#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag5 s THR 2 N 0.00 4.81 0.45 3.17 2.01 -1.26 -4.94 115.64 119.88 3ag5 s THR 2 Ca 0.00 -0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.77 3ag5 s THR 2 Cb 0.00 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 69.21 3ag5 s THR 2 CO 0.00 0.42 0.98 -0.54 -0.69 0.00 0.00 174.62 174.79 3ag5 s LYS 3 N 0.73 4.08 -0.27 4.92 1.02 -0.64 -4.91 119.74 124.67 3ag5 s LYS 3 Ca 0.04 1.19 0.02 0.00 0.02 0.00 0.00 55.97 57.24 3ag5 s LYS 3 Cb -0.13 -2.15 0.06 0.00 -0.52 0.00 0.00 37.83 35.09 3ag5 s LYS 3 CO 0.02 -0.17 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.03 3ag5 s LEU 4 N -3.31 3.63 -0.28 3.17 1.98 -1.26 -0.96 118.68 121.64 3ag5 s LEU 4 Ca 0.64 -1.41 -0.12 0.00 -2.89 0.00 0.00 54.13 50.35 3ag5 s LEU 4 Cb -0.11 -1.59 -0.05 0.00 0.66 0.00 0.00 46.19 45.10 3ag5 s LEU 4 CO 0.16 -0.22 0.22 -0.63 -1.89 0.00 0.00 176.35 173.99 3ag5 s ILE 5 N 1.13 5.29 -2.20 6.68 -1.09 -0.29 -4.98 121.20 125.73 3ag5 s ILE 5 Ca -0.07 0.19 0.22 0.00 -2.23 0.00 0.00 60.65 58.76 3ag5 s ILE 5 Cb -0.20 -3.56 0.46 0.00 -1.58 0.00 0.00 42.46 37.58 3ag5 s ILE 5 CO -0.04 0.22 1.41 0.35 -1.23 0.00 0.00 174.94 175.64 3ag5 n THR 6 N 5.07 0.65 -4.10 2.92 -2.24 -1.26 -0.51 114.28 114.81 3ag5 n THR 6 Ca -0.13 -0.82 -0.14 0.00 -2.27 0.00 0.00 64.05 60.68 3ag5 n THR 6 Cb 0.52 0.84 -0.12 0.00 -2.10 0.00 0.00 70.33 69.47 3ag5 n THR 6 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ag5 s THR 7 N -1.31 0.58 0.06 4.28 -4.23 -1.26 -4.24 115.64 109.53 3ag5 s THR 7 Ca 0.40 -0.95 -0.21 0.00 -1.18 0.00 0.00 61.69 59.74 3ag5 s THR 7 Cb 0.22 -0.61 -0.12 0.00 1.34 0.00 0.00 72.50 73.33 3ag5 s THR 7 CO 0.31 -0.27 1.53 0.58 -0.54 0.00 0.00 174.62 176.22 3ag5 h VAL 8 N 4.57 1.22 -0.37 2.29 2.07 -1.92 -1.96 116.25 122.15 3ag5 h VAL 8 Ca -0.35 -0.70 0.08 0.00 0.82 0.00 0.00 66.70 66.55 3ag5 h VAL 8 Cb 1.20 1.41 -0.09 0.00 -1.52 0.00 0.00 31.29 32.29 3ag5 h VAL 8 CO 0.42 0.21 -0.31 0.50 0.02 0.00 0.00 177.57 178.41 3ag5 h LYS 9 N 0.02 -0.24 -0.68 1.57 3.11 -1.96 0.14 116.57 118.52 3ag5 h LYS 9 Ca 0.04 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.89 3ag5 h LYS 9 Cb 0.30 0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.55 3ag5 h LYS 9 CO 0.00 -0.16 0.38 1.49 -2.81 0.00 0.00 179.45 178.35 3ag5 h GLU 10 N -0.25 0.95 -0.36 1.90 4.81 -1.98 -1.45 114.58 118.20 3ag5 h GLU 10 Ca 0.17 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3ag5 h GLU 10 Cb 0.52 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3ag5 h GLU 10 CO -0.51 0.71 0.23 1.98 -0.73 0.00 0.00 179.01 180.69 3ag5 h MET 11 N 0.93 0.48 -0.51 1.92 4.05 -0.46 -0.37 114.93 120.97 3ag5 h MET 11 Ca 0.24 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.60 3ag5 h MET 11 Cb 0.03 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 3ag5 h MET 11 CO -0.04 0.33 0.20 1.96 0.23 0.00 0.00 176.91 179.59 3ag5 h GLN 12 N 0.48 0.77 -0.21 0.39 4.20 -0.83 -1.41 115.11 118.50 3ag5 h GLN 12 Ca 0.13 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.74 3ag5 h GLN 12 Cb -0.04 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 3ag5 h GLN 12 CO -0.03 0.68 -0.06 1.25 -0.67 0.00 0.00 178.83 180.01 3ag5 h HIS 13 N 0.68 -0.13 0.60 2.96 2.76 -0.97 0.43 115.15 121.49 3ag5 h HIS 13 Ca 0.17 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 3ag5 h HIS 13 Cb 0.21 0.09 0.01 0.00 1.55 0.00 0.00 27.41 29.26 3ag5 h HIS 13 CO 0.01 -0.10 -0.29 0.82 -1.30 0.00 0.00 177.93 177.07 3ag5 h ILE 14 N -0.01 0.41 -0.77 6.26 2.04 -0.82 -1.91 117.51 122.71 3ag5 h ILE 14 Ca 0.10 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.98 3ag5 h ILE 14 Cb 0.17 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3ag5 h ILE 14 CO -0.22 0.00 0.50 0.58 0.00 0.00 0.00 178.15 179.01 3ag5 h VAL 15 N -0.81 1.15 0.03 1.67 2.07 -1.11 -0.35 116.25 118.89 3ag5 h VAL 15 Ca -0.08 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.11 3ag5 h VAL 15 Cb 0.62 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3ag5 h VAL 15 CO 0.14 0.18 -0.09 0.50 0.02 0.00 0.00 177.57 178.32 3ag5 h LYS 16 N 0.99 -0.16 0.00 1.57 1.63 -0.05 -0.86 116.57 119.68 3ag5 h LYS 16 Ca 0.30 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 3ag5 h LYS 16 Cb -0.04 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 3ag5 h LYS 16 CO -0.09 -0.11 0.00 0.00 -3.45 0.00 0.00 179.45 175.80 3ag5 h ALA 17 N 0.78 1.00 0.16 5.00 0.00 -1.12 -2.94 119.26 122.14 3ag5 h ALA 17 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.61 3ag5 h ALA 17 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ag5 h ALA 17 CO -0.07 0.00 -1.63 0.00 0.00 0.00 0.00 179.25 177.54 3ag5 h ALA 18 N 2.27 0.19 -0.08 0.00 0.00 -0.23 -3.34 119.26 118.07 3ag5 h ALA 18 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 54.91 53.68 3ag5 h ALA 18 Cb 0.45 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3ag5 h ALA 18 CO 0.00 1.05 -0.48 0.87 0.00 0.00 0.00 179.25 180.69 3ag5 h LYS 19 N 0.09 0.20 -0.01 0.00 1.57 -1.06 -2.83 116.57 114.54 3ag5 h LYS 19 Ca -0.29 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3ag5 h LYS 19 Cb 2.07 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.38 3ag5 h LYS 19 CO 0.18 0.64 0.00 0.54 -0.57 0.00 0.00 179.45 180.24 3ag5 n ARG 20 N -3.97 0.04 -3.62 3.15 5.12 -1.12 -3.54 116.66 112.72 3ag5 n ARG 20 Ca -0.02 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.77 3ag5 n ARG 20 Cb 0.52 -1.00 -0.12 0.00 -1.16 0.00 0.00 32.46 30.70 3ag5 n ARG 20 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3ag5 s SER 21 N -1.84 0.39 0.00 0.55 0.01 -1.07 -5.04 113.70 106.70 3ag5 s SER 21 Ca 0.00 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.78 3ag5 s SER 21 Cb 0.00 0.78 0.00 0.00 0.21 0.00 0.00 66.02 67.01 3ag5 s SER 21 CO 0.00 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.01 3ag5 n GLY 22 N 5.35 0.00 3.64 3.44 0.00 -1.23 -4.77 105.19 111.62 3ag5 n GLY 22 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 3ag5 n GLY 22 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ag5 s THR 23 N 0.01 5.01 