 -4.27 2.92 -2.24 -1.26 -1.09 114.28 113.40 3ag6 n THR 6 Ca -0.14 -0.11 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 3ag6 n THR 6 Cb 0.51 0.82 -0.13 0.00 -2.10 0.00 0.00 70.33 69.43 3ag6 n THR 6 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ag6 s THR 7 N -2.74 1.17 0.16 4.28 -4.23 -1.26 -4.15 115.64 108.87 3ag6 s THR 7 Ca 0.15 -1.18 -0.16 0.00 -1.18 0.00 0.00 61.69 59.33 3ag6 s THR 7 Cb 0.18 -1.08 0.03 0.00 1.34 0.00 0.00 72.50 72.96 3ag6 s THR 7 CO 0.68 -0.10 1.77 0.58 -0.54 0.00 0.00 174.62 177.01 3ag6 h VAL 8 N 4.38 0.96 -0.28 2.29 2.07 -1.93 -0.85 116.25 122.88 3ag6 h VAL 8 Ca -0.40 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.05 3ag6 h VAL 8 Cb 1.18 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 3ag6 h VAL 8 CO 0.42 0.07 -0.15 0.50 0.02 0.00 0.00 177.57 178.43 3ag6 h LYS 9 N 0.38 -0.10 -0.52 1.57 3.11 -1.96 0.11 116.57 119.15 3ag6 h LYS 9 Ca 0.17 0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.91 3ag6 h LYS 9 Cb 0.09 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.33 3ag6 h LYS 9 CO -0.13 -0.07 -0.09 1.49 -2.81 0.00 0.00 179.45 177.84 3ag6 h GLU 10 N -0.11 0.98 -0.43 1.90 4.81 -1.93 -2.01 114.58 117.79 3ag6 h GLU 10 Ca 0.15 -0.36 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 3ag6 h GLU 10 Cb 0.33 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 3ag6 h GLU 10 CO -0.35 1.03 0.27 1.98 -0.73 0.00 0.00 179.01 181.21 3ag6 h MET 11 N 0.84 0.53 -0.64 1.92 4.05 -0.52 -1.09 114.93 120.01 3ag6 h MET 11 Ca 0.13 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.46 3ag6 h MET 11 Cb 0.65 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 3ag6 h MET 11 CO 0.04 0.35 0.14 1.96 0.23 0.00 0.00 176.91 179.63 3ag6 h GLN 12 N 0.55 1.03 -0.16 0.39 4.20 -0.73 -1.07 115.11 119.31 3ag6 h GLN 12 Ca 0.16 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.64 3ag6 h GLN 12 Cb -0.03 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3ag6 h GLN 12 CO -0.06 0.92 0.09 1.25 -0.67 0.00 0.00 178.83 180.37 3ag6 h HIS 13 N 0.97 0.17 -0.42 2.96 2.76 -0.95 0.52 115.15 121.17 3ag6 h HIS 13 Ca 0.20 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 3ag6 h HIS 13 Cb 0.37 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 3ag6 h HIS 13 CO 0.03 0.11 0.25 0.82 -1.30 0.00 0.00 177.93 177.83 3ag6 h ILE 14 N 0.19 1.14 -0.65 6.26 2.04 -0.96 -2.18 117.51 123.35 3ag6 h ILE 14 Ca 0.06 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3ag6 h ILE 14 Cb -0.01 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3ag6 h ILE 14 CO -0.03 0.14 0.31 0.58 0.00 0.00 0.00 178.15 179.15 3ag6 h VAL 15 N 0.55 1.22 -0.46 1.67 2.07 -0.91 -0.17 116.25 120.22 3ag6 h VAL 15 Ca 0.15 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.04 3ag6 h VAL 15 Cb 0.01 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3ag6 h VAL 15 CO -0.03 0.26 0.29 0.11 0.02 0.00 0.00 177.57 178.23 3ag6 h LYS 16 N 0.91 0.57 -0.72 1.57 1.57 -0.70 -0.51 116.57 119.26 3ag6 h LYS 16 Ca 0.22 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3ag6 h LYS 16 Cb 0.13 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3ag6 h LYS 16 CO -0.03 0.38 0.30 0.00 -0.57 0.00 0.00 179.45 179.53 3ag6 h ALA 17 N 1.19 1.16 -0.36 3.86 0.00 -1.08 -1.81 119.26 122.22 3ag6 h ALA 17 Ca 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ag6 h ALA 17 Cb -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3ag6 h ALA 17 CO -0.06 0.61 0.15 0.00 0.00 0.00 0.00 179.25 179.94 3ag6 h ALA 18 N 1.28 0.46 -0.29 0.00 0.00 -0.40 -2.53 119.26 117.78 3ag6 h ALA 18 Ca 0.24 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ag6 h ALA 18 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ag6 h ALA 18 CO -0.02 0.06 0.14 0.87 0.00 0.00 0.00 179.25 180.30 3ag6 h LYS 19 N 0.43 0.29 -0.32 0.00 1.79 -0.77 -0.94 116.57 117.06 3ag6 h LYS 19 Ca 0.12 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.63 3ag6 h LYS 19 Cb 0.18 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 3ag6 h LYS 19 CO -0.01 0.19 0.22 0.00 -1.08 0.00 0.00 179.45 178.78 3ag6 h ARG 20 N 0.30 0.16 -0.67 3.15 3.08 -1.21 -1.67 114.38 117.53 3ag6 h ARG 20 Ca 0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3ag6 h ARG 20 Cb 0.04 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3ag6 h ARG 20 CO -0.08 0.11 0.00 -1.13 -1.07 0.00 0.00 179.97 177.80 3ag6 n SER 21 N -4.48 3.95 -1.10 7.04 3.41 -0.84 -4.91 113.62 116.69 3ag6 n SER 21 Ca 0.04 -2.50 -0.13 0.00 -0.26 0.00 0.00 58.87 56.01 3ag6 n SER 21 Cb 0.27 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.61 3ag6 n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag6 n GLY 22 N 0.62 1.06 3.70 5.00 0.00 -0.63 -4.98 105.19 109.96 3ag6 n GLY 22 Ca 0.19 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3ag6 n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ag6 s THR 23 N -2.52 4.47 0.25 2.61 2.01 -0.42 -5.03 115.64 117.02 3ag6 s THR 23 Ca 0.00 1.77 -0.21 0.00 0.31 0.00 0.00 61.69 63.57 3ag6 s THR 23 Cb 0.00 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.29 3ag6 s THR 23 CO 0.00 0.08 0.77 0.42 -0.69 0.00 0.00 174.62 175.20 3ag6 s THR 24 N 1.51 4.50 -0.09 -0.82 -4.23 -1.26 -4.56 115.64 110.70 3ag6 s THR 24 Ca 0.54 1.37 0.02 0.00 -1.18 0.00 0.00 61.69 62.45 3ag6 s THR 24 Cb -0.24 -3.87 0.01 0.00 1.34 0.00 0.00 72.50 69.74 3ag6 s THR 24 CO 0.25 0.17 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.71 3ag6 s ILE 25 N -1.57 1.49 -0.05 2.99 1.01 -1.26 -2.39 121.20 121.41 3ag6 s ILE 25 Ca 0.45 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 3ag6 s ILE 25 Cb -0.17 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3ag6 s ILE 25 CO 0.21 0.44 0.05 -0.83 0.00 0.00 0.00 174.94 174.81 3ag6 s GLY 26 N 0.76 1.96 -0.02 6.18 0.00 -0.48 -0.19 107.32 115.54 3ag6 s GLY 26 Ca -0.12 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.79 3ag6 s GLY 26 CO 0.02 -0.63 -0.02 -0.12 0.00 0.00 0.00 173.10 172.35 3ag6 s PHE 27 N -1.04 0.36 -0.34 1.90 5.36 0.00 -1.09 117.98 123.12 3ag6 s PHE 27 Ca 0.18 -0.05 0.02 0.00 -0.96 0.00 0.00 56.93 56.12 3ag6 s PHE 27 Cb -0.12 -0.34 0.10 0.00 -0.34 0.00 0.00 43.02 42.32 3ag6 s PHE 27 CO 0.08 -0.08 0.09 0.42 -1.46 0.00 0.00 175.22 174.27 3ag6 s ILE 28 N 0.52 1.60 0.07 3.12 1.09 -0.23 -0.85 121.20 126.52 3ag6 s ILE 28 Ca -0.05 -1.98 -0.30 0.00 -1.10 0.00 0.00 60.65 57.22 3ag6 s ILE 28 Cb -0.08 -2.18 -0.05 0.00 -1.06 0.00 0.00 42.46 39.08 3ag6 s ILE 28 CO -0.01 -0.66 1.03 -2.16 -0.10 0.00 0.00 174.94 173.04 3ag6 s PRO 29 N 1.14 4.58 0.22 2.79 0.04 -1.26 -2.18 135.00 140.33 3ag6 s PRO 29 Ca 0.11 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 62.62 3ag6 s PRO 29 Cb -0.19 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 3ag6 s PRO 29 CO -0.15 0.01 0.32 0.95 0.04 0.00 0.00 177.00 178.17 3ag6 s THR 30 N 0.51 0.01 -0.22 1.26 -4.23 -0.26 -4.92 115.64 107.79 3ag6 s THR 30 Ca 0.51 -1.66 0.15 0.00 -1.18 0.00 0.00 61.69 59.51 3ag6 s THR 30 Cb -0.25 -2.30 0.60 0.00 1.34 0.00 0.00 72.50 71.89 3ag6 s THR 30 CO 0.30 -0.03 1.52 0.23 -0.54 0.00 0.00 174.62 176.10 3ag6 n MET 31 N -0.32 3.19 0.00 3.99 2.81 -1.26 -1.69 117.12 123.84 3ag6 n MET 31 Ca -0.01 -2.96 0.00 0.00 -1.81 0.00 0.00 57.70 52.93 3ag6 n MET 31 Cb 0.64 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3ag6 n MET 31 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ag6 n GLY 32 N -0.37 -1.94 3.64 3.03 0.00 -1.26 -4.50 105.19 103.78 3ag6 n GLY 32 Ca 0.26 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 3ag6 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag6 n ALA 33 N 0.29 -2.43 -1.77 4.61 0.00 -1.26 -4.87 120.51 115.07 3ag6 n ALA 33 Ca 0.00 -0.18 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 3ag6 n ALA 33 Cb 0.00 -3.91 -0.02 0.00 0.00 0.00 0.00 19.45 15.52 3ag6 n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ag6 s LEU 34 N -6.38 4.21 0.42 0.00 1.43 -1.26 -4.52 118.68 112.57 3ag6 s LEU 34 Ca 0.38 2.42 0.04 0.00 -1.03 0.00 0.00 54.13 55.94 3ag6 s LEU 34 Cb -0.12 -3.98 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 3ag6 s LEU 34 CO 0.84 -0.71 0.14 -1.38 0.23 0.00 0.00 176.35 175.47 3ag6 s HIS 35 N -1.37 1.78 0.67 0.29 -3.43 -1.26 -4.98 115.29 106.99 3ag6 s HIS 35 Ca 0.57 -1.34 0.44 0.00 -0.80 0.00 0.00 55.06 53.93 3ag6 s HIS 35 Cb -0.33 -1.14 2.40 0.00 -1.43 0.00 0.00 32.58 32.09 3ag6 s HIS 35 CO 0.41 -0.35 2.36 0.22 -2.00 0.00 0.00 174.74 175.38 3ag6 h ASP 36 N 1.74 0.00 -0.06 7.38 -0.00 -1.97 -0.83 116.42 122.68 3ag6 h ASP 36 Ca -0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 56.69 3ag6 h ASP 36 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.60 3ag6 h ASP 36 CO 0.54 0.00 0.03 1.23 -0.00 0.00 0.00 179.24 181.04 3ag6 h GLY 37 N 0.00 0.09 0.86 -0.78 0.00 -1.92 0.04 103.07 101.36 3ag6 h GLY 37 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3ag6 h GLY 37 CO -0.00 0.04 0.06 0.45 0.00 0.00 0.00 176.54 177.09 3ag6 h HIS 38 N -0.03 0.34 -0.08 5.60 3.86 -1.59 -3.04 115.15 120.20 3ag6 h HIS 38 Ca 0.02 -0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3ag6 h HIS 38 Cb 0.12 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 3ag6 h HIS 38 CO -0.03 0.42 0.06 -0.07 0.86 0.00 0.00 177.93 179.17 3ag6 h LEU 39 N 0.16 0.06 -0.75 2.43 3.38 -1.15 -1.11 115.31 118.32 3ag6 h LEU 39 Ca 0.07 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3ag6 h LEU 39 Cb 0.25 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3ag6 h LEU 39 CO -0.00 0.05 0.30 0.74 0.09 0.00 0.00 178.44 179.62 3ag6 h THR 40 N 0.08 1.25 -0.40 0.22 2.02 -0.87 0.12 112.91 115.34 3ag6 h THR 40 Ca 0.03 -0.80 -0.15 0.00 0.77 0.00 0.00 66.41 66.27 3ag6 h THR 40 Cb 0.04 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3ag6 h THR 40 CO -0.01 0.32 -0.34 0.24 0.37 0.00 0.00 175.52 176.11 3ag6 h MET 41 N 1.09 0.91 -0.39 6.66 2.86 -1.25 -2.38 114.93 122.43 3ag6 h MET 41 Ca 0.25 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 3ag6 h MET 41 Cb 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3ag6 h MET 41 CO -0.02 1.10 0.19 0.28 1.06 0.00 0.00 176.91 179.52 3ag6 h VAL 42 N 0.76 1.17 -0.31 -2.22 2.07 -0.93 -2.00 116.25 114.78 3ag6 h VAL 42 Ca 0.07 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.16 3ag6 h VAL 42 Cb 0.91 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3ag6 h VAL 42 CO 0.08 0.18 0.11 0.03 0.02 0.00 0.00 177.57 177.99 3ag6 h ARG 43 N 0.49 0.24 -0.42 1.57 3.08 -0.68 0.06 114.38 118.73 3ag6 h ARG 43 Ca 0.13 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.23 3ag6 h ARG 43 Cb 0.11 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 3ag6 h ARG 43 CO -0.02 0.16 0.11 1.49 -1.07 0.00 0.00 179.97 180.64 3ag6 h GLU 44 N 0.25 0.24 -0.47 0.04 4.57 -1.23 -1.96 114.58 116.02 3ag6 h GLU 44 Ca 0.14 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 3ag6 h GLU 44 Cb 0.11 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3ag6 h GLU 44 CO -0.14 0.16 0.20 1.03 -1.18 0.00 0.00 179.01 179.08 3ag6 h SER 45 N 0.25 0.64 0.01 1.04 0.87 -0.85 -2.73 113.55 112.79 3ag6 h SER 45 Ca 0.20 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3ag6 h SER 45 Cb 0.23 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3ag6 h SER 45 CO -0.24 0.62 -0.04 0.58 -0.53 0.00 0.00 176.83 177.22 3ag6 h VAL 46 N 0.62 1.06 -0.00 2.23 2.07 -0.61 0.16 116.25 121.79 3ag6 h VAL 46 Ca 0.16 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3ag6 h VAL 46 Cb 0.17 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3ag6 h VAL 46 CO -0.02 0.08 -0.12 -1.54 0.02 0.00 0.00 177.57 176.00 3ag6 n SER 47 N -4.45 0.13 -0.01 0.57 3.41 -0.77 -4.38 113.62 108.11 3ag6 n SER 47 Ca -0.02 0.25 -0.02 0.00 -0.26 0.00 0.00 58.87 58.82 3ag6 n SER 47 Cb 0.15 -0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 3ag6 n SER 47 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ag6 n THR 48 N -1.46 0.12 -3.54 6.66 -2.24 -0.57 -5.08 114.28 108.16 3ag6 n THR 48 Ca 0.07 -0.04 -0.28 0.00 -2.27 0.00 0.00 64.05 61.53 3ag6 n THR 48 Cb 0.33 -0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 67.57 3ag6 n THR 48 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3ag6 s ASN 49 N -4.60 6.42 0.17 3.42 -0.87 0.45 -5.01 114.94 114.93 3ag6 s ASN 49 Ca -0.03 0.56 -0.14 0.00 -1.57 0.00 0.00 52.86 51.68 3ag6 s ASN 49 Cb 0.01 -2.08 0.06 0.00 -0.02 0.00 0.00 41.25 39.23 3ag6 s ASN 49 CO 0.04 -0.10 1.81 0.44 -2.57 0.00 0.00 177.10 176.73 3ag6 h ASP 50 N 1.95 0.64 -4.61 -1.22 3.45 -1.81 -3.44 116.42 111.38 3ag6 h ASP 50 Ca -0.48 -0.05 -0.35 0.00 0.43 0.00 0.00 57.03 56.59 3ag6 h ASP 50 Cb 1.19 -0.16 -0.21 0.00 -0.56 0.00 0.00 39.33 39.58 3ag6 h ASP 50 CO 0.68 0.50 -0.76 0.27 -1.57 0.00 0.00 179.24 178.36 3ag6 s ILE 51 N -6.02 0.83 -0.09 0.35 -4.36 -1.01 -4.99 121.20 105.91 3ag6 s ILE 51 Ca -0.13 -1.18 0.03 0.00 -0.26 0.00 0.00 60.65 59.11 3ag6 s ILE 51 Cb 0.12 -0.84 0.01 0.00 1.25 0.00 0.00 42.46 43.00 3ag6 s ILE 51 CO 0.75 -0.29 -0.17 -0.89 0.24 0.00 0.00 174.94 174.58 3ag6 s THR 52 N -1.30 1.57 -0.11 8.37 2.01 -1.26 -1.38 115.64 123.54 3ag6 s THR 52 Ca -0.06 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.25 3ag6 s THR 52 Cb -0.10 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 3ag6 s THR 52 CO 0.01 0.45 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.59 3ag6 s ILE 53 N 0.67 2.62 -0.19 1.82 1.01 -0.25 -1.95 121.20 124.92 3ag6 s ILE 53 Ca -0.13 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.70 3ag6 s ILE 53 Cb -0.16 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.28 3ag6 s ILE 53 CO 0.04 0.55 -0.18 -0.69 0.00 0.00 0.00 174.94 174.65 3ag6 s VAL 54 N 0.22 2.20 -0.01 2.92 1.01 -0.03 -1.07 120.40 125.64 3ag6 s VAL 54 Ca -0.12 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 3ag6 s VAL 54 Cb -0.16 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3ag6 s VAL 54 CO 0.06 0.49 0.34 -0.94 0.00 0.00 0.00 175.10 175.06 3ag6 s SER 55 N 1.30 6.67 -0.27 3.32 1.04 -0.93 -0.40 113.70 124.43 3ag6 s SER 55 Ca 0.04 0.80 0.01 0.00 0.48 0.00 0.00 55.95 57.29 3ag6 s SER 55 Cb -0.14 -2.19 0.08 0.00 0.10 0.00 0.00 66.02 63.87 3ag6 s SER 55 CO -0.12 0.31 -0.01 -0.69 0.98 0.00 0.00 173.24 173.71 3ag6 s VAL 56 N -1.15 1.65 -0.25 5.02 1.01 0.42 -1.10 120.40 126.01 3ag6 s VAL 56 Ca 0.24 -1.54 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 3ag6 s VAL 56 Cb -0.15 -2.02 0.14 0.00 0.00 0.00 0.00 36.38 34.35 3ag6 s VAL 56 CO 0.13 -0.30 0.46 0.12 0.00 0.00 0.00 175.10 175.50 3ag6 s PHE 57 N 1.29 -1.04 -0.77 5.22 5.36 -0.68 -4.34 117.98 123.02 3ag6 s PHE 57 Ca 0.00 1.28 -0.27 0.00 -0.96 0.00 0.00 56.93 56.99 3ag6 s PHE 57 Cb -0.19 0.26 0.03 0.00 -0.34 0.00 0.00 43.02 42.78 3ag6 s PHE 57 CO -0.10 -0.71 1.33 0.08 -1.46 0.00 0.00 175.22 174.36 3ag6 s VAL 58 N 2.66 3.73 -0.44 3.12 1.01 -1.26 -4.36 120.40 124.85 3ag6 s VAL 58 Ca 0.11 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 62.07 3ag6 s VAL 58 Cb -0.14 -4.89 -0.01 0.00 0.00 0.00 0.00 36.38 31.33 3ag6 s VAL 58 CO -0.17 -1.82 1.75 0.21 0.00 0.00 0.00 175.10 175.07 3ag6 s ASN 59 N 4.09 5.77 0.56 3.32 2.47 -1.26 -4.87 114.94 125.02 3ag6 s ASN 59 Ca 0.38 0.90 0.24 0.00 0.42 0.00 0.00 52.86 54.80 3ag6 s ASN 59 Cb -0.07 -2.53 1.59 0.00 -1.45 0.00 0.00 41.25 38.78 3ag6 s ASN 59 CO 0.12 -1.88 2.20 1.55 -3.72 0.00 0.00 177.10 175.38 3ag6 h PRO 60 N 13.16 0.00 0.00 0.43 0.13 -1.95 -2.27 132.00 141.50 3ag6 h PRO 60 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3ag6 h PRO 60 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3ag6 h PRO 60 CO 1.10 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.80 3ag6 h LEU 61 N 0.00 0.00 -3.30 1.56 3.38 -1.90 -2.76 115.31 112.29 3ag6 h LEU 61 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ag6 h LEU 61 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ag6 h LEU 61 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3ag6 n GLN 62 N -2.97 3.96 -5.13 1.13 10.64 -0.85 -4.17 117.38 119.98 3ag6 n GLN 62 Ca -0.01 -2.93 -0.30 0.00 -1.83 0.00 0.00 57.00 51.93 3ag6 n GLN 62 Cb 0.21 -1.98 -0.17 0.00 -0.86 0.00 0.00 30.24 27.44 3ag6 n GLN 62 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3ag6 s PHE 63 N -2.31 2.28 0.54 2.61 0.40 -1.04 -4.76 117.98 115.69 3ag6 s PHE 63 Ca 0.49 -0.77 -0.04 0.00 -0.60 0.00 0.00 56.93 56.01 3ag6 s PHE 63 Cb 0.35 -1.52 0.00 0.00 0.51 0.00 0.00 43.02 42.37 3ag6 s PHE 63 CO 0.18 -0.27 0.82 0.20 0.70 0.00 0.00 175.22 176.84 3ag6 s GLY 64 N 0.08 1.60 0.55 4.36 0.00 -1.26 -4.98 107.32 107.67 3ag6 s GLY 64 Ca -0.09 -0.83 0.23 0.00 0.00 0.00 0.00 44.72 44.02 3ag6 s GLY 64 CO 0.05 -0.59 2.20 -2.55 0.00 0.00 0.00 173.10 172.20 3ag6 h PRO 65 N 0.04 0.00 -0.02 2.90 0.11 -2.00 -2.35 132.00 130.67 3ag6 h PRO 65 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ag6 h PRO 65 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ag6 h PRO 65 CO 0.59 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 3ag6 n ASN 66 N -4.20 1.23 -0.62 -2.05 6.94 -1.26 -4.94 115.26 110.36 3ag6 n ASN 66 Ca -0.03 -1.43 0.00 0.00 -0.02 0.00 0.00 54.58 53.10 3ag6 n ASN 66 Cb 0.10 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 3ag6 n ASN 66 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3ag6 n GLU 67 N -0.03 3.33 -1.06 -3.83 1.02 -0.89 -5.03 120.64 114.15 3ag6 n GLU 67 Ca 0.20 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.18 3ag6 n GLU 67 Cb 0.31 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 31.92 3ag6 n GLU 67 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ag6 n ASP 68 N 0.00 3.38 -0.32 1.62 5.75 -1.26 -4.73 116.55 120.99 3ag6 n ASP 68 Ca 0.00 -3.63 0.05 0.00 -0.01 0.00 0.00 54.79 51.19 3ag6 n ASP 68 Cb 0.00 -0.76 0.20 0.00 -1.03 0.00 0.00 41.12 39.53 3ag6 n ASP 68 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3ag6 h PHE 69 N 1.14 0.99 0.00 2.11 3.57 -1.95 -1.05 116.94 121.75 3ag6 h PHE 69 Ca 0.46 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.88 3ag6 h PHE 69 Cb 2.39 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 40.81 3ag6 h PHE 69 CO 1.37 0.40 -0.51 -0.44 -2.23 0.00 0.00 178.31 176.90 3ag6 h ASP 70 N 0.89 0.00 0.27 0.41 3.32 -1.98 -3.21 116.42 116.12 3ag6 h ASP 70 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3ag6 h ASP 70 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3ag6 h ASP 70 CO -0.25 0.51 -0.81 0.00 -1.72 0.00 0.00 179.24 176.97 3ag6 n ALA 71 N -2.39 4.03 -1.64 3.45 0.00 -0.88 -4.96 120.51 118.12 3ag6 n ALA 71 Ca -0.01 -0.46 -0.53 0.00 0.00 0.00 0.00 53.44 52.44 3ag6 n ALA 71 Cb 0.55 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 3ag6 n ALA 71 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3ag6 n TYR 72 N -1.58 1.81 -1.68 0.00 4.19 -0.45 -4.82 117.16 114.64 3ag6 n TYR 72 Ca 0.04 0.52 -0.45 0.00 3.31 0.00 0.00 57.90 61.32 3ag6 n TYR 72 Cb 0.35 -2.42 -0.04 0.00 0.49 0.00 0.00 39.34 37.73 3ag6 n TYR 72 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3ag6 n PRO 73 N 3.72 2.33 -3.91 2.98 -0.04 -1.26 -4.99 135.00 133.84 3ag6 n PRO 73 Ca 0.21 0.84 -0.28 0.00 -0.04 0.00 0.00 63.50 64.23 3ag6 n PRO 73 Cb 0.19 -2.64 -0.17 0.00 -0.04 0.00 0.00 33.50 30.85 3ag6 n PRO 73 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3ag6 s ARG 74 N 1.25 1.53 -0.45 0.54 0.52 -1.26 -4.35 118.95 116.72 3ag6 s ARG 74 Ca 0.79 -0.47 0.07 0.00 -0.52 0.00 0.00 55.73 55.60 3ag6 s ARG 74 Cb -0.63 -1.92 0.28 0.00 0.52 0.00 0.00 34.95 33.20 3ag6 s ARG 74 CO 0.37 -0.38 0.90 0.00 0.02 0.00 0.00 175.30 176.21 3ag6 n GLN 75 N 4.88 0.87 -0.31 3.54 10.64 -1.26 -5.02 117.38 130.73 3ag6 n GLN 75 Ca -0.12 -2.20 0.03 0.00 -1.83 0.00 0.00 57.00 52.88 3ag6 n GLN 75 Cb 0.48 -1.31 0.17 0.00 -0.86 0.00 0.00 30.24 28.73 3ag6 n GLN 75 CO 0.00 