0.87 2.61 -1.32 -1.25 -5.06 115.64 116.51 3ag5 s THR 23 Ca 0.00 1.13 -0.12 0.00 -1.21 0.00 0.00 61.69 61.50 3ag5 s THR 23 Cb 0.00 -3.93 0.11 0.00 -1.51 0.00 0.00 72.50 67.17 3ag5 s THR 23 CO 0.00 0.07 1.09 0.42 -2.21 0.00 0.00 174.62 173.99 3ag5 s THR 24 N 2.23 2.74 -0.03 5.08 -4.23 -1.26 -4.58 115.64 115.59 3ag5 s THR 24 Ca 0.27 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3ag5 s THR 24 Cb -0.16 -2.81 0.03 0.00 1.34 0.00 0.00 72.50 70.90 3ag5 s THR 24 CO 0.09 -0.32 0.01 -0.63 -0.54 0.00 0.00 174.62 173.23 3ag5 s ILE 25 N -3.01 0.16 0.01 2.99 1.01 -1.26 -2.74 121.20 118.36 3ag5 s ILE 25 Ca 0.63 0.12 0.01 0.00 0.00 0.00 0.00 60.65 61.40 3ag5 s ILE 25 Cb -0.17 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 3ag5 s ILE 25 CO 0.56 0.15 0.04 -0.83 0.00 0.00 0.00 174.94 174.86 3ag5 s GLY 26 N 1.17 1.95 -0.04 6.18 0.00 -0.68 -0.16 107.32 115.74 3ag5 s GLY 26 Ca -0.08 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 43.71 3ag5 s GLY 26 CO -0.02 -0.81 -0.00 -0.12 0.00 0.00 0.00 173.10 172.14 3ag5 s PHE 27 N -1.16 0.42 -0.32 1.90 5.36 0.51 -0.90 117.98 123.79 3ag5 s PHE 27 Ca 0.22 -0.04 0.02 0.00 -0.96 0.00 0.00 56.93 56.17 3ag5 s PHE 27 Cb -0.12 -0.53 0.08 0.00 -0.34 0.00 0.00 43.02 42.12 3ag5 s PHE 27 CO 0.13 -0.18 0.01 0.42 -1.46 0.00 0.00 175.22 174.14 3ag5 s ILE 28 N 1.27 2.45 0.03 3.12 1.09 -0.53 -0.98 121.20 127.65 3ag5 s ILE 28 Ca -0.06 -1.96 -0.27 0.00 -1.10 0.00 0.00 60.65 57.25 3ag5 s ILE 28 Cb -0.13 -2.62 -0.05 0.00 -1.06 0.00 0.00 42.46 38.60 3ag5 s ILE 28 CO -0.02 -0.36 0.87 -2.16 -0.10 0.00 0.00 174.94 173.16 3ag5 s PRO 29 N 1.04 4.56 0.27 2.79 0.04 -1.26 -1.83 135.00 140.61 3ag5 s PRO 29 Ca 0.02 1.24 -0.07 0.00 0.04 0.00 0.00 61.00 62.23 3ag5 s PRO 29 Cb -0.20 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 3ag5 s PRO 29 CO -0.06 0.14 0.39 0.95 0.04 0.00 0.00 177.00 178.46 3ag5 s THR 30 N 0.39 0.00 -0.62 1.26 -4.23 -0.09 -4.93 115.64 107.43 3ag5 s THR 30 Ca 0.44 -1.61 0.12 0.00 -1.18 0.00 0.00 61.69 59.46 3ag5 s THR 30 Cb -0.21 -2.41 0.34 0.00 1.34 0.00 0.00 72.50 71.56 3ag5 s THR 30 CO 0.25 0.00 1.28 0.23 -0.54 0.00 0.00 174.62 175.84 3ag5 n MET 31 N -0.42 2.85 0.00 3.99 2.81 -1.26 -1.85 117.12 123.25 3ag5 n MET 31 Ca 0.00 -2.24 0.00 0.00 -1.81 0.00 0.00 57.70 53.65 3ag5 n MET 31 Cb 0.63 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 3ag5 n MET 31 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ag5 n GLY 32 N 0.09 -2.03 3.65 3.03 0.00 -1.26 -4.49 105.19 104.18 3ag5 n GLY 32 Ca 0.13 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 3ag5 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag5 n ALA 33 N 0.01 -2.49 -1.78 4.61 0.00 -1.26 -4.87 120.51 114.72 3ag5 n ALA 33 Ca 0.00 -0.20 -0.37 0.00 0.00 0.00 0.00 53.44 52.87 3ag5 n ALA 33 Cb 0.00 -4.08 -0.05 0.00 0.00 0.00 0.00 19.45 15.32 3ag5 n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ag5 s LEU 34 N -6.40 4.30 0.00 0.00 1.43 -1.26 -5.07 118.68 111.67 3ag5 s LEU 34 Ca 0.43 1.97 0.03 0.00 -1.03 0.00 0.00 54.13 55.53 3ag5 s LEU 34 Cb -0.14 -4.02 -0.01 0.00 0.03 0.00 0.00 46.19 42.04 3ag5 s LEU 34 CO 0.85 -0.23 0.11 0.00 0.23 0.00 0.00 176.35 177.31 3ag5 n HIS 35 N 0.42 0.13 0.29 0.29 1.44 -1.26 -4.99 115.22 111.54 3ag5 n HIS 35 Ca 0.03 -2.07 0.13 0.00 -2.01 0.00 0.00 57.72 53.80 3ag5 n HIS 35 Cb 0.49 -0.01 0.85 0.00 0.12 0.00 0.00 29.99 31.44 3ag5 n HIS 35 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 3ag5 h ASP 36 N 1.28 0.00 0.04 4.39 3.45 -1.99 -0.58 116.42 123.01 3ag5 h ASP 36 Ca -0.25 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.20 3ag5 h ASP 36 Cb 0.96 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.73 3ag5 h ASP 36 CO 0.40 0.00 -0.03 1.23 -1.57 0.00 0.00 179.24 179.27 3ag5 h GLY 37 N 0.02 0.00 0.14 2.75 0.00 -1.99 -1.90 103.07 102.10 3ag5 h GLY 37 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3ag5 h GLY 37 CO 0.00 0.00 -0.10 0.45 0.00 0.00 0.00 176.54 176.89 3ag5 h HIS 38 N 0.00 0.07 -0.58 5.60 3.86 -1.51 -3.32 115.15 119.27 3ag5 h HIS 38 Ca -0.00 -0.05 0.12 0.00 -1.16 0.00 0.00 60.37 59.28 3ag5 h HIS 38 Cb 0.06 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 3ag5 h HIS 38 CO 0.00 0.99 0.40 -0.07 0.86 0.00 0.00 177.93 180.11 3ag5 h LEU 39 N -0.87 0.27 -1.77 2.43 3.38 -1.31 0.55 115.31 118.01 3ag5 h LEU 39 Ca -0.02 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3ag5 h LEU 39 Cb 1.03 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3ag5 h LEU 39 CO 0.02 0.16 0.18 0.74 0.09 0.00 0.00 178.44 179.62 3ag5 h THR 40 N 0.30 1.04 0.05 0.22 2.02 -1.44 0.15 112.91 115.24 3ag5 h THR 40 Ca 0.28 -0.11 -0.20 0.00 0.77 0.00 0.00 66.41 67.15 3ag5 h THR 40 Cb 0.68 0.70 0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3ag5 h THR 40 CO -0.06 0.06 -0.80 0.24 0.37 0.00 0.00 175.52 175.32 3ag5 h MET 41 N 0.32 0.46 -0.15 6.66 2.86 -0.04 -3.04 114.93 121.99 3ag5 h MET 41 Ca 0.10 -0.56 -0.08 0.00 -2.06 0.00 0.00 59.70 57.10 3ag5 h MET 41 Cb 0.03 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3ag5 h MET 41 CO -0.02 1.20 -0.26 0.28 1.06 0.00 0.00 176.91 179.17 3ag5 h VAL 42 N -0.04 1.25 0.11 -2.22 2.07 -0.52 -2.55 116.25 114.35 3ag5 h VAL 42 Ca -0.11 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 3ag5 h VAL 42 Cb 1.53 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 3ag5 h VAL 42 CO 0.16 0.36 -0.05 0.03 0.02 0.00 0.00 177.57 178.08 3ag5 h ARG 43 N 0.25 -0.14 -0.90 1.57 3.08 -0.79 -1.20 114.38 116.25 3ag5 h ARG 43 Ca 0.04 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.21 3ag5 h ARG 43 Cb 0.61 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.62 3ag5 h ARG 43 CO 0.04 0.16 0.58 1.49 -1.07 0.00 0.00 179.97 181.17 3ag5 h GLU 44 N -0.45 0.80 -0.13 0.04 4.57 -1.42 -1.45 114.58 116.53 3ag5 h GLU 44 Ca -0.02 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 3ag5 h GLU 44 Cb 0.37 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3ag5 h GLU 44 CO 0.02 0.53 -0.07 1.03 -1.18 0.00 0.00 179.01 179.34 3ag5 h SER 45 N 0.82 0.29 0.12 1.04 0.87 -1.31 -3.04 