0.00 0.00 0.97 -1.83 0.00 0.00 177.06 176.20 3ag6 h ILE 76 N 2.63 0.94 -0.73 -0.39 6.09 -1.98 -1.16 117.51 122.91 3ag6 h ILE 76 Ca -0.07 -0.30 0.07 0.00 -1.37 0.00 0.00 64.86 63.19 3ag6 h ILE 76 Cb 1.03 -0.00 -0.06 0.00 0.47 0.00 0.00 36.82 38.26 3ag6 h ILE 76 CO 0.30 0.16 0.41 0.44 -3.07 0.00 0.00 178.15 176.39 3ag6 h ASP 77 N 0.86 0.62 -0.29 2.19 5.19 -1.99 0.25 116.42 123.25 3ag6 h ASP 77 Ca 0.41 0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.78 3ag6 h ASP 77 Cb 0.35 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 3ag6 h ASP 77 CO -0.24 0.39 -0.09 0.50 -3.12 0.00 0.00 179.24 176.69 3ag6 h LYS 78 N 0.75 0.57 -0.66 3.56 3.11 -1.81 -2.45 116.57 119.64 3ag6 h LYS 78 Ca 0.33 -0.23 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 3ag6 h LYS 78 Cb 0.21 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.38 3ag6 h LYS 78 CO -0.19 0.78 0.39 -0.44 -2.81 0.00 0.00 179.45 177.17 3ag6 h ASP 79 N 0.33 0.81 -0.72 4.20 3.32 -0.53 -1.88 116.42 121.95 3ag6 h ASP 79 Ca 0.07 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3ag6 h ASP 79 Cb 0.58 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 3ag6 h ASP 79 CO 0.03 0.64 0.47 0.25 -1.72 0.00 0.00 179.24 178.91 3ag6 h LEU 80 N 0.90 0.80 -0.02 1.55 7.12 -0.44 -1.58 115.31 123.64 3ag6 h LEU 80 Ca 0.24 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.23 3ag6 h LEU 80 Cb -0.01 -0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 39.93 3ag6 h LEU 80 CO -0.04 0.57 0.01 -0.08 -0.13 0.00 0.00 178.44 178.77 3ag6 h GLU 81 N 0.94 0.03 -0.96 1.25 4.81 -1.00 -0.31 114.58 119.35 3ag6 h GLU 81 Ca 0.27 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.53 3ag6 h GLU 81 Cb -0.07 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 3ag6 h GLU 81 CO -0.07 0.14 0.63 -0.07 -0.73 0.00 0.00 179.01 178.91 3ag6 h LEU 82 N -0.09 1.05 -0.52 1.64 3.38 -1.15 -1.78 115.31 117.84 3ag6 h LEU 82 Ca 0.01 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3ag6 h LEU 82 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ag6 h LEU 82 CO -0.00 0.73 -0.41 0.58 0.09 0.00 0.00 178.44 179.43 3ag6 h VAL 83 N 1.23 1.29 -0.75 1.22 2.07 -1.15 -3.03 116.25 117.11 3ag6 h VAL 83 Ca 0.38 -1.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 3ag6 h VAL 83 Cb -0.03 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3ag6 h VAL 83 CO -0.11 0.52 0.36 0.28 0.02 0.00 0.00 177.57 178.63 3ag6 h SER 84 N 0.61 0.98 0.25 0.57 0.02 -0.50 -2.24 113.55 113.23 3ag6 h SER 84 Ca 0.05 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3ag6 h SER 84 Cb 0.96 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 3ag6 h SER 84 CO 0.09 0.83 -0.09 -0.08 -1.14 0.00 0.00 176.83 176.43 3ag6 h GLU 85 N 1.07 0.00 -0.01 3.45 4.22 -1.22 -2.11 114.58 119.98 3ag6 h GLU 85 Ca 0.26 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.70 3ag6 h GLU 85 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3ag6 h GLU 85 CO -0.03 0.09 -0.65 1.33 -2.18 0.00 0.00 179.01 177.57 3ag6 n VAL 86 N -3.78 0.00 -0.27 0.32 0.24 -0.89 -4.99 118.33 108.96 3ag6 n VAL 86 Ca -0.02 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 3ag6 n VAL 86 Cb 0.20 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 3ag6 n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ag6 n GLY 87 N 1.45 0.88 3.77 7.63 0.00 -0.80 -4.85 105.19 113.28 3ag6 n GLY 87 Ca 0.07 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 3ag6 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag6 s ALA 88 N -2.00 3.17 -0.01 4.61 0.00 -0.93 -4.88 121.76 121.72 3ag6 s ALA 88 Ca 0.00 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.78 3ag6 s ALA 88 Cb 0.00 -3.40 -0.33 0.00 0.00 0.00 0.00 23.12 19.40 3ag6 s ALA 88 CO 0.00 -0.57 0.96 -0.44 0.00 0.00 0.00 175.76 175.71 3ag6 h ASP 89 N 2.65 0.67 -4.66 0.00 3.32 -1.74 -3.39 116.42 113.27 3ag6 h ASP 89 Ca -0.49 -0.92 -0.18 0.00 0.02 0.00 0.00 57.03 55.46 3ag6 h ASP 89 Cb 1.24 -0.22 -0.23 0.00 0.22 0.00 0.00 39.33 40.34 3ag6 h ASP 89 CO 0.63 1.54 -0.65 -0.63 -1.72 0.00 0.00 179.24 178.41 3ag6 s ILE 90 N -2.57 0.08 -0.20 0.35 1.01 -0.99 -1.11 121.20 117.77 3ag6 s ILE 90 Ca -0.11 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.92 3ag6 s ILE 90 Cb 0.03 -0.24 0.03 0.00 0.01 0.00 0.00 42.46 42.28 3ag6 s ILE 90 CO 0.89 -0.35 -0.17 -0.69 0.00 0.00 0.00 174.94 174.62 3ag6 s VAL 91 N -1.06 2.06 -0.32 2.92 1.01 0.21 -0.85 120.40 124.37 3ag6 s VAL 91 Ca -0.12 -1.13 -0.18 0.00 0.00 0.00 0.00 61.98 60.55 3ag6 s VAL 91 Cb -0.07 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 3ag6 s VAL 91 CO -0.00 0.37 0.53 0.12 0.00 0.00 0.00 175.10 176.12 3ag6 s PHE 92 N 1.25 3.20 -0.55 5.22 5.36 0.46 -0.93 117.98 131.99 3ag6 s PHE 92 Ca 0.01 0.35 0.06 0.00 -0.96 0.00 0.00 56.93 56.39 3ag6 s PHE 92 Cb -0.15 -2.90 0.22 0.00 -0.34 0.00 0.00 43.02 39.85 3ag6 s PHE 92 CO -0.11 -0.47 0.58 1.58 -1.46 0.00 0.00 175.22 175.34 3ag6 n HIS 93 N 5.73 1.81 -1.79 10.12 -0.00 -0.25 -0.43 115.22 130.41 3ag6 n HIS 93 Ca -0.04 -3.90 -0.31 0.00 -0.00 0.00 0.00 57.72 53.47 3ag6 n HIS 93 Cb 0.49 -0.40 0.02 0.00 -0.00 0.00 0.00 29.99 30.11 3ag6 n HIS 93 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3ag6 s PRO 94 N -1.56 3.39 0.48 1.57 0.04 -1.26 -4.52 135.00 133.13 3ag6 s PRO 94 Ca 0.35 0.80 -0.19 0.00 0.04 0.00 0.00 61.00 62.00 3ag6 s PRO 94 Cb 0.10 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 3ag6 s PRO 94 CO -0.10 -0.74 0.98 0.00 0.04 0.00 0.00 177.00 177.18 3ag6 s ALA 95 N -3.15 3.03 0.26 8.56 0.00 -1.26 -4.96 121.76 124.24 3ag6 s ALA 95 Ca 0.56 0.31 -0.05 0.00 0.00 0.00 0.00 51.96 52.79 3ag6 s ALA 95 Cb -0.12 -3.15 0.31 0.00 0.00 0.00 0.00 23.12 20.16 3ag6 s ALA 95 CO 0.54 -0.10 1.88 0.28 0.00 0.00 0.00 175.76 178.36 3ag6 h VAL 96 N 1.38 1.24 0.00 0.00 2.07 -1.97 -2.20 116.25 116.78 3ag6 h VAL 96 Ca -0.48 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 3ag6 h VAL 96 Cb 1.19 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3ag6 h VAL 96 CO 0.61 0.27 -0.28 -0.08 0.02 0.00 0.00 177.57 178.11 3ag6 h GLU 97 N 1.15 0.00 -0.22 1.57 4.81 -1.93 -0.52 114.58 119.44 3ag6 h GLU 97 Ca 0.29 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.36 3ag6 h GLU 97 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3ag6 h GLU 97 CO -0.05 0.28 -0.50 0.22 -0.73 0.00 0.00 179.01 178.23 3ag6 h ASP 98 N 0.00 0.81 -0.18 1.04 3.58 -1.79 0.18 116.42 120.06 3ag6 h ASP 98 Ca -0.00 -0.56 -0.19 0.00 0.42 0.00 0.00 57.03 56.69 3ag6 h ASP 98 Cb 0.65 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.47 3ag6 h ASP 98 CO 0.04 1.23 -0.63 0.24 -2.88 0.00 0.00 179.24 177.24 3ag6 h MET 99 N 0.44 0.79 -2.14 0.28 2.86 -1.28 -3.36 114.93 112.51 3ag6 h MET 99 Ca -0.00 -0.55 -0.59 0.00 -2.06 0.00 0.00 59.70 56.50 3ag6 h MET 99 Cb 1.11 0.08 -0.41 0.00 0.06 0.00 0.00 31.60 32.44 3ag6 h MET 99 CO 0.11 1.17 -0.74 0.66 1.06 0.00 0.00 176.91 179.17 3ag6 n TYR 100 N -3.97 2.57 0.32 -0.22 4.02 -0.22 -4.96 117.16 114.70 3ag6 n TYR 100 Ca -0.05 -3.99 0.11 0.00 -0.01 0.00 0.00 57.90 53.96 3ag6 n TYR 100 Cb 0.67 -0.50 0.57 0.00 -0.02 0.00 0.00 39.34 40.06 3ag6 n TYR 100 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3ag6 h PRO 101 N 4.05 0.00 0.00 -0.72 0.13 -0.81 -3.42 132.00 131.23 3ag6 h PRO 101 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3ag6 h PRO 101 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3ag6 h PRO 101 CO 0.73 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.91 3ag6 n GLY 102 N -1.29 1.93 3.72 1.56 0.00 -1.26 -5.02 105.19 104.82 3ag6 n GLY 102 Ca -0.01 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 3ag6 n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ag6 s GLU 103 N 0.89 4.41 0.38 1.61 2.56 -1.26 -4.96 118.70 122.32 3ag6 s GLU 103 Ca 0.00 1.88 -0.27 0.00 0.00 0.00 0.00 54.97 56.58 3ag6 s GLU 103 Cb 0.00 -3.30 -0.10 0.00 2.00 0.00 0.00 34.13 32.74 3ag6 s GLU 103 CO 0.00 -0.28 1.36 -0.51 -0.56 0.00 0.00 175.26 175.27 3ag6 s LEU 104 N 0.85 4.31 0.00 2.70 1.43 -1.26 -4.91 118.68 121.79 3ag6 s LEU 104 Ca 0.59 2.79 0.21 0.00 -1.03 0.00 0.00 54.13 56.70 3ag6 s LEU 104 Cb -0.32 -3.76 -0.21 0.00 0.03 0.00 0.00 46.19 41.93 3ag6 s LEU 104 CO 0.31 -0.78 0.91 0.61 0.23 0.00 0.00 176.35 177.63 3ag6 n GLY 105 N 0.65 -0.91 3.10 -3.19 0.00 -1.26 -4.89 105.19 98.69 3ag6 n GLY 105 Ca 0.02 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 3ag6 n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ag6 s ILE 106 N -2.95 1.13 -0.04 -0.61 -1.09 -1.26 -5.15 121.20 111.23 3ag6 s ILE 106 Ca 0.09 -0.59 0.06 0.00 -2.23 0.00 0.00 60.65 57.98 3ag6 s ILE 106 Cb 0.16 -0.95 -0.01 0.00 -1.58 0.00 0.00 42.46 40.08 3ag6 s ILE 106 CO 0.84 0.32 -0.24 -1.81 -1.23 0.00 0.00 174.94 172.83 3ag6 s ASP 107 N -0.18 2.89 -0.16 3.58 1.11 -1.26 -5.12 116.67 117.53 3ag6 s ASP 107 Ca 0.02 -0.47 -0.01 0.00 0.18 0.00 0.00 52.55 52.27 3ag6 s ASP 107 Cb -0.07 -0.66 -0.01 0.00 1.07 0.00 0.00 42.92 43.25 3ag6 s ASP 107 CO 0.00 0.25 -0.10 -0.69 1.18 0.00 0.00 175.17 175.81 3ag6 s VAL 108 N -0.26 3.20 -0.01 -1.27 1.01 -1.26 -5.11 120.40 116.70 3ag6 s VAL 108 Ca 0.00 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3ag6 s VAL 108 Cb -0.12 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 3ag6 s VAL 108 CO 0.02 0.50 -0.07 -0.54 0.00 0.00 0.00 175.10 175.01 3ag6 s LYS 109 N 0.65 0.59 0.32 2.72 1.02 -1.26 -4.77 119.74 119.01 3ag6 s LYS 109 Ca -0.06 -0.24 -0.26 0.00 0.02 0.00 0.00 55.97 55.43 3ag6 s LYS 109 Cb -0.15 -0.58 -0.10 0.00 -0.52 0.00 0.00 37.83 36.49 3ag6 s LYS 109 CO 0.03 0.14 0.97 0.08 -0.92 0.00 0.00 175.35 175.64 3ag6 s VAL 110 N -0.09 4.09 0.00 3.17 1.01 -1.26 -5.05 120.40 122.27 3ag6 s VAL 110 Ca 0.02 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3ag6 s VAL 110 Cb -0.04 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.36 3ag6 s VAL 110 CO -0.00 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.87 3ag6 n GLY 111 N 0.64 1.07 0.42 4.51 0.00 -1.26 -4.71 105.19 105.85 3ag6 n GLY 111 Ca 0.02 -1.06 0.28 0.00 0.00 0.00 0.00 46.02 45.26 3ag6 n GLY 111 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ag6 h PRO 112 N 0.00 0.26 -0.02 1.61 0.11 -2.00 -1.07 132.00 130.89 3ag6 h PRO 112 Ca 0.00 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.10 3ag6 h PRO 112 Cb 0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 3ag6 h PRO 112 CO 0.00 0.17 0.03 -0.07 -0.21 0.00 0.00 178.00 177.92 3ag6 h LEU 113 N 0.27 0.00 -2.44 2.35 3.38 -1.91 -0.90 115.31 116.06 3ag6 h LEU 113 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.67 3ag6 h LEU 113 Cb 1.