113.55 112.34 3ag5 h SER 45 Ca 0.43 -0.42 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 3ag5 h SER 45 Cb 0.52 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3ag5 h SER 45 CO -0.19 0.65 -0.07 0.58 -0.53 0.00 0.00 176.83 177.26 3ag5 h VAL 46 N -0.07 0.81 0.00 2.23 2.07 -0.46 -1.15 116.25 119.68 3ag5 h VAL 46 Ca 0.03 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 3ag5 h VAL 46 Cb 0.54 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3ag5 h VAL 46 CO 0.02 0.07 -0.69 0.77 0.02 0.00 0.00 177.57 177.76 3ag5 h SER 47 N 0.00 0.00 0.00 0.57 4.64 -1.26 -3.35 113.55 114.14 3ag5 h SER 47 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3ag5 h SER 47 Cb 0.15 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 3ag5 h SER 47 CO 0.01 0.56 -0.41 0.35 -0.87 0.00 0.00 176.83 176.47 3ag5 n THR 48 N -3.18 1.92 -3.68 2.95 -2.24 -0.95 -5.04 114.28 104.06 3ag5 n THR 48 Ca -0.00 -2.76 -0.14 0.00 -2.27 0.00 0.00 64.05 58.87 3ag5 n THR 48 Cb 0.77 -0.14 -0.08 0.00 -2.10 0.00 0.00 70.33 68.78 3ag5 n THR 48 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3ag5 s ASN 49 N -3.01 -0.43 0.06 3.42 0.01 -0.48 -5.01 114.94 109.50 3ag5 s ASN 49 Ca 0.35 0.59 -0.23 0.00 -0.71 0.00 0.00 52.86 52.85 3ag5 s ASN 49 Cb 0.34 0.63 -0.16 0.00 0.41 0.00 0.00 41.25 42.47 3ag5 s ASN 49 CO -0.05 -0.38 1.58 0.44 -1.51 0.00 0.00 177.10 177.18 3ag5 h ASP 50 N 4.23 0.04 -3.78 -1.22 3.45 -1.87 -3.44 116.42 113.84 3ag5 h ASP 50 Ca -0.28 -0.17 -0.37 0.00 0.43 0.00 0.00 57.03 56.63 3ag5 h ASP 50 Cb 1.17 -0.01 -0.30 0.00 -0.56 0.00 0.00 39.33 39.62 3ag5 h ASP 50 CO 0.32 0.20 -0.77 0.27 -1.57 0.00 0.00 179.24 177.69 3ag5 s ILE 51 N -5.52 0.54 -0.13 0.35 -4.36 -1.11 -5.01 121.20 105.97 3ag5 s ILE 51 Ca -0.14 -0.23 -0.02 0.00 -0.26 0.00 0.00 60.65 60.00 3ag5 s ILE 51 Cb 0.05 -0.50 -0.03 0.00 1.25 0.00 0.00 42.46 43.24 3ag5 s ILE 51 CO 0.67 0.18 -0.06 -0.89 0.24 0.00 0.00 174.94 175.08 3ag5 s THR 52 N 0.23 3.72 -0.10 8.37 2.01 -1.26 -1.68 115.64 126.93 3ag5 s THR 52 Ca -0.03 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.57 3ag5 s THR 52 Cb -0.07 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 3ag5 s THR 52 CO -0.00 0.52 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.62 3ag5 s ILE 53 N 0.10 2.40 -0.14 1.82 1.01 -0.08 -1.34 121.20 124.98 3ag5 s ILE 53 Ca -0.02 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.73 3ag5 s ILE 53 Cb -0.14 -1.94 -0.00 0.00 0.01 0.00 0.00 42.46 40.39 3ag5 s ILE 53 CO 0.03 0.55 -0.16 -0.69 0.00 0.00 0.00 174.94 174.67 3ag5 s VAL 54 N 0.20 2.64 -0.11 2.92 1.01 0.35 -1.46 120.40 125.95 3ag5 s VAL 54 Ca -0.12 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 3ag5 s VAL 54 Cb -0.16 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 3ag5 s VAL 54 CO 0.07 0.53 0.05 -0.94 0.00 0.00 0.00 175.10 174.81 3ag5 s SER 55 N 0.60 5.66 -0.33 3.32 1.04 -0.76 -0.67 113.70 122.56 3ag5 s SER 55 Ca -0.09 0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.60 3ag5 s SER 55 Cb -0.16 -1.73 0.10 0.00 0.10 0.00 0.00 66.02 64.33 3ag5 s SER 55 CO 0.03 0.36 0.06 -0.69 0.98 0.00 0.00 173.24 173.98 3ag5 s VAL 56 N -0.77 1.82 -0.07 5.02 1.01 -0.22 -0.91 120.40 126.28 3ag5 s VAL 56 Ca 0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.06 3ag5 s VAL 56 Cb -0.12 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.96 3ag5 s VAL 56 CO 0.03 -0.60 0.14 0.12 0.00 0.00 0.00 175.10 174.78 3ag5 s PHE 57 N 1.14 -0.13 -0.57 5.22 5.36 -0.77 -4.48 117.98 123.75 3ag5 s PHE 57 Ca 0.10 0.53 -0.25 0.00 -0.96 0.00 0.00 56.93 56.35 3ag5 s PHE 57 Cb -0.18 -0.28 0.04 0.00 -0.34 0.00 0.00 43.02 42.25 3ag5 s PHE 57 CO -0.13 -0.24 0.99 0.08 -1.46 0.00 0.00 175.22 174.45 3ag5 s VAL 58 N 2.15 4.31 -0.51 3.12 1.01 -1.26 -4.36 120.40 124.86 3ag5 s VAL 58 Ca 0.02 0.31 -0.28 0.00 0.00 0.00 0.00 61.98 62.03 3ag5 s VAL 58 Cb -0.12 -4.59 0.02 0.00 0.00 0.00 0.00 36.38 31.69 3ag5 s VAL 58 CO -0.05 -1.20 1.30 0.21 0.00 0.00 0.00 175.10 175.36 3ag5 s ASN 59 N 2.96 6.37 0.62 3.32 2.47 -1.26 -4.93 114.94 124.49 3ag5 s ASN 59 Ca 0.31 0.42 0.33 0.00 0.42 0.00 0.00 52.86 54.35 3ag5 s ASN 59 Cb -0.12 -2.55 1.87 0.00 -1.45 0.00 0.00 41.25 39.00 3ag5 s ASN 59 CO 0.19 -1.48 2.17 1.55 -3.72 0.00 0.00 177.10 175.80 3ag5 h PRO 60 N 10.21 0.00 0.00 0.43 0.13 -1.98 -2.83 132.00 137.97 3ag5 h PRO 60 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3ag5 h PRO 60 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3ag5 h PRO 60 CO 1.15 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.20 3ag5 n LEU 61 N -3.50 0.00 -2.36 1.56 4.77 -1.26 -3.41 117.00 112.80 3ag5 n LEU 61 Ca -0.01 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.81 3ag5 n LEU 61 Cb 0.23 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3ag5 n LEU 61 CO 0.24 0.00 0.11 0.00 -1.33 0.00 0.00 177.39 176.40 3ag5 n GLN 62 N -0.92 2.88 0.00 3.23 10.64 -1.07 -3.99 117.38 128.16 3ag5 n GLN 62 Ca 0.15 -3.96 0.00 0.00 -1.83 0.00 0.00 57.00 51.37 3ag5 n GLN 62 Cb 0.07 -2.01 0.00 0.00 -0.86 0.00 0.00 30.24 27.44 3ag5 n GLN 62 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3ag5 n PHE 63 N -0.60 0.00 0.00 2.61 0.99 -1.22 -5.03 117.46 114.20 3ag5 n PHE 63 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.75 3ag5 n PHE 63 Cb 0.87 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.35 3ag5 n PHE 63 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3ag5 n ASP 68 N 0.00 0.00 -0.11 4.37 -0.08 -1.26 -5.06 116.55 114.41 3ag5 n ASP 68 Ca 0.00 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.09 3ag5 n ASP 68 Cb 0.00 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.37 3ag5 n ASP 68 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3ag5 n PHE 69 N 0.00 0.00 0.59 -0.67 7.35 -1.26 -4.52 117.46 118.95 3ag5 n PHE 69 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 3ag5 n PHE 69 Cb 0.00 -0.83 0.05 0.00 0.35 0.00 0.00 39.48 39.05 3ag5 n PHE 69 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3ag5 n ASP 70 N -3.48 2.80 -0.05 -2.13 3.85 -1.26 -3.13 116.55 113.14 3ag5 n ASP 70 Ca -0.41 -2.27 -0.03 0.00 -0.71 0.00 0.00 54.79 51.37 3ag5 n ASP 70 Cb 0.88 -0.56 -0.11 0.00 -1.35 0.00 0.00 41.12 39.98 3ag5 n ASP 70 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ag5 n ALA 71 N 0.17 1.91 -1.62 2.12 0.00 -1.26 -4.99 120.51 116.83 3ag5 n ALA 71 Ca 0.10 -0.75 -0.45 0.00 0.00 0.00 0.00 53.44 52.34 3ag5 n ALA 71 Cb 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 3ag5 n ALA 71 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3ag5 n TYR 72 N -2.37 1.59 -1.72 0.00 4.19 -1.18 -4.87 117.16 112.80 3ag5 n TYR 72 Ca -0.17 0.63 -0.42 0.00 3.31 0.00 0.00 57.90 61.25 3ag5 n TYR 72 Cb 0.79 -2.32 -0.01 0.00 0.49 0.00 0.00 39.34 38.29 3ag5 n TYR 72 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3ag5 n PRO 73 N 1.13 2.35 -3.67 2.98 -0.04 -1.26 -5.01 135.00 131.48 3ag5 n PRO 73 Ca 0.10 0.83 -0.25 0.00 -0.04 0.00 0.00 63.50 64.14 3ag5 n PRO 73 Cb 0.31 -2.49 -0.17 0.00 -0.04 0.00 0.00 33.50 31.11 3ag5 n PRO 73 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3ag5 s ARG 74 N -1.55 0.25 -0.37 0.54 0.52 -1.26 -4.64 118.95 112.44 3ag5 s ARG 74 Ca 0.58 -0.05 0.12 0.00 -0.52 0.00 0.00 55.73 55.86 3ag5 s ARG 74 Cb -0.54 -1.53 0.35 0.00 0.52 0.00 0.00 34.95 33.75 3ag5 s ARG 74 CO 0.59 -0.55 0.76 0.00 0.02 0.00 0.00 175.30 176.12 3ag5 n GLN 75 N 5.21 0.98 0.02 3.54 10.64 -1.26 -4.93 117.38 131.58 3ag5 n GLN 75 Ca -0.07 -3.29 0.20 0.00 -1.83 0.00 0.00 57.00 52.01 3ag5 n GLN 75 Cb 0.49 -1.66 0.71 0.00 -0.86 0.00 0.00 30.24 28.91 3ag5 n GLN 75 CO 0.00 0.00 0.00 0.97 -1.83 0.00 0.00 177.06 176.20 3ag5 h ILE 76 N 1.15 0.68 0.29 -0.39 6.09 -1.98 0.06 117.51 123.41 3ag5 h ILE 76 Ca 0.08 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.57 3ag5 h ILE 76 Cb 0.98 0.73 -0.02 0.00 0.47 0.00 0.00 36.82 38.98 3ag5 h ILE 76 CO 0.48 0.00 -0.27 0.44 -3.07 0.00 0.00 178.15 175.73 3ag5 h ASP 77 N 0.00 -0.73 -0.13 2.19 5.19 -2.00 -0.45 116.42 120.49 3ag5 h ASP 77 Ca 0.24 0.06 -0.20 0.00 -0.62 0.00 0.00 57.03 56.51 3ag5 h ASP 77 Cb 0.99 0.25 0.01 0.00 0.18 0.00 0.00 39.33 40.75 3ag5 h ASP 77 CO -0.00 -0.40 -0.69 0.11 -3.12 0.00 0.00 179.24 175.14 3ag5 h LYS 78 N -0.59 0.70 -0.37 3.56 6.56 -1.62 -3.04 116.57 121.78 3ag5 h LYS 78 Ca -0.01 -0.58 0.05 0.00 -1.06 0.00 0.00 60.65 59.05 3ag5 h LYS 78 Cb 0.53 0.12 -0.05 0.00 -0.57 0.00 0.00 32.23 32.27 3ag5 h LYS 78 CO -0.05 1.19 0.09 -0.44 -2.06 0.00 0.00 179.45 178.19 3ag5 h ASP 79 N 0.39 0.06 -0.41 0.86 3.32 -1.01 -0.17 116.42 119.45 3ag5 h ASP 79 Ca -0.05 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3ag5 h ASP 79 Cb 1.33 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.90 3ag5 h ASP 79 CO 0.14 0.07 0.18 0.25 -1.72 0.00 0.00 179.24 178.16 3ag5 h LEU 80 N 0.23 0.24 -0.26 1.55 6.46 -1.12 -0.83 115.31 121.57 3ag5 h LEU 80 Ca 0.17 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 3ag5 h LEU 80 Cb 0.18 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 3ag5 h LEU 80 CO -0.21 0.18 0.10 -0.33 -0.62 0.00 0.00 178.44 177.56 3ag5 h GLU 81 N 0.37 0.40 -0.63 1.25 5.08 -1.31 0.54 114.58 120.29 3ag5 h GLU 81 Ca 0.18 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3ag5 h GLU 81 Cb 0.13 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 3ag5 h GLU 81 CO -0.15 0.44 0.33 -0.07 -1.00 0.00 0.00 179.01 178.55 3ag5 h LEU 82 N 0.27 0.47 -0.26 1.33 3.38 -0.73 -0.99 115.31 118.78 3ag5 h LEU 82 Ca 0.09 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.89 3ag5 h LEU 82 Cb 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3ag5 h LEU 82 CO -0.01 0.30 -0.66 1.62 0.09 0.00 0.00 178.44 179.78 3ag5 h VAL 83 N 0.60 1.28 -0.71 1.22 3.04 -0.95 -3.20 116.25 117.54 3ag5 h VAL 83 Ca 0.29 -1.87 -0.00 0.00 -1.01 0.00 0.00 66.70 64.11 3ag5 h VAL 83 Cb 0.21 1.82 -0.03 0.00 -2.01 0.00 0.00 31.29 31.28 3ag5 h VAL 83 CO -0.20 0.60 0.43 -1.28 -1.01 0.00 0.00 177.57 176.11 3ag5 h SER 84 N 0.58 0.84 0.52 3.17 0.87 0.59 -1.92 113.55 118.20 3ag5 h SER 84 Ca -0.02 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3ag5 h SER 84 Cb 1.28 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 3ag5 h SER 84 CO 0.14 0.64 0.00 -0.08 -0.53 0.00 0.00 176.83 177.00 3ag5 h GLU 85 N 0.97 0.00 -0.07 2.24 4.81 -1.18 -2.73 114.58 118.62 3ag5 h GLU 85 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3ag5 h GLU 85 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3ag5 h GLU 85 CO -0.05 0.00 0.00 0.28 -0.73 0.00 0.00 179.01 178.51 3ag5 n VAL 86 N -2.99 0.07 0.00 0.32 0.31 -0.73 -4.98 118.33 110.32 3ag5 n VAL 86 Ca -0.01 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 3ag5 n VAL 86 Cb 0.19 1.36 0.00 0.00 -0.91 0.00 0.00 33.84 34.48 3ag5 n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ag5 n GLY 87 N 1.16 1.86 3.31 2.92 0.00 -1.03 -4.77 105.19 108.65 3ag5 n GLY 87 Ca 0.13 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.67 3ag5 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag5 n ALA 88 N -0.27 -2.91 -0.05 4.61 0.00 -1.15 -4.85 120.51 115.89 3ag5 n ALA 88 Ca 0.00 0.44 -0.17 0.00 0.00 0.00 0.00 53.44 53.72 3ag5 n ALA 88 Cb 0.00 -1.58 -0.14 0.00 0.00 0.00 0.00 19.45 17.73 3ag5 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ag5 n ASP 89 N 1.89 1.62 -3.92 0.00 8.00 -0.45 -4.60 116.55 119.10 3ag5 n ASP 89 Ca 0.18 0.12 -0.10 0.00 0.71 0.00 0.00 54.79 55.70 3ag5 n ASP 89 Cb 0.23 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 40.84 3ag5 n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ag5 s ILE 90 N -2.55 0.10 -0.24 0.53 1.01 -1.03 -1.61 121.20 117.40 3ag5 s ILE 90 Ca -0.21 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.65 3ag5 s ILE 90 Cb 0.07 -0.38 0.06 0.00 0.01 0.00 0.00 42.46 42.23 3ag5 s ILE 90 CO 0.74 -0.44 -0.07 -0.69 0.00 0.00 0.00 174.94 174.48 3ag5 s VAL 91 N -1.46 1.72 -0.26 2.92 1.01 -0.14 -0.50 120.40 123.69 3ag5 s VAL 91 Ca -0.15 -1.37 -0.23 0.00 0.00 0.00 0.00 61.98 60.23 3ag5 s VAL 91 Cb -0.08 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 3ag5 s VAL 91 CO 0.00 -0.10 0.78 0.12 0.00 0.00 0.00 175.10 175.91 3ag5 s PHE 92 