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 3ag6 h LEU 113 CO -0.39 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.14 3ag6 n ALA 114 N -2.24 2.41 1.33 1.53 0.00 -0.40 -4.27 120.51 118.86 3ag6 n ALA 114 Ca -0.03 -1.10 0.13 0.00 0.00 0.00 0.00 53.44 52.45 3ag6 n ALA 114 Cb 0.11 -0.91 0.47 0.00 0.00 0.00 0.00 19.45 19.12 3ag6 n ALA 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ag6 n ASP 115 N 1.53 0.93 -4.40 0.00 8.00 -0.34 -3.50 116.55 118.76 3ag6 n ASP 115 Ca 0.21 -0.89 -0.20 0.00 0.71 0.00 0.00 54.79 54.63 3ag6 n ASP 115 Cb 0.61 0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.66 3ag6 n ASP 115 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3ag6 s VAL 116 N -2.42 1.04 0.00 2.53 -7.23 -1.26 -4.37 120.40 108.69 3ag6 s VAL 116 Ca 0.28 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 3ag6 s VAL 116 Cb 0.20 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.44 3ag6 s VAL 116 CO 0.48 -0.05 0.00 0.18 -0.31 0.00 0.00 175.10 175.40 3ag6 n LEU 117 N -0.60 0.00 0.27 1.32 4.77 -1.26 -0.70 117.00 120.80 3ag6 n LEU 117 Ca -0.02 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 3ag6 n LEU 117 Cb 0.66 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.49 3ag6 n LEU 117 CO 0.41 0.00 1.08 -0.33 -1.33 0.00 0.00 177.39 177.22 3ag6 h GLU 118 N 0.00 0.00 -0.28 3.23 4.39 -1.94 -1.52 114.58 118.46 3ag6 h GLU 118 Ca 0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 3ag6 h GLU 118 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3ag6 h GLU 118 CO 0.00 0.01 -0.37 0.78 -1.16 0.00 0.00 179.01 178.28 3ag6 h GLY 119 N 0.05 0.68 1.32 -3.84 0.00 -1.09 0.11 103.07 100.31 3ag6 h GLY 119 Ca -0.00 -0.66 -0.26 0.00 0.00 0.00 0.00 47.33 46.41 3ag6 h GLY 119 CO 0.00 0.60 -1.06 0.00 0.00 0.00 0.00 176.54 176.08 3ag6 h ALA 120 N 1.07 0.17 0.00 3.60 0.00 -1.22 -3.06 119.26 119.82 3ag6 h ALA 120 Ca 0.05 -0.72 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 3ag6 h ALA 120 Cb 0.87 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3ag6 h ALA 120 CO 0.08 0.73 -0.39 0.87 0.00 0.00 0.00 179.25 180.53 3ag6 h LYS 121 N 0.32 0.00 -2.32 0.00 1.57 -1.26 -3.36 116.57 111.53 3ag6 h LYS 121 Ca -0.13 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.06 3ag6 h LYS 121 Cb 1.71 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.62 3ag6 h LYS 121 CO 0.20 0.39 -0.81 0.54 -0.57 0.00 0.00 179.45 179.21 3ag6 n ARG 122 N -3.38 1.49 -1.71 3.15 1.74 0.38 -5.08 116.66 113.25 3ag6 n ARG 122 Ca 0.01 -3.97 -0.43 0.00 -0.77 0.00 0.00 57.85 52.69 3ag6 n ARG 122 Cb 0.58 -1.85 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 3ag6 n ARG 122 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ag6 n PRO 123 N 1.52 2.46 0.00 5.56 -0.04 -1.16 -1.57 135.00 141.77 3ag6 n PRO 123 Ca 0.25 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.60 3ag6 n PRO 123 Cb 0.45 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 3ag6 n PRO 123 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ag6 n GLY 124 N 2.83 3.20 0.23 0.55 0.00 -1.26 -4.92 105.19 105.82 3ag6 n GLY 124 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 3ag6 n GLY 124 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3ag6 h HIS 125 N 0.00 -0.48 0.00 1.61 6.17 -1.58 -1.32 115.15 119.55 3ag6 h HIS 125 Ca 0.00 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.05 3ag6 h HIS 125 Cb 0.00 0.23 -0.01 0.00 2.52 0.00 0.00 27.41 30.15 3ag6 h HIS 125 CO 0.00 -0.26 -0.24 0.74 0.71 0.00 0.00 177.93 178.87 3ag6 h PHE 126 N -0.25 0.00 -0.57 5.26 -1.00 -1.91 -0.74 116.94 117.72 3ag6 h PHE 126 Ca 0.09 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.77 3ag6 h PHE 126 Cb 0.38 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 3ag6 h PHE 126 CO -0.28 0.24 -0.03 -0.44 -1.61 0.00 0.00 178.31 176.19 3ag6 h ASP 127 N 0.00 1.01 -0.58 2.17 3.32 -1.75 0.13 116.42 120.72 3ag6 h ASP 127 Ca -0.00 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 3ag6 h ASP 127 Cb 0.77 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3ag6 h ASP 127 CO 0.03 1.09 0.17 1.23 -1.72 0.00 0.00 179.24 180.05 3ag6 h GLY 128 N 0.91 0.97 0.91 2.75 0.00 -0.53 -0.91 103.07 107.17 3ag6 h GLY 128 Ca 0.16 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 3ag6 h GLY 128 CO 0.04 0.54 -0.25 -2.08 0.00 0.00 0.00 176.54 174.78 3ag6 h VAL 129 N 0.82 0.46 -0.54 4.60 2.07 -0.70 -2.10 116.25 120.85 3ag6 h VAL 129 Ca 0.19 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3ag6 h VAL 129 Cb 0.30 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3ag6 h VAL 129 CO -0.00 0.03 0.26 -0.37 0.02 0.00 0.00 177.57 177.50 3ag6 h VAL 130 N -0.81 1.18 -0.10 2.57 -1.51 -0.75 -0.28 116.25 116.54 3ag6 h VAL 130 Ca -0.07 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 3ag6 h VAL 130 Cb 0.59 0.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.23 3ag6 h VAL 130 CO 0.12 0.21 0.06 0.74 -1.23 0.00 0.00 177.57 177.47 3ag6 h THR 131 N 0.76 1.04 -0.07 7.19 2.02 -1.05 -0.15 112.91 122.64 3ag6 h THR 131 Ca 0.19 -0.08 -0.21 0.00 0.77 0.00 0.00 66.41 67.08 3ag6 h THR 131 Cb 0.07 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3ag6 h THR 131 CO -0.03 0.03 -0.81 1.62 0.37 0.00 0.00 175.52 176.71 3ag6 h VAL 132 N 0.12 1.36 -0.57 3.16 3.04 -1.05 -2.79 116.25 119.53 3ag6 h VAL 132 Ca 0.04 -2.19 -0.10 0.00 -1.01 0.00 0.00 66.70 63.44 3ag6 h VAL 132 Cb -0.00 2.18 -0.02 0.00 -2.01 0.00 0.00 31.29 31.43 3ag6 h VAL 132 CO -0.01 0.67 -0.02 0.58 -1.01 0.00 0.00 177.57 177.77 3ag6 h VAL 133 N 0.32 1.26 -0.19 1.51 2.07 -0.98 0.44 116.25 120.68 3ag6 h VAL 133 Ca -0.05 -1.16 0.03 0.00 0.82 0.00 0.00 66.70 66.34 3ag6 h VAL 133 Cb 1.41 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3ag6 h VAL 133 CO 0.15 0.42 0.03 -1.13 0.02 0.00 0.00 177.57 177.05 3ag6 h ASN 134 N 0.92 -0.02 -0.18 0.57 -1.24 -1.02 0.11 115.58 114.72 3ag6 h ASN 134 Ca 0.16 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.20 3ag6 h ASN 134 Cb 0.57 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.66 3ag6 h ASN 134 CO 0.03 0.02 0.11 0.11 -1.29 0.00 0.00 177.43 176.41 3ag6 h LYS 135 N 0.10 0.24 -0.87 6.67 1.57 -1.19 -2.09 116.57 121.00 3ag6 h LYS 135 Ca 0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3ag6 h LYS 135 Cb 0.09 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 3ag6 h LYS 135 CO -0.13 0.19 0.56 -0.07 -0.57 0.00 0.00 179.45 179.43 3ag6 h LEU 136 N 0.22 1.01 -1.08 2.94 3.38 -0.62 0.41 115.31 121.57 3ag6 h LEU 136 Ca 0.06 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3ag6 h LEU 136 Cb 0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3ag6 h LEU 136 CO -0.01 0.74 0.15 -0.26 0.09 0.00 0.00 178.44 179.15 3ag6 h PHE 137 N 1.18 0.83 0.00 1.13 0.05 -0.46 0.16 116.94 119.83 3ag6 h PHE 137 Ca 0.32 -0.07 -0.13 0.00 3.82 0.00 0.00 57.97 61.91 3ag6 h PHE 137 Cb -0.11 -0.25 -0.02 0.00 2.00 0.00 0.00 35.95 37.57 3ag6 h PHE 137 CO 0.00 0.68 -0.60 -0.91 -0.18 0.00 0.00 178.31 177.30 3ag6 h ASN 138 N 0.79 0.00 0.02 2.17 2.35 -0.61 0.10 115.58 120.39 3ag6 h ASN 138 Ca 0.18 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 3ag6 h ASN 138 Cb 0.25 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.63 3ag6 h ASN 138 CO -0.01 0.60 -0.33 0.40 -1.65 0.00 0.00 177.43 176.44 3ag6 h ILE 139 N 0.00 1.57 0.00 2.81 2.04 -0.52 -3.36 117.51 120.06 3ag6 h ILE 139 Ca -0.01 -2.12 -0.02 0.00 1.00 0.00 0.00 64.86 63.71 3ag6 h ILE 139 Cb 1.38 2.93 -0.00 0.00 -0.74 0.00 0.00 36.82 40.39 3ag6 h ILE 139 CO 0.08 0.58 -0.76 0.58 0.00 0.00 0.00 178.15 178.63 3ag6 h VAL 140 N -0.53 0.08 -6.77 1.67 2.07 -0.77 -3.40 116.25 108.61 3ag6 h VAL 140 Ca -0.05 -1.15 -0.56 0.00 0.82 0.00 0.00 66.70 65.77 3ag6 h VAL 140 Cb 1.14 1.72 -0.10 0.00 -1.52 0.00 0.00 31.29 32.53 3ag6 h VAL 140 CO 0.06 0.05 -0.94 0.23 0.02 0.00 0.00 177.57 176.99 3ag6 n MET 141 N -2.83 -1.73 -1.53 1.57 2.81 0.35 -4.91 117.12 110.85 3ag6 n MET 141 Ca 0.00 0.24 -0.31 0.00 -1.81 0.00 0.00 57.70 55.81 3ag6 n MET 141 Cb 0.58 -3.82 0.06 0.00 -0.71 0.00 0.00 33.22 29.33 3ag6 n MET 141 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3ag6 s PRO 142 N -6.97 2.69 -0.15 0.03 0.04 -1.26 -4.81 135.00 124.57 3ag6 s PRO 142 Ca 0.11 1.13 0.03 0.00 0.04 0.00 0.00 61.00 62.32 3ag6 s PRO 142 Cb -0.05 -1.95 -0.23 0.00 0.04 0.00 0.00 34.50 32.30 3ag6 s PRO 142 CO 0.94 -1.31 0.23 -0.25 0.04 0.00 0.00 177.00 176.65 3ag6 n ASP 143 N -3.06 1.53 -4.00 6.66 9.92 0.74 -4.53 116.55 123.81 3ag6 n ASP 143 Ca 0.09 0.13 -0.22 0.00 -0.53 0.00 0.00 54.79 54.26 3ag6 n ASP 143 Cb 0.53 -0.31 -0.16 0.00 -0.64 0.00 0.00 41.12 40.54 3ag6 n ASP 143 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3ag6 s TYR 144 N -2.55 1.12 -0.10 1.24 1.51 -0.96 -1.09 117.35 116.52 3ag6 s TYR 144 Ca -0.20 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.56 3ag6 s TYR 144 Cb 0.07 -0.83 0.00 0.00 -0.11 0.00 0.00 41.96 41.10 3ag6 s TYR 144 CO 0.74 -0.17 -0.22 0.00 -1.11 0.00 0.00 175.55 174.79 3ag6 s ALA 145 N 0.44 2.07 -0.16 3.71 0.00 -0.54 -0.82 121.76 126.46 3ag6 s ALA 145 Ca -0.08 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 3ag6 s ALA 145 Cb -0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3ag6 s ALA 145 CO 0.02 0.21 0.10 0.71 0.00 0.00 0.00 175.76 176.80 3ag6 s TYR 146 N 0.47 3.41 0.07 0.00 2.02 -0.03 -0.87 117.35 122.42 3ag6 s TYR 146 Ca -0.16 0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.87 3ag6 s TYR 146 Cb -0.17 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 3ag6 s TYR 146 CO 0.06 0.41 -0.07 -0.06 -1.57 0.00 0.00 175.55 174.33 3ag6 s PHE 147 N -0.17 0.74 -0.05 2.71 0.40 -0.47 -4.32 117.98 116.82 3ag6 s PHE 147 Ca 0.09 -0.74 -0.06 0.00 -0.60 0.00 0.00 56.93 55.62 3ag6 s PHE 147 Cb -0.12 -0.