N 1.30 3.28 -0.46 5.22 5.36 0.16 -1.14 117.98 131.69 3ag5 s PHE 92 Ca -0.06 0.99 0.06 0.00 -0.96 0.00 0.00 56.93 56.96 3ag5 s PHE 92 Cb -0.19 -3.05 0.22 0.00 -0.34 0.00 0.00 43.02 39.65 3ag5 s PHE 92 CO -0.06 -0.43 0.49 1.58 -1.46 0.00 0.00 175.22 175.34 3ag5 n HIS 93 N 6.00 0.35 -2.05 10.12 -0.00 0.33 -1.05 115.22 128.93 3ag5 n HIS 93 Ca 0.04 -3.63 -0.32 0.00 -0.00 0.00 0.00 57.72 53.81 3ag5 n HIS 93 Cb 0.48 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.26 3ag5 n HIS 93 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3ag5 s PRO 94 N -1.00 3.56 0.24 1.57 0.04 -1.26 -4.39 135.00 133.77 3ag5 s PRO 94 Ca 0.34 0.95 -0.13 0.00 0.04 0.00 0.00 61.00 62.20 3ag5 s PRO 94 Cb 0.11 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 3ag5 s PRO 94 CO -0.13 -0.60 0.62 0.00 0.04 0.00 0.00 177.00 176.93 3ag5 s ALA 95 N -2.81 3.48 0.31 8.56 0.00 -1.26 -4.91 121.76 125.14 3ag5 s ALA 95 Ca 0.59 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.50 3ag5 s ALA 95 Cb -0.12 -2.58 0.85 0.00 0.00 0.00 0.00 23.12 21.26 3ag5 s ALA 95 CO 0.42 0.43 1.68 0.28 0.00 0.00 0.00 175.76 178.58 3ag5 h VAL 96 N 2.21 0.40 0.00 0.00 2.07 -1.97 0.23 116.25 119.19 3ag5 h VAL 96 Ca -0.48 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 3ag5 h VAL 96 Cb 1.18 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3ag5 h VAL 96 CO 0.67 0.07 -0.24 -0.08 0.02 0.00 0.00 177.57 178.00 3ag5 h GLU 97 N 0.37 0.00 0.23 1.57 4.81 -1.93 0.45 114.58 120.07 3ag5 h GLU 97 Ca 0.62 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.53 3ag5 h GLU 97 Cb 1.26 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.68 3ag5 h GLU 97 CO -0.57 0.24 -1.38 0.22 -0.73 0.00 0.00 179.01 176.79 3ag5 h ASP 98 N 0.00 0.82 0.40 1.04 3.58 -0.96 -2.69 116.42 118.61 3ag5 h ASP 98 Ca -0.00 -0.91 -0.26 0.00 0.42 0.00 0.00 57.03 56.27 3ag5 h ASP 98 Cb 0.52 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.31 3ag5 h ASP 98 CO 0.03 1.67 -1.14 0.24 -2.88 0.00 0.00 179.24 177.16 3ag5 h MET 99 N 0.11 0.41 -2.17 0.28 2.86 -1.05 -3.38 114.93 111.99 3ag5 h MET 99 Ca -0.24 -0.56 -0.58 0.00 -2.06 0.00 0.00 59.70 56.27 3ag5 h MET 99 Cb 2.08 0.19 -0.41 0.00 0.06 0.00 0.00 31.60 33.52 3ag5 h MET 99 CO 0.26 1.22 -0.75 0.66 1.06 0.00 0.00 176.91 179.36 3ag5 n TYR 100 N -3.68 2.78 -0.31 -0.22 4.02 0.15 -4.96 117.16 114.94 3ag5 n TYR 100 Ca -0.09 -3.98 0.15 0.00 -0.01 0.00 0.00 57.90 53.96 3ag5 n TYR 100 Cb 0.95 -0.49 0.29 0.00 -0.02 0.00 0.00 39.34 40.06 3ag5 n TYR 100 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3ag5 n PRO 101 N 0.57 -0.07 0.00 -0.72 -0.02 -1.01 -4.66 135.00 129.09 3ag5 n PRO 101 Ca 0.28 1.36 0.00 0.00 -2.02 0.00 0.00 63.50 63.12 3ag5 n PRO 101 Cb 0.45 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3ag5 n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ag5 n GLY 102 N -1.44 3.50 3.77 -1.23 0.00 -1.26 -5.01 105.19 103.51 3ag5 n GLY 102 Ca 0.22 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 3ag5 n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ag5 s GLU 103 N 1.29 4.26 -0.08 1.61 2.56 -1.26 -4.96 118.70 122.12 3ag5 s GLU 103 Ca 0.00 2.35 -0.30 0.00 0.00 0.00 0.00 54.97 57.02 3ag5 s GLU 103 Cb 0.00 -3.04 -0.03 0.00 2.00 0.00 0.00 34.13 33.06 3ag5 s GLU 103 CO 0.00 -0.33 1.23 -0.51 -0.56 0.00 0.00 175.26 175.08 3ag5 s LEU 104 N -1.73 4.26 0.02 2.70 1.02 -1.26 -4.91 118.68 118.77 3ag5 s LEU 104 Ca 0.51 1.80 0.25 0.00 0.02 0.00 0.00 54.13 56.71 3ag5 s LEU 104 Cb -0.42 -3.55 0.53 0.00 0.02 0.00 0.00 46.19 42.76 3ag5 s LEU 104 CO 0.55 -0.64 1.43 0.61 0.02 0.00 0.00 176.35 178.33 3ag5 n GLY 105 N 3.44 -1.30 3.19 -3.19 0.00 -1.26 -4.82 105.19 101.25 3ag5 n GLY 105 Ca 0.12 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 3ag5 n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ag5 s ILE 106 N -3.03 1.38 0.01 -0.61 -1.09 -1.26 -5.15 121.20 111.45 3ag5 s ILE 106 Ca 0.10 -0.97 0.06 0.00 -2.23 0.00 0.00 60.65 57.61 3ag5 s ILE 106 Cb 0.17 -1.20 -0.02 0.00 -1.58 0.00 0.00 42.46 39.83 3ag5 s ILE 106 CO 0.69 0.20 -0.19 -1.81 -1.23 0.00 0.00 174.94 172.61 3ag5 s ASP 107 N -0.90 2.25 -0.17 3.58 1.11 -1.26 -5.12 116.67 116.16 3ag5 s ASP 107 Ca 0.05 -0.41 0.01 0.00 0.18 0.00 0.00 52.55 52.38 3ag5 s ASP 107 Cb -0.08 -0.22 0.01 0.00 1.07 0.00 0.00 42.92 43.70 3ag5 s ASP 107 CO 0.01 0.19 -0.17 -0.69 1.18 0.00 0.00 175.17 175.68 3ag5 s VAL 108 N -0.60 2.40 0.01 -1.27 1.01 -1.26 -5.11 120.40 115.57 3ag5 s VAL 108 Ca 0.07 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3ag5 s VAL 108 Cb -0.08 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3ag5 s VAL 108 CO 0.00 0.52 -0.18 -0.54 0.00 0.00 0.00 175.10 174.91 3ag5 s LYS 109 N 1.06 1.34 0.02 2.72 1.02 -1.26 -4.73 119.74 119.90 3ag5 s LYS 109 Ca -0.01 -0.73 -0.17 0.00 0.02 0.00 0.00 55.97 55.08 3ag5 s LYS 109 Cb -0.14 -1.35 -0.06 0.00 -0.52 0.00 0.00 37.83 35.76 3ag5 s LYS 109 CO -0.05 0.36 0.47 0.54 -0.92 0.00 0.00 175.35 175.75 3ag5 s VAL 110 N -0.58 4.93 0.00 3.17 0.11 -1.26 -5.04 120.40 121.73 3ag5 s VAL 110 Ca 0.06 0.99 0.00 0.00 -2.93 0.00 0.00 61.98 60.10 3ag5 s VAL 110 Cb -0.07 -3.79 0.00 0.00 -1.53 0.00 0.00 36.38 30.99 3ag5 s VAL 110 CO 0.00 0.55 0.00 0.61 -3.33 0.00 0.00 175.10 172.94 3ag5 n GLY 111 N 1.88 0.85 0.22 6.54 0.00 -1.26 -4.55 105.19 108.88 3ag5 n GLY 111 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 3ag5 n GLY 111 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ag5 n PRO 112 N 0.00 -0.24 -0.06 1.61 -0.02 -1.26 -1.17 135.00 133.87 3ag5 n PRO 112 Ca 0.00 1.07 0.22 0.00 -2.02 0.00 0.00 63.50 62.77 3ag5 n PRO 112 Cb 0.00 -1.58 0.47 0.00 -0.02 0.00 0.00 33.50 32.37 3ag5 n PRO 112 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ag5 h LEU 113 N 0.00 0.00 -0.87 2.45 3.38 -1.92 0.29 115.31 118.64 3ag5 h LEU 113 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ag5 h LEU 113 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3ag5 h LEU 113 CO -0.50 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.03 3ag5 h ALA 114 N 0.71 1.00 0.00 1.53 0.00 -1.38 -3.23 119.26 117.88 3ag5 h ALA 114 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.89 3ag5 h ALA 114 Cb 2.32 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 20.04 3ag5 h ALA 114 CO -0.00 0.00 -2.37 -0.25 0.00 0.00 0.00 179.25 176.63 3ag5 n ASP 115 N -2.89 0.23 -4.27 0.00 8.00 0.10 -4.20 116.55 113.51 3ag5 n ASP 115 Ca 0.02 0.01 -0.36 0.00 0.71 0.00 0.00 54.79 55.16 3ag5 n ASP 115 Cb 0.36 0.82 0.05 0.00 -0.02 0.00 0.00 41.12 42.33 3ag5 n ASP 115 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3ag5 n VAL 116 N -2.81 0.62 0.00 2.53 3.14 -1.18 -1.48 118.33 119.16 3ag5 n VAL 116 Ca -0.33 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 60.62 3ag5 n VAL 116 Cb 1.14 -0.34 0.00 0.00 -1.06 0.00 0.00 33.84 33.58 3ag5 n VAL 116 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3ag5 n LEU 117 N 1.34 0.00 -4.31 6.55 4.77 -1.26 -3.47 117.00 120.62 3ag5 n LEU 117 Ca 0.06 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.58 3ag5 n LEU 117 Cb 0.51 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3ag5 n LEU 117 CO 0.52 0.00 0.27 -1.83 -1.33 0.00 0.00 177.39 175.02 3ag5 s GLU 118 N 0.00 3.24 -0.06 3.23 -1.05 -1.26 -4.93 118.70 117.88 3ag5 s GLU 118 Ca 0.00 -2.10 -0.02 0.00 -0.15 0.00 0.00 54.97 52.70 3ag5 s GLU 118 Cb 0.00 -4.32 -0.01 0.00 -0.44 0.00 0.00 34.13 29.36 3ag5 s GLU 118 CO 0.00 -1.30 -0.03 0.78 0.95 0.00 0.00 175.26 175.66 3ag5 h GLY 119 N 8.28 0.00 0.88 -3.83 0.00 -1.29 -3.38 103.07 103.73 3ag5 h GLY 119 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3ag5 h GLY 119 CO 0.88 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.42 3ag5 n ALA 120 N -2.58 2.26 0.85 3.60 0.00 -1.26 -2.89 120.51 120.49 3ag5 n ALA 120 Ca -0.01 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.42 3ag5 n ALA 120 Cb 0.05 -1.30 0.49 0.00 0.00 0.00 0.00 19.45 18.69 3ag5 n ALA 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ag5 n LYS 121 N -0.94 0.13 -2.43 0.00 5.02 -1.26 -4.16 118.16 114.52 3ag5 n LYS 121 Ca 0.14 0.11 -0.03 0.00 -2.02 0.00 0.00 58.31 56.51 3ag5 n LYS 121 Cb 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3ag5 n LYS 121 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ag5 n ARG 122 N -1.41 0.26 -1.66 1.97 1.74 -1.17 -5.11 116.66 111.28 3ag5 n ARG 122 Ca 0.07 -0.64 -0.45 0.00 -0.77 0.00 0.00 57.85 56.06 3ag5 n ARG 122 Cb 0.21 0.02 -0.02 0.00 -1.02 0.00 0.00 32.46 31.65 3ag5 n ARG 122 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ag5 n PRO 123 N -0.47 1.94 -0.07 5.56 -0.04 -1.14 -0.68 135.00 140.09 3ag5 n PRO 123 Ca -0.20 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 3ag5 n PRO 123 Cb 0.64 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 3ag5 n PRO 123 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ag5 n GLY 124 N 1.90 0.95 0.24 0.55 0.00 -1.26 -4.92 105.19 102.66 3ag5 n GLY 124 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 3ag5 n GLY 124 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3ag5 h HIS 125 N 0.00 0.89 0.00 1.61 6.17 -1.24 -2.96 115.15 119.62 3ag5 h HIS 125 Ca 0.00 -0.27 -0.12 0.00 0.71 0.00 0.00 60.37 60.69 3ag5 h HIS 125 Cb 0.00 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 29.72 3ag5 h HIS 125 CO 0.00 1.02 -0.73 0.74 0.71 0.00 0.00 177.93 179.67 3ag5 h PHE 126 N 0.61 0.00 -0.82 5.26 0.05 -1.91 -3.08 116.94 117.04 3ag5 h PHE 126 Ca 0.05 0.00 0.05 0.00 3.82 0.00 0.00 57.97 61.89 3ag5 h PHE 126 Cb 0.95 0.00 -0.06 0.00 2.00 0.00 0.00 35.95 38.85 3ag5 h PHE 126 CO 0.05 0.54 0.51 -0.44 -0.18 0.00 0.00 178.31 178.78 3ag5 h ASP 127 N 0.00 0.81 0.11 2.17 5.19 -1.82 -0.63 116.42 122.24 3ag5 h ASP 127 Ca -0.04 0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.27 3ag5 h ASP 127 Cb 1.44 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 3ag5 h ASP 127 CO 0.06 0.53 -0.39 1.23 -3.12 0.00 0.00 179.24 177.55 3ag5 h GLY 128 N 0.94 0.41 0.52 2.75 0.00 -1.50 -2.58 103.07 103.61 3ag5 h GLY 128 Ca 0.35 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3ag5 h GLY 128 CO -0.16 0.35 -0.09 -2.08 0.00 0.00 0.00 176.54 174.56 3ag5 h VAL 129 N 0.31 0.90 -0.45 4.60 2.07 -1.13 -2.99 116.25 119.57 3ag5 h VAL 129 Ca 0.03 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3ag5 h VAL 129 Cb 0.82 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3ag5 h VAL 129 CO 0.07 0.19 0.25 -0.37 0.02 0.00 0.00 177.57 177.73 3ag5 h VAL 130 N -0.73 1.14 -0.00 2.57 -1.51 -1.22 -0.24 116.25 116.25 3ag5 h VAL 130 Ca -0.03 -0.33 0.01 0.00 -1.23 0.00 0.00 66.70 65.13 3ag5 h VAL 130 Cb 0.50 0.52 -0.02 0.00 -2.13 0.00 0.00 31.29 30.17 3ag5 h VAL 130 CO 0.04 0.15 -0.08 0.74 -1.23 0.00 0.00 177.57 177.19 3ag5 h THR 131 N 0.62 0.80 -0.18 7.19 2.02 -1.49 0.28 112.91 122.15 3ag5 h THR 131 Ca 0.16 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.24 3ag5 h THR 131 Cb 0.00 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3ag5 h THR 131 CO -0.03 0.00 -0.29 -0.37 0.37 0.00 0.00 175.52 175.20 3ag5 h VAL 132 N -0.13 1.34 -0.78 3.16 -1.51 -1.30 -2.26 116.25 114.77 3ag5 h VAL 132 Ca 0.03 -1.52 0.05 0.00 -1.23 0.00 0.00 66.70 64.04 3ag5 h VAL 132 Cb 0.17 1.89 -0.06 0.00 -2.13 0.00 0.00 31.29 31.17 3ag5 h VAL 132 CO -0.08 0.46 0.47 0.58 -1.23 0.00 0.00 177.57 177.77 3ag5 h VAL 133 N 0.16 1.04 -0.47 7.19 2.07 -0.96 0.43 116.25 125.72 3ag5 h VAL 133 Ca 0.01 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3ag5 h VAL 133 Cb 0.88 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3ag5 h VAL 133 CO 0.07 0.16 0.31 -1.13 0.02 0.00 0.00 177.57 177.00 3ag5 h ASN 134 N 0.88 0.53 -0.46 0.57 -1.24 -0.39 -0.01 115.58 115.46 3ag5 h ASN 134 Ca 0.33 -0.01 -0.08 0.00 0.71 0.00 0.00 56.30 57.25 3ag5 h ASN 134 Cb 0.13 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 3ag5 h ASN 134 CO -0.16 0.39 -0.03 0.11 -1.29 0.00 0.00 177.43 176.45 3ag5 h LYS 135 N 0.63 0.84 -0.74 6.67 1.57 -0.68 -2.61 116.57 122.25 3ag5 h LYS 135 Ca 0.17 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3ag5 h LYS 135 Cb -0.07 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3ag5 h LYS 135 