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.93 3ag6 s PHE 147 CO 0.01 -0.14 0.20 0.20 0.70 0.00 0.00 175.22 176.19 3ag6 s GLY 148 N -2.36 2.21 0.00 4.36 0.00 -1.26 -0.57 107.32 109.70 3ag6 s GLY 148 Ca 0.01 -0.62 0.17 0.00 0.00 0.00 0.00 44.72 44.28 3ag6 s GLY 148 CO -0.03 -0.41 1.52 0.28 0.00 0.00 0.00 173.10 174.46 3ag6 n LYS 149 N 1.49 0.12 -0.34 2.90 5.02 0.40 -2.64 118.16 125.12 3ag6 n LYS 149 Ca -0.15 0.17 0.06 0.00 -2.02 0.00 0.00 58.31 56.37 3ag6 n LYS 149 Cb 0.54 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 34.27 3ag6 n LYS 149 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3ag6 h LYS 150 N 0.00 0.89 -2.71 1.97 1.63 -1.90 -1.29 116.57 115.16 3ag6 h LYS 150 Ca 0.00 -0.05 -0.76 0.00 -0.85 0.00 0.00 60.65 58.99 3ag6 h LYS 150 Cb 0.22 -0.20 -0.31 0.00 -0.60 0.00 0.00 32.23 31.34 3ag6 h LYS 150 CO 0.00 0.59 0.47 -0.25 -3.45 0.00 0.00 179.45 176.81 3ag6 n ASP 151 N -4.67 5.86 -0.37 4.20 8.00 -1.08 -4.72 116.55 123.77 3ag6 n ASP 151 Ca 0.17 -3.44 0.01 0.00 0.71 0.00 0.00 54.79 52.24 3ag6 n ASP 151 Cb 0.34 -1.12 0.15 0.00 -0.02 0.00 0.00 41.12 40.47 3ag6 n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ag6 h ALA 152 N 5.05 1.33 -0.46 2.24 0.00 -1.43 -0.88 119.26 125.12 3ag6 h ALA 152 Ca 0.21 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 3ag6 h ALA 152 Cb 0.61 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ag6 h ALA 152 CO 1.21 0.52 -0.20 0.37 0.00 0.00 0.00 179.25 181.15 3ag6 h GLN 153 N 1.24 0.92 -0.32 0.00 4.15 -1.89 -2.00 115.11 117.21 3ag6 h GLN 153 Ca 0.40 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3ag6 h GLN 153 Cb 0.04 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3ag6 h GLN 153 CO -0.14 1.03 0.21 0.37 -1.93 0.00 0.00 178.83 178.37 3ag6 h GLN 154 N 0.80 0.42 -0.44 1.69 4.15 -1.80 -1.65 115.11 118.28 3ag6 h GLN 154 Ca 0.11 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.55 3ag6 h GLN 154 Cb 0.75 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.30 3ag6 h GLN 154 CO 0.06 0.28 0.18 1.25 -1.93 0.00 0.00 178.83 178.67 3ag6 h LEU 155 N 0.43 0.22 -0.95 -2.39 5.85 -0.91 0.11 115.31 117.66 3ag6 h LEU 155 Ca 0.12 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3ag6 h LEU 155 Cb -0.04 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3ag6 h LEU 155 CO -0.02 0.16 0.32 0.00 -0.34 0.00 0.00 178.44 178.56 3ag6 h ALA 156 N 1.27 1.17 -0.35 1.25 0.00 -1.13 -1.27 119.26 120.20 3ag6 h ALA 156 Ca 0.20 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3ag6 h ALA 156 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ag6 h ALA 156 CO -0.18 0.61 -0.38 0.82 0.00 0.00 0.00 179.25 180.12 3ag6 h ILE 157 N 1.06 1.28 -0.57 0.00 2.04 -0.57 -1.68 117.51 119.08 3ag6 h ILE 157 Ca 0.25 -1.56 -0.07 0.00 1.00 0.00 0.00 64.86 64.48 3ag6 h ILE 157 Cb 0.16 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3ag6 h ILE 157 CO -0.03 0.51 0.07 0.58 0.00 0.00 0.00 178.15 179.29 3ag6 h VAL 158 N 0.70 1.26 -0.86 1.67 2.07 -0.50 -0.84 116.25 119.74 3ag6 h VAL 158 Ca 0.06 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 3ag6 h VAL 158 Cb 0.96 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3ag6 h VAL 158 CO 0.09 0.37 0.45 -0.33 0.02 0.00 0.00 177.57 178.17 3ag6 h GLU 159 N 0.84 1.22 -0.67 1.57 4.39 -1.14 0.08 114.58 120.86 3ag6 h GLU 159 Ca 0.17 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 3ag6 h GLU 159 Cb 0.44 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 3ag6 h GLU 159 CO 0.01 0.91 0.14 0.37 -1.16 0.00 0.00 179.01 179.28 3ag6 h GLN 160 N 1.21 1.09 -0.46 2.33 5.75 -0.91 -1.39 115.11 122.73 3ag6 h GLN 160 Ca 0.30 -0.27 -0.12 0.00 -0.15 0.00 0.00 58.65 58.41 3ag6 h GLN 160 Cb 0.06 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 3ag6 h GLN 160 CO -0.05 0.98 -0.18 1.98 -2.65 0.00 0.00 178.83 178.91 3ag6 h MET 161 N 1.03 0.90 -0.66 1.69 4.05 -0.64 -0.05 114.93 121.26 3ag6 h MET 161 Ca 0.21 -0.36 -0.03 0.00 -0.28 0.00 0.00 59.70 59.24 3ag6 h MET 161 Cb 0.40 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.12 3ag6 h MET 161 CO 0.01 1.01 0.29 0.28 0.23 0.00 0.00 176.91 178.72 3ag6 h VAL 162 N 0.79 1.22 0.19 -5.77 2.07 -0.65 -0.43 116.25 113.68 3ag6 h VAL 162 Ca 0.11 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3ag6 h VAL 162 Cb 0.72 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3ag6 h VAL 162 CO 0.06 0.27 -0.09 0.50 0.02 0.00 0.00 177.57 178.32 3ag6 h LYS 163 N 0.93 -0.25 -0.57 1.57 3.64 -0.89 -2.05 116.57 118.96 3ag6 h LYS 163 Ca 0.23 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3ag6 h LYS 163 Cb 0.14 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3ag6 h LYS 163 CO -0.03 0.15 0.33 -0.44 -2.27 0.00 0.00 179.45 177.19 3ag6 h ASP 164 N -0.76 0.68 0.05 4.20 3.32 -0.90 -2.59 116.42 120.42 3ag6 h ASP 164 Ca -0.03 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3ag6 h ASP 164 Cb 0.51 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3ag6 h ASP 164 CO 0.04 0.54 -0.14 0.49 -1.72 0.00 0.00 179.24 178.45 3ag6 n PHE 165 N -4.41 0.00 -3.22 4.55 0.99 -0.18 -4.96 117.46 110.24 3ag6 n PHE 165 Ca 0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.27 3ag6 n PHE 165 Cb 0.08 -0.03 0.05 0.00 -1.00 0.00 0.00 39.48 38.58 3ag6 n PHE 165 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3ag6 n ASN 166 N 0.16 -6.06 -4.72 4.37 4.13 -0.87 -4.93 115.26 107.33 3ag6 n ASN 166 Ca 0.15 -0.37 -0.42 0.00 1.68 0.00 0.00 54.58 55.61 3ag6 n ASN 166 Cb 0.42 -4.87 -0.03 0.00 -1.54 0.00 0.00 39.78 33.77 3ag6 n ASN 166 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3ag6 s HIS 167 N -3.21 3.12 -1.26 3.10 3.76 -0.82 -4.87 115.29 115.11 3ag6 s HIS 167 Ca 0.39 0.73 -0.08 0.00 -0.15 0.00 0.00 55.06 55.96 3ag6 s HIS 167 Cb -0.18 -3.85 -0.06 0.00 1.11 0.00 0.00 32.58 29.60 3ag6 s HIS 167 CO 0.49 -3.09 2.94 0.00 -0.85 0.00 0.00 174.74 174.23 3ag6 n ALA 168 N 3.95 7.19 -2.99 -1.40 0.00 -1.26 -4.83 120.51 121.17 3ag6 n ALA 168 Ca 0.13 -3.37 -0.23 0.00 0.00 0.00 0.00 53.44 49.97 3ag6 n ALA 168 Cb 0.40 -3.03 -0.16 0.00 0.00 0.00 0.00 19.45 16.66 3ag6 n ALA 168 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ag6 s VAL 169 N 1.06 1.13 -0.26 0.00 1.01 -1.26 -4.68 120.40 117.39 3ag6 s VAL 169 Ca 0.66 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 3ag6 s VAL 169 Cb 0.21 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 3ag6 s VAL 169 CO -0.07 0.34 0.20 -0.70 0.00 0.00 0.00 175.10 174.87 3ag6 s GLU 170 N 0.14 4.02 -0.08 2.72 2.12 -0.25 -4.96 118.70 122.41 3ag6 s GLU 170 Ca -0.04 -0.24 -0.24 0.00 0.36 0.00 0.00 54.97 54.81 3ag6 s GLU 170 Cb -0.10 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 3ag6 s GLU 170 CO 0.01 -0.07 0.74 0.42 -0.54 0.00 0.00 175.26 175.82 3ag6 s ILE 171 N 1.44 5.01 -0.28 -3.70 -1.09 -1.26 -1.47 121.20 119.84 3ag6 s ILE 171 Ca 0.08 1.51 -0.02 0.00 -2.23 0.00 0.00 60.65 59.99 3ag6 s ILE 171 Cb -0.15 -4.07 0.04 0.00 -1.58 0.00 0.00 42.46 36.70 3ag6 s ILE 171 CO 0.08 0.20 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.35 3ag6 s ILE 172 N 1.07 3.04 -0.15 2.92 -1.09 -0.05 -4.95 121.20 122.00 3ag6 s ILE 172 Ca 0.38 -1.19 -0.14 0.00 -2.23 0.00 0.00 60.65 57.47 3ag6 s ILE 172 Cb -0.18 -2.66 -0.05 0.00 -1.58 0.00 0.00 42.46 38.00 3ag6 s ILE 172 CO 0.18 0.02 0.31 -0.83 -1.23 0.00 0.00 174.94 173.39 3ag6 s GLY 173 N 1.30 2.24 0.12 6.18 0.00 -1.26 -1.37 107.32 114.53 3ag6 s GLY 173 Ca -0.03 -0.42 0.05 0.00 0.00 0.00 0.00 44.72 44.32 3ag6 s GLY 173 CO -0.02 0.45 0.05 -0.26 0.00 0.00 0.00 173.10 173.32 3ag6 s ILE 174 N 0.42 4.23 0.83 0.90 -4.36 0.26 -4.89 121.20 118.59 3ag6 s ILE 174 Ca 0.18 -1.02 -0.10 0.00 -0.26 0.00 0.00 60.65 59.45 3ag6 s ILE 174 Cb -0.13 -3.07 0.09 0.00 1.25 0.00 0.00 42.46 40.60 3ag6 s ILE 174 CO 0.05 0.03 1.11 -1.81 0.24 0.00 0.00 174.94 174.56 3ag6 s ASP 175 N -2.62 3.87 0.03 4.36 1.01 -1.26 -0.45 116.67 121.61 3ag6 s ASP 175 Ca 0.28 1.97 -0.30 0.00 0.71 0.00 0.00 52.55 55.21 3ag6 s ASP 175 Cb -0.11 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.21 3ag6 s ASP 175 CO 0.21 -2.46 1.63 -0.63 0.21 0.00 0.00 175.17 174.12 3ag6 s ILE 176 N -2.80 3.25 -0.09 0.77 1.01 -1.26 -4.69 121.20 117.39 3ag6 s ILE 176 Ca 0.63 0.61 -0.19 0.00 0.00 0.00 0.00 60.65 61.70 3ag6 s ILE 176 Cb -0.19 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3ag6 s ILE 176 CO 0.57 -0.01 0.52 -0.69 0.00 0.00 0.00 174.94 175.33 3ag6 s VAL 177 N 2.97 5.13 0.25 2.92 1.01 -1.26 -5.02 120.40 126.39 3ag6 s VAL 177 Ca 0.73 1.06 0.11 0.00 0.00 0.00 0.00 61.98 63.88 3ag6 s VAL 177 Cb -0.37 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3ag6 s VAL 177 CO 0.31 0.34 -0.19 -0.13 0.00 0.00 0.00 175.10 175.42 3ag6 s ARG 178 N 0.48 1.56 0.96 2.72 0.52 -1.26 -1.40 118.95 122.52 3ag6 s ARG 178 Ca 0.28 -1.68 -0.12 0.00 -0.52 0.00 0.00 55.73 53.69 3ag6 s ARG 178 Cb -0.16 -1.63 0.16 0.00 0.52 0.00 0.00 34.95 33.84 3ag6 s ARG 178 CO 0.12 0.31 1.11 -1.21 0.02 0.00 0.00 175.30 175.65 3ag6 s GLU 179 N -3.36 0.77 0.35 3.54 0.41 0.10 -4.86 118.70 115.66 3ag6 s GLU 179 Ca 0.26 0.45 0.10 0.00 -0.41 0.00 0.00 54.97 55.37 3ag6 s GLU 179 Cb -0.05 -1.78 0.84 0.00 -1.78 0.00 0.00 34.13 31.36 3ag6 s GLU 179 CO 0.12 -2.49 1.85 0.00 -0.49 0.00 0.00 175.26 174.25 3ag6 h ALA 180 N -1.71 1.87 -0.00 5.21 0.00 -2.01 -0.31 119.26 122.31 3ag6 h ALA 180 Ca -0.53 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ag6 h ALA 180 Cb 1.