CO -0.04 0.90 0.39 -0.07 -0.57 0.00 0.00 179.45 180.07 3ag5 h LEU 136 N 0.69 0.92 -1.35 2.94 3.38 0.20 0.10 115.31 122.19 3ag5 h LEU 136 Ca 0.13 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3ag5 h LEU 136 Cb 0.54 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3ag5 h LEU 136 CO 0.03 0.75 -0.33 -0.26 0.09 0.00 0.00 178.44 178.72 3ag5 h PHE 137 N 1.03 0.00 0.00 1.13 0.05 -0.79 0.84 116.94 119.20 3ag5 h PHE 137 Ca 0.26 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.05 3ag5 h PHE 137 Cb 0.04 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.99 3ag5 h PHE 137 CO 0.01 0.33 -0.53 -0.91 -0.18 0.00 0.00 178.31 177.03 3ag5 h ASN 138 N 0.00 0.00 0.03 2.17 2.35 -0.93 -1.49 115.58 117.70 3ag5 h ASN 138 Ca -0.00 -0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 55.50 3ag5 h ASN 138 Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3ag5 h ASN 138 CO 0.04 0.02 -1.10 0.40 -1.65 0.00 0.00 177.43 175.14 3ag5 h ILE 139 N 0.00 1.08 0.00 2.81 2.04 -0.57 -3.39 117.51 119.48 3ag5 h ILE 139 Ca 0.00 -2.26 -0.22 0.00 1.00 0.00 0.00 64.86 63.39 3ag5 h ILE 139 Cb 0.92 2.53 -0.04 0.00 -0.74 0.00 0.00 36.82 39.50 3ag5 h ILE 139 CO 0.00 0.46 -1.25 0.58 0.00 0.00 0.00 178.15 177.94 3ag5 h VAL 140 N -0.82 1.10 -6.10 1.67 2.07 -0.99 -3.38 116.25 109.81 3ag5 h VAL 140 Ca -0.28 -2.79 -0.40 0.00 0.82 0.00 0.00 66.70 64.05 3ag5 h VAL 140 Cb 1.37 2.51 0.10 0.00 -1.52 0.00 0.00 31.29 33.75 3ag5 h VAL 140 CO -0.11 0.63 -0.91 0.23 0.02 0.00 0.00 177.57 177.42 3ag5 n MET 141 N -3.15 -1.88 -1.96 1.57 2.81 -0.56 -4.93 117.12 109.02 3ag5 n MET 141 Ca -0.07 0.54 -0.29 0.00 -1.81 0.00 0.00 57.70 56.07 3ag5 n MET 141 Cb 0.94 -4.53 0.07 0.00 -0.71 0.00 0.00 33.22 28.98 3ag5 n MET 141 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3ag5 s PRO 142 N -5.75 2.41 -0.21 0.03 0.04 -1.26 -4.84 135.00 125.42 3ag5 s PRO 142 Ca 0.40 0.20 -0.02 0.00 0.04 0.00 0.00 61.00 61.63 3ag5 s PRO 142 Cb -0.13 -2.02 -0.20 0.00 0.04 0.00 0.00 34.50 32.19 3ag5 s PRO 142 CO 0.84 -1.27 -0.02 -0.25 0.04 0.00 0.00 177.00 176.34 3ag5 n ASP 143 N -3.10 2.03 -4.21 6.66 9.92 0.77 -4.60 116.55 124.01 3ag5 n ASP 143 Ca 0.07 -0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.07 3ag5 n ASP 143 Cb 0.59 -0.58 -0.15 0.00 -0.64 0.00 0.00 41.12 40.34 3ag5 n ASP 143 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3ag5 s TYR 144 N -2.53 1.76 -0.05 1.24 1.51 -0.81 0.06 117.35 118.53 3ag5 s TYR 144 Ca -0.31 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.44 3ag5 s TYR 144 Cb 0.08 -1.11 0.01 0.00 -0.11 0.00 0.00 41.96 40.83 3ag5 s TYR 144 CO 0.66 0.00 -0.12 0.00 -1.11 0.00 0.00 175.55 174.98 3ag5 s ALA 145 N -0.55 1.21 -0.22 3.71 0.00 -0.18 -0.36 121.76 125.37 3ag5 s ALA 145 Ca 0.07 -0.43 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 3ag5 s ALA 145 Cb -0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 3ag5 s ALA 145 CO -0.00 0.14 0.01 0.71 0.00 0.00 0.00 175.76 176.62 3ag5 s TYR 146 N 0.49 3.04 0.05 0.00 2.02 -0.15 -0.51 117.35 122.29 3ag5 s TYR 146 Ca -0.11 -0.52 0.08 0.00 -0.37 0.00 0.00 57.07 56.15 3ag5 s TYR 146 Cb -0.14 -2.13 -0.03 0.00 -0.40 0.00 0.00 41.96 39.26 3ag5 s TYR 146 CO 0.03 -0.32 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.41 3ag5 s PHE 147 N 1.24 1.95 0.34 2.71 0.40 0.12 -4.48 117.98 120.26 3ag5 s PHE 147 Ca 0.04 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.69 3ag5 s PHE 147 Cb -0.15 -1.15 -0.10 0.00 0.51 0.00 0.00 43.02 42.13 3ag5 s PHE 147 CO 0.01 0.11 1.37 0.20 0.70 0.00 0.00 175.22 177.61 3ag5 s GLY 148 N -1.25 2.92 0.08 4.36 0.00 -1.26 -0.48 107.32 111.69 3ag5 s GLY 148 Ca 0.09 1.35 0.27 0.00 0.00 0.00 0.00 44.72 46.43 3ag5 s GLY 148 CO 0.02 2.04 1.73 0.28 0.00 0.00 0.00 173.10 177.17 3ag5 n LYS 149 N 0.85 0.12 0.10 2.90 5.02 0.70 -3.94 118.16 123.90 3ag5 n LYS 149 Ca 0.01 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.25 3ag5 n LYS 149 Cb 0.41 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 3ag5 n LYS 149 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3ag5 h LYS 150 N 0.00 -0.29 -5.03 1.97 3.64 -1.91 -3.07 116.57 111.88 3ag5 h LYS 150 Ca 0.00 0.02 -0.72 0.00 -1.27 0.00 0.00 60.65 58.68 3ag5 h LYS 150 Cb 0.60 0.07 -0.15 0.00 -0.41 0.00 0.00 32.23 32.35 3ag5 h LYS 150 CO 0.00 -0.19 1.66 -3.47 -2.27 0.00 0.00 179.45 175.17 3ag5 n ASP 151 N -5.28 5.12 0.13 4.20 -0.08 -1.25 -4.76 116.55 114.63 3ag5 n ASP 151 Ca -0.07 -2.96 0.05 0.00 -1.51 0.00 0.00 54.79 50.30 3ag5 n ASP 151 Cb 0.20 -1.62 0.49 0.00 2.34 0.00 0.00 41.12 42.53 3ag5 n ASP 151 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ag5 h ALA 152 N 7.20 1.75 -0.68 -1.67 0.00 -1.80 -1.83 119.26 122.23 3ag5 h ALA 152 Ca 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3ag5 h ALA 152 Cb 0.86 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3ag5 h ALA 152 CO 1.33 0.20 0.32 0.37 0.00 0.00 0.00 179.25 181.47 3ag5 h GLN 153 N 0.26 0.96 -0.20 0.00 4.15 -1.91 -1.11 115.11 117.27 3ag5 h GLN 153 Ca 0.07 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 59.25 3ag5 h GLN 153 Cb 0.09 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 3ag5 h GLN 153 CO -0.00 0.75 -0.28 0.37 -1.93 0.00 0.00 178.83 177.73 3ag5 h GLN 154 N 0.96 0.54 -0.76 1.69 4.15 -1.75 -2.11 115.11 117.82 3ag5 h GLN 154 Ca 0.24 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.34 3ag5 h GLN 154 Cb 0.10 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 3ag5 h GLN 154 CO -0.03 0.92 0.50 1.25 -1.93 0.00 0.00 178.83 179.53 3ag5 h LEU 155 N 0.21 0.89 -0.40 -2.39 5.85 -0.99 0.15 115.31 118.62 3ag5 h LEU 155 Ca 0.02 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3ag5 h LEU 155 Cb 0.86 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3ag5 h LEU 155 CO 0.07 0.66 -0.06 0.00 -0.34 0.00 0.00 178.44 178.76 3ag5 h ALA 156 N 1.27 0.55 -0.26 1.25 0.00 -1.23 0.11 119.26 120.96 3ag5 h ALA 156 Ca 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ag5 h ALA 156 Cb -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3ag5 h ALA 156 CO -0.06 0.39 0.14 