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ag6 h ALA 180 CO 0.59 -0.14 -0.07 -0.40 0.00 0.00 0.00 179.25 179.23 3ag6 n ASP 181 N -4.59 0.09 0.00 0.00 5.75 -1.26 -4.92 116.55 111.62 3ag6 n ASP 181 Ca 0.19 0.26 0.00 0.00 -0.01 0.00 0.00 54.79 55.23 3ag6 n ASP 181 Cb 0.53 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3ag6 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ag6 n GLY 182 N 1.46 2.25 3.69 6.12 0.00 -0.13 -4.97 105.19 113.61 3ag6 n GLY 182 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 3ag6 n GLY 182 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ag6 n LEU 183 N 0.00 3.67 -4.73 0.99 7.94 -1.26 -4.54 117.00 119.06 3ag6 n LEU 183 Ca 0.00 1.03 -0.42 0.00 -1.11 0.00 0.00 56.01 55.51 3ag6 n LEU 183 Cb 0.00 -1.49 -0.02 0.00 0.53 0.00 0.00 43.42 42.43 3ag6 n LEU 183 CO 0.00 0.01 1.21 0.00 -1.11 0.00 0.00 177.39 177.50 3ag6 s ALA 184 N 2.09 3.74 0.33 1.96 0.00 -1.26 0.03 121.76 128.64 3ag6 s ALA 184 Ca 0.81 1.43 -0.29 0.00 0.00 0.00 0.00 51.96 53.92 3ag6 s ALA 184 Cb -0.57 -3.62 -0.10 0.00 0.00 0.00 0.00 23.12 18.83 3ag6 s ALA 184 CO 0.38 -0.84 1.31 0.15 0.00 0.00 0.00 175.76 176.77 3ag6 s LYS 185 N 0.24 4.35 -0.21 0.00 1.02 -0.50 -4.83 119.74 119.82 3ag6 s LYS 185 Ca 0.65 2.21 -0.27 0.00 0.02 0.00 0.00 55.97 58.59 3ag6 s LYS 185 Cb -0.45 -3.08 0.09 0.00 -0.52 0.00 0.00 37.83 33.88 3ag6 s LYS 185 CO 0.39 -0.20 0.82 0.45 -0.92 0.00 0.00 175.35 175.90 3ag6 s SER 186 N -0.44 -0.61 0.52 2.83 0.15 -1.26 -4.95 113.70 109.95 3ag6 s SER 186 Ca 0.49 1.01 0.29 0.00 0.70 0.00 0.00 55.95 58.44 3ag6 s SER 186 Cb -0.40 0.97 1.45 0.00 -1.71 0.00 0.00 66.02 66.33 3ag6 s SER 186 CO 0.52 -0.32 2.06 0.28 1.20 0.00 0.00 173.24 176.98 3ag6 h SER 187 N 4.05 0.00 0.73 5.45 0.02 -1.91 -2.08 113.55 119.81 3ag6 h SER 187 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3ag6 h SER 187 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3ag6 h SER 187 CO 0.17 0.11 0.00 0.54 -1.14 0.00 0.00 176.83 176.52 3ag6 n ARG 188 N -3.53 0.14 0.29 3.45 1.74 -1.26 -3.20 116.66 114.28 3ag6 n ARG 188 Ca -0.01 0.06 0.16 0.00 -0.77 0.00 0.00 57.85 57.28 3ag6 n ARG 188 Cb 0.25 -1.50 0.85 0.00 -1.02 0.00 0.00 32.46 31.04 3ag6 n ARG 188 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3ag6 h ASN 189 N 0.00 0.00 0.24 0.55 2.35 -1.76 -1.47 115.58 115.49 3ag6 h ASN 189 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ag6 h ASN 189 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3ag6 h ASN 189 CO 0.00 0.06 0.00 0.55 -1.65 0.00 0.00 177.43 176.39 3ag6 n VAL 190 N -3.38 1.07 0.23 2.81 3.14 -1.19 -1.32 118.33 119.68 3ag6 n VAL 190 Ca -0.02 0.55 0.12 0.00 -2.96 0.00 0.00 64.34 62.03 3ag6 n VAL 190 Cb 0.21 -1.52 0.16 0.00 -1.06 0.00 0.00 33.84 31.63 3ag6 n VAL 190 CO 0.00 0.00 0.00 1.88 -6.46 0.00 0.00 176.83 172.25 3ag6 h TYR 191 N 0.00 0.00 -3.49 1.45 0.99 -1.53 -3.47 116.97 110.93 3ag6 h TYR 191 Ca 0.00 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.21 3ag6 h TYR 191 Cb 0.12 0.00 0.03 0.00 1.00 0.00 0.00 36.73 37.88 3ag6 h TYR 191 CO 0.00 0.00 0.62 -0.51 -0.00 0.00 0.00 178.16 178.27 3ag6 s LEU 192 N -6.04 4.43 0.89 3.88 1.43 -0.43 -4.61 118.68 118.23 3ag6 s LEU 192 Ca 0.06 2.39 -0.13 0.00 -1.03 0.00 0.00 54.13 55.42 3ag6 s LEU 192 Cb 0.06 -3.61 0.13 0.00 0.03 0.00 0.00 46.19 42.79 3ag6 s LEU 192 CO 0.68 -0.47 1.16 0.42 0.23 0.00 0.00 176.35 178.38 3ag6 s THR 193 N -0.15 1.99 0.25 5.49 -4.23 -1.26 -4.72 115.64 113.00 3ag6 s THR 193 Ca 0.54 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.01 3ag6 s THR 193 Cb -0.36 -2.84 0.23 0.00 1.34 0.00 0.00 72.50 70.87 3ag6 s THR 193 CO 0.40 0.00 1.83 -0.33 -0.54 0.00 0.00 174.62 175.98 3ag6 h GLU 194 N -1.40 0.87 0.08 3.99 3.07 -1.99 0.67 114.58 119.86 3ag6 h GLU 194 Ca -0.48 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.32 3ag6 h GLU 194 Cb 1.32 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3ag6 h GLU 194 CO 0.61 0.57 -0.04 0.37 -1.40 0.00 0.00 179.01 179.12 3ag6 h GLN 195 N 0.89 -0.10 -0.46 2.33 4.15 -2.01 -3.14 115.11 116.76 3ag6 h GLN 195 Ca 0.41 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.83 3ag6 h GLN 195 Cb 0.31 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 3ag6 h GLN 195 CO -0.22 0.28 0.28 0.93 -1.93 0.00 0.00 178.83 178.17 3ag6 h GLU 196 N -0.50 0.62 -0.65 1.69 5.08 -1.84 -2.19 114.58 116.79 3ag6 h GLU 196 Ca -0.01 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3ag6 h GLU 196 Cb 0.42 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3ag6 h GLU 196 CO 0.02 0.43 0.37 -0.09 -1.00 0.00 0.00 179.01 178.74 3ag6 h ARG 197 N 0.63 0.66 -0.02 2.33 9.65 -0.83 0.45 114.38 127.26 3ag6 h ARG 197 Ca 0.17 -0.04 -0.19 0.00 -1.10 0.00 0.00 59.98 58.82 3ag6 h ARG 197 Cb -0.03 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 3ag6 h ARG 197 CO -0.03 0.44 -0.82 1.96 2.80 0.00 0.00 179.97 184.32 3ag6 h GLN 198 N 0.68 0.23 -0.52 0.20 1.08 -1.42 -3.10 115.11 112.25 3ag6 h GLN 198 Ca 0.29 -0.22 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 3ag6 h GLN 198 Cb 0.16 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 3ag6 h GLN 198 CO -0.17 0.92 -0.03 0.93 -0.95 0.00 0.00 178.83 179.53 3ag6 h GLU 199 N 0.14 0.91 -0.01 1.46 5.08 -0.78 -2.90 114.58 118.47 3ag6 h GLU 199 Ca -0.04 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3ag6 h GLU 199 Cb 1.42 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 3ag6 h GLU 199 CO 0.13 0.92 0.06 0.00 -1.00 0.00 0.00 179.01 179.11 3ag6 h ALA 200 N 1.13 1.13 0.00 3.43 0.00 -0.04 -1.85 119.26 123.05 3ag6 h ALA 200 Ca 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ag6 h ALA 200 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ag6 h ALA 200 CO 0.03 -0.06 -0.11 0.28 0.00 0.00 0.00 179.25 179.39 3ag6 h VAL 201 N 0.00 0.61 0.00 0.00 2.07 -1.58 -2.75 116.25 114.59 3ag6 h VAL 201 Ca 0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3ag6 h VAL 201 Cb 0.12 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3ag6 h VAL 201 CO -0.00 0.11 0.00 1.41 0.02 0.00 0.00 177.57 179.11 3ag6 n HIS 202 N -3.73 0.80 -0.01 1.57 -0.00 -0.70 -2.44 115.22 110.72 3ag6 n HIS 202 Ca -0.02 0.32 -0.12 0.00 -0.00 0.00 0.00 57.72 57.90 3ag6 n HIS 202 Cb 0.22 -1.02 -0.08 0.00 -0.00 0.00 0.00 29.99 29.11 3ag6 n HIS 202 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3ag6 h LEU 203 N 0.00 0.09 -0.68 2.41 4.07 -1.70 0.19 115.31 119.69 3ag6 h LEU 203 Ca 0.00 -0.26 -0.09 0.00 0.08 0.00 0.00 57.88 57.61 3ag6 h LEU 203 Cb 0.35 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 3ag6 h LEU 203 CO 0.00 0.32 0.02 0.77 -1.08 0.00 0.00 178.44 178.47 3ag6 h SER 204 N -0.15 1.01 -0.10 -0.43 4.64 -1.70 -2.43 113.55 114.39 3ag6 h SER 204 Ca 0.02 -0.28 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 3ag6 h SER 204 Cb 0.27 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3ag6 h SER 204 CO 0.00 1.05 -0.10 0.11 -0.87 0.00 0.00 176.83 177.03 3ag6 h LYS 205 N 0.96 0.41 0.00 4.77 1.57 -1.28 -1.31 116.57 121.68 3ag6 h LYS 205 Ca 0.18 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 3ag6 h LYS 205 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3ag6 h LYS 205 CO 0.03 0.52 -0.43 0.66 -0.57 0.00 0.00 179.45 179.65 3ag6 h SER 206 N 0.39 0.00 0.76 0.86 4.64 -0.22 -1.94 113.55 118.04 3ag6 h SER 206 Ca 0.08 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.20 3ag6 h SER 206 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3ag6 h SER 206 CO 0.02 0.43 -0.90 -0.07 -0.87 0.00 0.00 176.83 175.45 3ag6 h LEU 207 N 0.00 0.11 -0.93 5.97 3.38 -0.89 -0.37 115.31 122.58 3ag6 h LEU 207 Ca -0.00 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3ag6 h LEU 207 Cb 0.84 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3ag6 h LEU 207 CO 0.06 0.95 -0.15 -0.07 0.09 0.00 0.00 178.44 179.32 3ag6 h LEU 208 N 0.04 0.60 -0.09 1.67 3.38 -0.93 0.11 115.31 120.10 3ag6 h LEU 208 Ca -0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3ag6 h LEU 208 Cb 1.56 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 3ag6 h LEU 208 CO 0.13 0.77 -0.00 0.25 0.09 0.00 0.00 178.44 179.68 3ag6 h LEU 209 N 0.56 0.16 -0.49 1.67 5.85 -1.09 -1.15 115.31 120.81 3ag6 h LEU 209 Ca 0.10 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.56 3ag6 h LEU 209 Cb 0.57 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 3ag6 h LEU 209 CO 0.04 0.43 0.21 0.00 -0.34 0.00 0.00 178.44 178.78 3ag6 h ALA 210 N 0.73 0.62 -0.43 1.25 0.00 -0.72 -0.46 119.26 120.24 3ag6 h ALA 210 Ca 0.03 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ag6 h ALA 210 Cb 0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3ag6 h ALA 210 CO 0.00 -0.16 0.26 0.37 0.00 0.00 0.00 179.25 179.72 3ag6 h GLN 211 N 0.42 0.50 -0.55 0.00 4.15 -0.65 -0.95 115.11 118.03 3ag6 h GLN 211 Ca 0.23 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 3ag6 h GLN 211 Cb 0.19 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 3ag6 h GLN 211 CO -0.20 0.33 0.31 0.00 -1.93 0.00 0.00 178.83 177.34 3ag6 h ALA 212 N 1.19 0.70 -0.82 3.38 0.00 -0.55 0.24 119.26 123.40 3ag6 h ALA 212 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ag6 h ALA 212 Cb 0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3ag6 h ALA 212 CO -0.08 0.22 0.53 -0.07 0.00 0.00 0.00 179.25 179.85 3ag6 h LEU 213 N 0.74 0.96 -0.40 0.00 3.38 -0.78 -1.31 115.31 117.91 3ag6 h LEU 213 Ca 0.19 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3ag6 h LEU 213 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3ag6 h LEU 213 CO -0.03 0.71 0.01 0.22 0.09 0.00 0.00 178.44 179.44 3ag6 h TYR 214 N 1.12 0.76 -0.61 1.13 3.20 -0.65 -1.85 116.97 120.07 3ag6 h TYR 214 Ca 0.30 -0.13 0.07 0.00 3.14 0.00 0.00 58.73 62.11 3ag6 h TYR 214 Cb -0.10 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 37.92 3ag6 h TYR 214 CO -0.01 0.77 0.30 1.96 -1.64 0.00 0.00 178.16 179.54 3ag6 h GLN 215 N 0.52 0.53 0.00 1.82 1.08 -0.08 -1.33 115.11 117.65 3ag6 h GLN 215 Ca 0.11 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3ag6 h GLN 215 Cb 0.47 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3ag6 h GLN 215 CO 0.02 0.35 0.00 -0.25 -0.95 0.00 0.00 178.83 178.00 3ag6 n ASP 216 N -4.88 0.18 0.00 1.46 8.00 -0.53 -4.86 116.55 115.92 3ag6 n ASP 216 Ca 0.08 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.12 3ag6 n ASP 216 Cb 0.20 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 3ag6 n ASP 216 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ag6 n GLY 217 N -0.19 1.17 3.70 0.44 0.00 -0.50 -5.10 105.19 104.71 3ag6 n GLY 217 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3ag6 n GLY 217 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ag6 s GLU 218 N -0.00 4.24 0.00 1.61 2.56 -0.71 -4.87 118.70 121.53 3ag6 s GLU 218 Ca 0.00 2.23 0.00 0.00 0.00 0.00 0.00 54.97 57.20 3ag6 s GLU 218 Cb 0.00 -3.40 0.00 0.00 2.00 0.00 0.00 34.13 32.73 3ag6 s GLU 218 CO 0.00 -0.61 0.50 0.54 -0.56 0.00 0.00 175.26 175.13 3ag6 n ARG 219 N 4.79 0.29 -3.07 4.30 5.12 -1.26 -4.47 116.66 122.36 3ag6 n ARG 219 Ca 0.14 -0.62 -0.42 0.00 -1.93 0.00 0.00 57.85 55.02 3ag6 n ARG 219 Cb 0.41 -0.82 -0.06 0.00 -1.16 0.00 0.00 32.46 30.82 3ag6 n ARG 219 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3ag6 s GLN 220 N -0.23 3.67 0.27 5.56 -1.52 -1.26 -0.57 119.66 125.57 3ag6 s GLN 220 Ca 0.00 0.09 -0.01 0.00 -1.95 0.00 0.00 55.36 53.49 3ag6 s GLN 220 Cb 0.00 -3.82 0.47 0.00 -0.22 0.00 0.00 33.01 29.44 3ag6 s GLN 220 CO 0.00 -0.79 1.84 0.77 -0.25 0.00 0.00 175.29 176.86 3ag6 h SER 221 N 8.50 0.90 -0.88 5.90 0.02 -1.33 -2.08 113.55 124.59 3ag6 h SER 221 Ca -0.26 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 60.80 3ag6 h SER 221 Cb 1.10 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 63.43 3ag6 h SER 221 CO 0.86 0.52 0.54 0.11 -1.14 0.00 0.00 176.83 177.72 3ag6 h LYS 222 N 1.00 0.93 -0.28 3.45 1.57 -1.91 0.40 116.57 121.74 3ag6 h LYS 222 Ca 0.45 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.16 3ag6 h LYS 222 Cb 0.36 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3ag6 h LYS 222 CO -0.23 0.61 0.10 0.28 -0.57 0.00 0.00 179.45 179.64 3ag6 h VAL 223 N 0.96 1.19 -0.21 0.50 2.07 -1.76 -0.28 116.25 118.71 3ag6 h VAL 223 Ca 0.39 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3ag6 h VAL 223 Cb 0.24 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3ag6 h VAL 223 CO -0.20 0.19 0.02 0.40 0.02 0.00 0.00 177.57 178.01 3ag6 h ILE 224 N 0.29 1.24 -0.33 4.57 2.04 -1.26 -1.85 117.51 122.21 3ag6 h ILE 224 Ca 0.09 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.16 3ag6 h ILE 224 Cb 0.21 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3ag6 h ILE 224 CO -0.01 0.25 0.17 0.40 0.00 0.00 0.00 178.15 178.97 3ag6 h ILE 225 N 0.13 1.00 -0.66 -0.67 2.04 -0.86 0.13 117.51 118.62 3ag6 h ILE 225 Ca 0.06 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 3ag6 h ILE 225 Cb 0.36 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3ag6 h ILE 225 CO 0.01 0.06 0.20 0.44 0.00 0.00 0.00 178.15 178.86 3ag6 h ASP 226 N 0.35 0.97 -0.36 1.72 3.32 -1.02 0.10 116.42 121.51 3ag6 h ASP 226 Ca 0.13 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 3ag6 h ASP 226 Cb 0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3ag6 h ASP 226 CO -0.08 0.92 0.09 -0.09 -1.72 0.00 0.00 179.24 178.36 3ag6 h ARG 227 N 0.96 0.57 -0.42 3.56 9.65 -1.05 -0.13 114.38 127.52 3ag6 h ARG 227 Ca 0.21 -0.13 -0.05 0.00 -1.10 0.00 0.00 59.98 58.91 3ag6 h ARG 227 Cb 0.31 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 3ag6 h ARG 227 CO -0.01 0.61 0.08 0.28 2.80 0.00 0.00 179.97 183.74 3ag6 h VAL 228 N 0.42 1.24 -0.06 0.20 2.07 -0.81 -1.81 116.25 117.50 3ag6 h VAL 228 Ca 0.11 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3ag6 h VAL 228 Cb 0.29 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3ag6 h VAL 228 CO 0.00 0.30 0.03 0.74 0.02 0.00 0.00 177.57 178.66 3ag6 h THR 229 N 0.55 1.11 0.00 2.57 2.02 -0.65 -1.10 112.91 117.41 3ag6 h THR 229 Ca 0.13 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 3ag6 h THR 229 Cb 0.35 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3ag6 h THR 229 CO 0.01 0.09 -0.29 1.05 0.37 0.00 0.00 175.52 176.74 3ag6 h GLU 230 N -0.02 0.00 -0.11 6.66 4.11 -1.00 0.53 114.58 124.75 3ag6 h GLU 230 Ca 0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 3ag6 h GLU 230 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3ag6 h GLU 230 CO -0.00 0.29 -0.02 -0.92 0.07 0.00 0.00 179.01 178.43 3ag6 h TYR 231 N 0.00 0.23 -0.31 2.06 5.03 -1.04 -2.10 116.97 120.83 3ag6 h TYR 231 Ca -0.00 -0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.25 3ag6 h TYR 231 Cb 0.54 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 3ag6 h TYR 231 CO 0.00 0.49 0.17 -0.07 -1.32 0.00 0.00 178.16 177.43 3ag6 h LEU 232 N -0.10 0.40 -2.16 2.82 3.38 -0.78 -2.54 115.31 116.33 3ag6 h LEU 232 Ca 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3ag6 h LEU 232 Cb 0.41 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3ag6 h LEU 232 CO 0.01 0.38 -0.06 -0.33 0.09 0.00 0.00 178.44 178.53 3ag6 h GLU 233 N 0.38 0.00 -0.01 1.13 5.08 -0.89 0.45 114.58 120.72 3ag6 h GLU 233 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3ag6 h GLU 233 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3ag6 h GLU 233 CO -0.02 0.06 -0.30 -1.13 -1.00 0.00 0.00 179.01 176.63 3ag6 n SER 234 N -3.93 0.85 -0.00 1.42 3.41 -0.79 -4.26 113.62 110.31 3ag6 n SER 234 Ca -0.03 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 3ag6 n SER 234 Cb 0.15 0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3ag6 n SER 234 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3ag6 n HIS 235 N -0.88 0.00 -4.28 7.33 8.25 -0.64 -5.06 115.22 119.94 3ag6 n HIS 235 Ca 0.11 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.37 3ag6 n HIS 235 Cb 0.34 -0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.32 3ag6 n HIS 235 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3ag6 s ILE 236 N -2.03 1.54 -1.02 1.59 -4.36 0.05 -4.93 121.20 112.04 3ag6 s ILE 236 Ca -0.00 -1.78 0.23 0.00 -0.26 0.00 0.00 60.65 58.84 3ag6 s ILE 236 Cb 0.00 -1.65 -0.08 0.00 1.25 0.00 0.00 42.46 41.98 3ag6 s ILE 236 CO 0.02 -0.35 1.21 -1.54 0.24 0.00 0.00 174.94 174.52 3ag6 n SER 237 N 0.48 0.73 -4.82 4.36 3.41 -1.26 -4.61 113.62 111.90 3ag6 n SER 237 Ca -0.15 -0.58 -0.30 0.00 -0.26 0.00 0.00 58.87 57.59 3ag6 n SER 237 Cb 0.57 0.55 0.08 0.00 -0.26 0.00 0.00 64.21 65.15 3ag6 n SER 237 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ag6 s GLU 238 N -2.99 2.31 0.00 4.33 8.01 -1.26 -5.02 118.70 124.08 3ag6 s GLU 238 Ca 0.10 0.62 -0.29 0.00 0.01 0.00 0.00 54.97 55.41 3ag6 s GLU 238 Cb 0.17 -1.94 -0.03 0.00 -4.31 0.00 0.00 34.13 28.01 3ag6 s GLU 238 CO 0.76 -1.46 0.93 0.50 0.01 0.00 0.00 175.26 176.00 3ag6 s ARG 239 N -5.19 4.56 -0.48 1.61 3.52 -1.23 -4.96 118.95 116.78 3ag6 s ARG 239 Ca 0.60 1.34 -0.23 0.00 -0.13 0.00 0.00 55.73 57.31 3ag6 s ARG 239 Cb -0.14 -3.45 0.03 0.00 -1.56 0.00 0.00 34.95 29.84 3ag6 s ARG 239 CO 0.54 0.01 0.82 0.42 -0.81 0.00 0.00 175.30 176.27 3ag6 s ILE 240 N 0.83 4.60 0.13 4.11 -1.09 -1.26 -1.91 121.20 126.61 3ag6 s ILE 240 Ca 0.49 0.33 0.03 0.00 -2.23 0.00 0.00 60.65 59.27 3ag6 s ILE 240 Cb -0.21 -4.38 -0.19 0.00 -1.58 0.00 0.00 42.46 36.10 3ag6 s ILE 240 CO 0.27 -0.83 1.30 -0.33 -1.23 0.00 0.00 174.94 174.12 3ag6 h GLU 241 N 9.07 0.13 -2.18 2.79 5.08 -1.04 -3.47 114.58 124.95 3ag6 h GLU 241 Ca -0.25 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 3ag6 h GLU 241 Cb 1.08 0.06 -0.22 0.00 0.50 0.00 0.00 28.75 30.17 3ag6 h GLU 241 CO 0.99 1.01 0.04 -2.00 -1.00 0.00 0.00 179.01 178.05 3ag6 s GLU 242 N -2.92 0.75 -0.27 2.33 2.56 -0.75 -4.93 118.70 115.47 3ag6 s GLU 242 Ca -0.02 0.89 -0.01 0.00 0.00 0.00 0.00 54.97 55.83 3ag6 s GLU 242 Cb 0.10 0.37 0.13 0.00 2.00 0.00 0.00 34.13 36.72 3ag6 s GLU 242 CO 0.83 -0.09 0.29 0.08 -0.56 0.00 0.00 175.26 175.81 3ag6 s VAL 243 N 0.34 -0.40 0.09 3.70 1.01 -1.25 -1.86 120.40 122.02 3ag6 s VAL 243 Ca -0.00 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3ag6 s VAL 243 Cb -0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3ag6 s VAL 243 CO 0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 175.10 174.66 3ag6 s ALA 244 N 2.37 0.91 -0.21 5.51 0.00 -0.71 -4.95 121.76 124.68 3ag6 s ALA 244 Ca 0.09 -1.34 -0.00 0.00 0.00 0.00 0.00 51.96 50.71 3ag6 s ALA 244 Cb -0.14 0.20 0.06 0.00 0.00 0.00 0.00 23.12 23.23 3ag6 s ALA 244 CO -0.28 -0.26 -0.04 0.08 0.00 0.00 0.00 175.76 175.25 3ag6 s VAL 245 N -3.68 1.32 0.14 0.00 1.01 -1.26 -1.57 120.40 116.36 3ag6 s VAL 245 Ca 0.12 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.15 3ag6 s VAL 245 Cb 0.06 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3ag6 s VAL 245 CO -0.05 -0.06 -0.13 -0.31 0.00 0.00 0.00 175.10 174.55 3ag6 s TYR 246 N 1.50 1.43 0.70 5.22 1.51 -1.09 -1.29 117.35 125.34 3ag6 s TYR 246 Ca -0.04 -0.61 -0.13 0.00 -1.01 0.00 0.00 57.07 55.28 3ag6 s TYR 246 Cb -0.18 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 40.97 3ag6 s TYR 246 CO -0.07 0.17 1.11 -1.54 -1.11 0.00 0.00 175.55 174.11 3ag6 s SER 247 N -2.79 4.84 -0.02 2.29 1.04 0.17 -1.17 113.70 118.07 3ag6 s SER 247 Ca 0.13 1.95 -0.01 0.00 0.48 0.00 0.00 55.95 58.51 3ag6 s SER 247 Cb -0.02 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.57 3ag6 s SER 247 CO 0.03 -1.81 0.04 -0.47 0.98 0.00 0.00 173.24 172.01 3ag6 s TYR 248 N -2.52 -0.02 -1.80 5.02 6.14 -0.89 -1.17 117.35 122.10 3ag6 s TYR 248 Ca 0.65 0.14 0.09 0.00 0.64 0.00 0.00 57.07 58.59 3ag6 s TYR 248 Cb -0.20 -0.10 0.27 0.00 0.42 0.00 0.00 41.96 42.35 3ag6 s TYR 248 CO 0.47 -0.06 1.18 -0.35 0.64 0.00 0.00 175.55 177.43 3ag6 n PRO 249 N 3.66 1.82 0.23 4.97 -0.04 -1.26 -4.60 135.00 139.78 3ag6 n PRO 249 Ca -0.20 -1.09 0.08 0.00 -0.04 0.00 0.00 63.50 62.25 3ag6 n PRO 249 Cb 0.55 -1.32 0.57 0.00 -0.04 0.00 0.00 33.50 33.26 3ag6 n PRO 249 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3ag6 h GLN 250 N 1.70 0.00 -5.48 0.54 7.50 -1.95 -3.48 115.11 113.95 3ag6 h GLN 250 Ca 0.00 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 58.81 3ag6 h GLN 250 Cb 0.50 0.00 0.15 0.00 0.05 0.00 0.00 27.48 28.18 3ag6 h GLN 250 CO 0.03 0.20 -0.69 1.28 -1.50 0.00 0.00 178.83 178.15 3ag6 n LEU 251 N -3.87 -3.69 -4.46 1.46 4.77 -0.32 -4.93 117.00 105.96 3ag6 n LEU 251 Ca -0.02 -0.55 -0.34 0.00 -0.03 0.00 0.00 56.01 55.07 3ag6 n LEU 251 Cb 0.30 -2.94 -0.13 0.00 -2.33 0.00 0.00 43.42 38.32 3ag6 n LEU 251 CO 0.34 0.46 -0.37 -0.69 -1.33 0.00 0.00 177.39 175.79 3ag6 s VAL 252 N -3.32 3.69 0.23 4.08 1.01 -1.25 -4.83 120.40 120.00 3ag6 s VAL 252 Ca 0.21 -0.43 -0.32 0.00 0.00 0.00 0.00 61.98 61.45 3ag6 s VAL 252 Cb -0.09 -2.61 -0.13 0.00 0.00 0.00 0.00 36.38 33.54 3ag6 s VAL 252 CO 0.69 0.49 1.48 1.21 0.00 0.00 0.00 175.10 178.97 3ag6 n GLU 253 N 3.67 2.17 -4.50 2.72 2.13 -1.26 -0.65 120.64 124.91 3ag6 n GLU 253 Ca -0.18 0.77 -0.33 0.00 0.66 0.00 0.00 57.16 58.09 3ag6 n GLU 253 Cb 0.52 -2.48 -0.15 0.00 0.27 0.00 0.00 31.44 29.60 3ag6 n GLU 253 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3ag6 s GLN 254 N -0.07 3.19 -0.11 5.31 -1.52 -0.41 -4.84 119.66 121.21 3ag6 s GLN 254 Ca 0.70 -0.76 0.10 0.00 -1.95 0.00 0.00 55.36 53.46 3ag6 s GLN 254 Cb -0.63 -2.62 -0.24 0.00 -0.22 0.00 0.00 33.01 29.30 3ag6 s GLN 254 CO 0.46 -0.01 0.42 0.72 -0.25 0.00 0.00 175.29 176.64 3ag6 n HIS 255 N 4.11 0.75 -4.07 0.91 8.25 -1.26 -4.68 115.22 119.22 3ag6 n HIS 255 Ca -0.19 0.24 -0.26 0.00 -0.26 0.00 0.00 57.72 57.25 3ag6 n HIS 255 Cb 0.52 -1.13 -0.17 0.00 1.12 0.00 0.00 29.99 30.33 3ag6 n HIS 255 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3ag6 s GLU 256 N -2.56 1.47 -0.24 -0.41 2.02 -1.26 -0.97 118.70 116.75 3ag6 s GLU 256 Ca -0.11 -0.26 -0.26 0.00 0.02 0.00 0.00 54.97 54.36 3ag6 s GLU 256 Cb 0.07 -1.46 -0.00 0.00 0.10 0.00 0.00 34.13 32.84 3ag6 s GLU 256 CO 0.80 -0.19 0.89 0.42 0.02 0.00 0.00 175.26 177.21 3ag6 s ILE 257 N 1.43 4.79 -0.01 -1.63 1.01 0.27 -4.89 121.20 122.15 3ag6 s ILE 257 Ca -0.01 1.71 0.04 0.00 0.00 0.00 0.00 60.65 62.40 3ag6 s ILE 257 Cb -0.13 -4.18 0.07 0.00 0.01 0.00 0.00 42.46 38.23 3ag6 s ILE 257 CO -0.05 -0.10 1.03 0.35 0.00 0.00 0.00 174.94 176.17 3ag6 n THR 258 N 5.27 0.19 -3.37 2.92 -2.24 -1.26 -4.87 114.28 110.91 3ag6 n THR 258 Ca 0.08 -0.33 -0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3ag6 n THR 258 Cb 0.47 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3ag6 n THR 258 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ag6 n GLY 259 N -0.09 1.41 3.73 3.38 0.00 -1.26 -4.84 105.19 107.52 3ag6 n GLY 259 Ca 0.02 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 3ag6 n GLY 259 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ag6 s ARG 260 N -2.01 4.30 0.26 1.61 3.52 -0.16 -4.55 118.95 121.93 3ag6 s ARG 260 Ca 0.02 2.18 -0.00 0.00 -0.13 0.00 0.00 55.73 57.79 3ag6 s ARG 260 Cb -0.00 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.17 3ag6 s ARG 260 CO 0.01 -0.44 0.26 0.96 -0.81 0.00 0.00 175.30 175.27 3ag6 s ILE 261 N 0.74 0.00 -0.02 4.11 -4.36 0.76 -2.10 121.20 120.33 3ag6 s ILE 261 Ca 0.63 -1.88 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 3ag6 s ILE 261 Cb -0.39 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 40.85 3ag6 s ILE 261 CO 0.34 0.00 -0.04 0.72 0.24 0.00 0.00 174.94 176.20 3ag6 s PHE 262 N -3.81 0.52 -0.33 1.37 -0.71 -0.31 -0.83 117.98 113.87 3ag6 s PHE 262 Ca 0.36 -0.10 -0.12 0.00 -1.04 0.00 0.00 56.93 56.03 3ag6 s PHE 262 Cb 0.04 -0.43 -0.01 0.00 -1.21 0.00 0.00 43.02 41.41 3ag6 s PHE 262 CO 0.17 -0.08 0.21 0.42 -1.34 0.00 0.00 175.22 174.60 3ag6 s ILE 263 N 0.38 4.99 0.18 -4.49 1.01 -0.13 -2.66 121.20 120.48 3ag6 s ILE 263 Ca -0.04 -0.35 0.09 0.00 0.00 0.00 0.00 60.65 60.35 3ag6 s ILE 263 Cb -0.08 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3ag6 s ILE 263 CO -0.00 -0.01 -0.10 -0.94 0.00 0.00 0.00 174.94 173.89 3ag6 s SER 264 N 1.67 4.24 0.10 3.58 1.04 -0.61 -1.78 113.70 121.93 3ag6 s SER 264 Ca 0.05 -0.59 0.05 0.00 0.48 0.00 0.00 55.95 55.94 3ag6 s SER 264 Cb -0.17 -0.71 -0.03 0.00 0.10 0.00 0.00 66.02 65.20 3ag6 s SER 264 CO 0.09 0.10 -0.12 -0.76 0.98 0.00 0.00 173.24 173.53 3ag6 s LEU 265 N -2.84 2.37 -0.15 2.42 1.43 0.23 -1.74 118.68 120.40 3ag6 s LEU 265 Ca 0.25 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.53 3ag6 s LEU 265 Cb -0.09 -0.41 0.07 0.00 0.03 0.00 0.00 46.19 45.79 3ag6 s LEU 265 CO 0.15 -0.19 0.31 0.00 0.23 0.00 0.00 176.35 176.86 3ag6 s ALA 266 N -2.07 -0.76 -0.06 4.21 0.00 -0.78 -2.49 121.76 119.82 3ag6 s ALA 266 Ca 0.04 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.16 3ag6 s ALA 266 Cb -0.05 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.98 3ag6 s ALA 266 CO 0.01 -0.65 -0.14 0.08 0.00 0.00 0.00 175.76 175.07 3ag6 s VAL 267 N 2.40 1.24 -0.32 0.00 1.01 0.20 -0.33 120.40 124.61 3ag6 s VAL 267 Ca -0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 3ag6 s VAL 267 Cb -0.12 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 3ag6 s VAL 267 CO -0.10 0.37 0.17 -0.75 0.00 0.00 0.00 175.10 174.80 3ag6 s LYS 268 N 0.47 3.32 0.27 2.72 2.47 -0.80 -0.98 119.74 127.21 3ag6 s LYS 268 Ca -0.12 -0.74 0.01 0.00 -1.56 0.00 0.00 55.97 53.57 3ag6 s LYS 268 Cb -0.14 -3.63 0.05 0.00 -1.46 0.00 0.00 37.83 32.65 3ag6 s LYS 268 CO 0.04 -0.45 0.37 1.19 0.16 0.00 0.00 175.35 176.66 3ag6 n PHE 269 N 5.01 -3.04 -0.30 4.03 3.01 0.13 -3.47 117.46 122.82 3ag6 n PHE 269 Ca -0.13 -0.75 0.11 0.00 1.01 0.00 0.00 57.45 57.69 3ag6 n PHE 269 Cb 0.49 -0.27 0.28 0.00 -0.01 0.00 0.00 39.48 39.97 3ag6 n PHE 269 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3ag6 h SER 270 N -0.15 0.33 0.00 4.37 4.64 -1.98 -3.37 113.55 117.40 3ag6 h SER 270 Ca -0.12 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3ag6 h SER 270 Cb 0.49 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3ag6 h SER 270 CO 0.15 0.03 -0.51 0.29 -0.87 0.00 0.00 176.83 175.92 3ag6 n LYS 271 N -5.03 0.00 -2.51 4.77 4.76 -1.26 -5.07 118.16 113.83 3ag6 n LYS 271 Ca 0.20 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.23 3ag6 n LYS 271 Cb 0.59 -0.63 -0.03 0.00 -1.84 0.00 0.00 35.03 33.12 3ag6 n LYS 271 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ag6 s ALA 272 N -1.63 3.34 -0.34 7.82 0.00 -1.26 -5.00 121.76 124.69 3ag6 s ALA 272 Ca 0.00 0.78 -0.02 0.00 0.00 0.00 0.00 51.96 52.72 3ag6 s ALA 272 Cb 0.00 -3.39 0.08 0.00 0.00 0.00 0.00 23.12 19.81 3ag6 s ALA 272 CO 0.00 -0.30 0.08 0.50 0.00 0.00 0.00 175.76 176.04 3ag6 s ARG 273 N 0.41 2.20 0.09 0.00 3.52 -1.26 0.19 118.95 124.10 3ag6 s ARG 273 Ca 0.53 -1.51 0.01 0.00 -0.13 0.00 0.00 55.73 54.64 3ag6 s ARG 273 Cb -0.28 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 3ag6 s ARG 273 CO 0.31 -0.81 0.20 -0.51 -0.81 0.00 0.00 175.30 173.68 3ag6 s LEU 274 N 1.19 4.23 0.12 -0.88 1.43 -0.15 -4.93 118.68 119.70 3ag6 s LEU 274 Ca 0.01 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 3ag6 s LEU 274 Cb -0.21 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 3ag6 s LEU 274 CO -0.03 0.14 -0.09 0.27 0.23 0.00 0.00 176.35 176.88 3ag6 s ILE 275 N -1.55 0.95 0.15 -0.59 -4.36 -1.26 -0.62 121.20 113.91 3ag6 s ILE 275 Ca 0.34 -1.99 -0.24 0.00 -0.26 0.00 0.00 60.65 58.49 3ag6 s ILE 275 Cb -0.12 -1.76 0.06 0.00 1.25 0.00 0.00 42.46 41.89 3ag6 s ILE 275 CO 0.27 -0.80 0.80 -0.62 0.24 0.00 0.00 174.94 174.83 3ag6 s ASP 276 N -3.09 -0.34 0.09 4.36 -1.08 -1.04 -4.93 116.67 110.64 3ag6 s ASP 276 Ca 0.14 -0.25 -0.27 0.00 -0.52 0.00 0.00 52.55 51.65 3ag6 s ASP 276 Cb 0.04 0.55 0.08 0.00 -1.46 0.00 0.00 42.92 42.13 3ag6 s ASP 276 CO -0.02 -0.96 1.07 0.54 0.52 0.00 0.00 175.17 176.32 3ag6 s ASN 277 N -2.78 -0.14 -0.00 -0.34 2.20 -1.26 -0.60 114.94 112.01 3ag6 s ASN 277 Ca 0.07 -0.29 0.00 0.00 -0.94 0.00 0.00 52.86 51.70 3ag6 s ASN 277 Cb -0.02 0.37 0.00 0.00 -2.00 0.00 0.00 41.25 39.60 3ag6 s ASN 277 CO -0.03 -0.68 -0.01 0.27 -2.94 0.00 0.00 177.10 173.70 3ag6 s ILE 278 N -2.98 0.12 -0.19 0.54 -4.36 -0.74 -4.98 121.20 108.61 3ag6 s ILE 278 Ca 0.13 -0.05 -0.04 0.00 -0.26 0.00 0.00 60.65 60.43 3ag6 s ILE 278 Cb 0.01 -0.12 -0.02 0.00 1.25 0.00 0.00 42.46 43.58 3ag6 s ILE 278 CO -0.00 0.04 -0.04 -0.63 0.24 0.00 0.00 174.94 174.56 3ag6 s ILE 279 N 0.07 3.65 0.07 8.37 1.01 -1.26 -0.95 121.20 132.15 3ag6 s ILE 279 Ca -0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 3ag6 s ILE 279 Cb -0.02 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 3ag6 s ILE 279 CO -0.00 0.45 0.14 0.27 0.00 0.00 0.00 174.94 175.79 3ag6 s ILE 280 N 0.97 0.15 0.00 2.92 -0.00 -0.01 -5.00 121.20 120.24 3ag6 s ILE 280 Ca 0.00 -1.25 0.00 0.00 -0.00 0.00 0.00 60.65 59.40 3ag6 s ILE 280 Cb -0.15 -1.27 0.00 0.00 -0.00 0.00 0.00 42.46 41.05 3ag6 s ILE 280 CO 0.01 -0.69 0.00 0.61 -0.00 0.00 0.00 174.94 174.87 3ag6 n GLY 281 N 0.16 2.88 0.06 6.27 0.00 -1.26 -0.17 105.19 113.14 3ag6 n GLY 281 Ca -0.16 -1.95 -0.03 0.00 0.00 0.00 0.00 46.02 43.88 3ag6 n GLY 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag6 h ALA 282 N 0.00 0.00 0.00 4.61 0.00 -1.94 -3.41 119.26 118.52 3ag6 h ALA 282 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3ag6 h ALA 282 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ag6 h ALA 282 CO 0.00 0.31 0.00 0.39 0.00 0.00 0.00 179.25 179.95