0.82 0.00 0.00 0.00 179.25 180.54 3ag5 h ILE 157 N 0.57 1.12 -0.41 0.00 2.04 -0.93 0.19 117.51 120.10 3ag5 h ILE 157 Ca 0.11 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.66 3ag5 h ILE 157 Cb 0.57 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3ag5 h ILE 157 CO 0.03 0.12 0.26 0.58 0.00 0.00 0.00 178.15 179.15 3ag5 h VAL 158 N 0.30 1.10 -0.36 1.67 2.07 -0.55 -0.54 116.25 119.93 3ag5 h VAL 158 Ca 0.09 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3ag5 h VAL 158 Cb 0.06 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3ag5 h VAL 158 CO -0.01 0.10 0.07 -0.33 0.02 0.00 0.00 177.57 177.41 3ag5 h GLU 159 N 0.54 0.53 -0.68 1.57 5.08 -0.50 -0.97 114.58 120.16 3ag5 h GLU 159 Ca 0.15 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 3ag5 h GLU 159 Cb -0.05 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3ag5 h GLU 159 CO -0.04 0.51 0.12 0.37 -1.00 0.00 0.00 179.01 178.97 3ag5 h GLN 160 N 0.52 1.12 -0.27 2.33 5.75 0.15 -2.34 115.11 122.37 3ag5 h GLN 160 Ca 0.12 -0.29 -0.15 0.00 -0.15 0.00 0.00 58.65 58.18 3ag5 h GLN 160 Cb 0.23 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 3ag5 h GLN 160 CO -0.00 1.01 -0.43 1.98 -2.65 0.00 0.00 178.83 178.74 3ag5 h MET 161 N 1.05 0.68 -0.28 1.69 4.05 -0.12 -0.60 114.93 121.40 3ag5 h MET 161 Ca 0.21 -0.37 -0.03 0.00 -0.28 0.00 0.00 59.70 59.23 3ag5 h MET 161 Cb 0.43 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 3ag5 h MET 161 CO 0.01 0.98 0.03 0.28 0.23 0.00 0.00 176.91 178.44 3ag5 h VAL 162 N 0.55 1.15 0.04 -5.77 2.07 -1.03 -0.62 116.25 112.64 3ag5 h VAL 162 Ca 0.04 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3ag5 h VAL 162 Cb 0.97 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3ag5 h VAL 162 CO 0.09 0.20 -0.02 0.50 0.02 0.00 0.00 177.57 178.36 3ag5 h LYS 163 N 0.40 -0.05 -0.47 1.57 3.64 -1.16 -0.82 116.57 119.67 3ag5 h LYS 163 Ca 0.09 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3ag5 h LYS 163 Cb 0.22 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3ag5 h LYS 163 CO 0.00 0.61 0.17 -0.44 -2.27 0.00 0.00 179.45 177.52 3ag5 h ASP 164 N -0.85 0.62 0.21 4.20 3.32 -1.00 -2.68 116.42 120.24 3ag5 h ASP 164 Ca -0.01 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3ag5 h ASP 164 Cb 0.68 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3ag5 h ASP 164 CO 0.01 0.58 -0.38 0.49 -1.72 0.00 0.00 179.24 178.21 3ag5 n PHE 165 N -4.34 0.00 -3.26 4.55 0.99 -0.25 -4.97 117.46 110.18 3ag5 n PHE 165 Ca 0.04 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.31 3ag5 n PHE 165 Cb 0.17 -0.11 0.06 0.00 -1.00 0.00 0.00 39.48 38.59 3ag5 n PHE 165 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3ag5 n ASN 166 N -0.70 -5.28 -4.72 4.37 3.02 -0.82 -4.96 115.26 106.17 3ag5 n ASN 166 Ca 0.10 -0.38 -0.42 0.00 -0.03 0.00 0.00 54.58 53.85 3ag5 n ASN 166 Cb 0.37 -3.91 -0.03 0.00 -0.61 0.00 0.00 39.78 35.60 3ag5 n ASN 166 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3ag5 s HIS 167 N -3.21 3.31 -1.43 3.10 3.76 -0.38 -4.91 115.29 115.54 3ag5 s HIS 167 Ca 0.41 1.10 -0.10 0.00 -0.15 0.00 0.00 55.06 56.32 3ag5 s HIS 167 Cb -0.18 -3.59 0.06 0.00 1.11 0.00 0.00 32.58 29.98 3ag5 s HIS 167 CO 0.51 -1.97 2.36 0.00 -0.85 0.00 0.00 174.74 174.80 3ag5 n ALA 168 N 3.79 6.30 -3.11 -1.40 0.00 -1.26 -4.84 120.51 119.98 3ag5 n ALA 168 Ca 0.10 -3.95 -0.19 0.00 0.00 0.00 0.00 53.44 49.41 3ag5 n ALA 168 Cb 0.44 -3.19 -0.15 0.00 0.00 0.00 0.00 19.45 16.54 3ag5 n ALA 168 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ag5 s VAL 169 N 1.27 0.58 -0.23 0.00 1.01 -1.26 -4.73 120.40 117.04 3ag5 s VAL 169 Ca 0.52 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 3ag5 s VAL 169 Cb 0.15 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 3ag5 s VAL 169 CO -0.06 0.19 0.51 -0.70 0.00 0.00 0.00 175.10 175.04 3ag5 s GLU 170 N 0.29 4.13 -0.41 2.72 2.56 0.11 -4.96 118.70 123.14 3ag5 s GLU 170 Ca -0.04 0.35 -0.21 0.00 0.00 0.00 0.00 54.97 55.08 3ag5 s GLU 170 Cb -0.08 -3.61 0.02 0.00 2.00 0.00 0.00 34.13 32.46 3ag5 s GLU 170 CO 0.00 -0.25 0.65 0.42 -0.56 0.00 0.00 175.26 175.52 3ag5 s ILE 171 N 1.96 4.84 -0.22 -3.70 -1.09 -1.26 -1.01 121.20 120.72 3ag5 s ILE 171 Ca 0.22 0.31 -0.07 0.00 -2.23 0.00 0.00 60.65 58.88 3ag5 s ILE 171 Cb -0.15 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 3ag5 s ILE 171 CO 0.09 -0.50 0.07 -0.63 -1.23 0.00 0.00 174.94 172.75 3ag5 s ILE 172 N 2.81 4.56 -0.24 2.92 -1.09 0.33 -4.97 121.20 125.51 3ag5 s ILE 172 Ca 0.24 -0.10 -0.10 0.00 -2.23 0.00 0.00 60.65 58.46 3ag5 s ILE 172 Cb -0.14 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 3ag5 s ILE 172 CO 0.18 0.39 0.13 -0.83 -1.23 0.00 0.00 174.94 173.58 3ag5 s GLY 173 N 1.04 1.91 -0.02 6.18 0.00 -1.26 -0.70 107.32 114.47 3ag5 s GLY 173 Ca 0.04 -0.97 -0.14 0.00 0.00 0.00 0.00 44.72 43.65 3ag5 s GLY 173 CO 0.03 0.44 0.37 -0.42 0.00 0.00 0.00 173.10 173.53 3ag5 s ILE 174 N 1.26 5.10 0.39 0.90 1.09 0.37 -4.76 121.20 125.54 3ag5 s ILE 174 Ca 0.06 0.76 -0.26 0.00 -1.10 0.00 0.00 60.65 60.12 3ag5 s ILE 174 Cb -0.14 -3.67 -0.09 0.00 -1.06 0.00 0.00 42.46 37.50 3ag5 s ILE 174 CO 0.06 0.57 1.15 -1.81 -0.10 0.00 0.00 174.94 174.81 3ag5 s ASP 175 N -1.00 6.63 0.26 3.58 1.01 -1.26 -0.22 116.67 125.67 3ag5 s ASP 175 Ca 0.23 2.32 -0.30 0.00 0.71 0.00 0.00 52.55 55.50 3ag5 s ASP 175 Cb -0.16 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.05 3ag5 s ASP 175 CO 0.12 -0.60 1.59 0.27 0.21 0.00 0.00 175.17 176.76 3ag5 s ILE 176 N -1.41 2.21 0.28 0.77 -4.36 -1.26 -4.89 121.20 112.54 3ag5 s ILE 176 Ca 0.56 0.17 -0.30 0.00 -0.26 0.00 0.00 60.65 60.82 3ag5 s ILE 176 Cb -0.30 -3.11 -0.10 0.00 1.25 0.00 0.00 42.46 40.20 3ag5 s ILE 176 CO 0.38 0.02 1.43 0.68 0.24 0.00 0.00 174.94 177.69 3ag5 s VAL 177 N 0.30 2.57 0.45 8.37 -7.23 -1.26 -4.98 120.40 118.62 3ag5 s VAL 177 Ca 0.65 0.50 0.06 0.00 -1.81 0.00 0.00 61.98 61.38 3ag5 s VAL 177 Cb -0.47 -3.32 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 3ag5 s VAL 177 CO 0.43 0.09 0.13 -0.13 -0.31 0.00 0.00 175.10 175.31 3ag5 s ARG 178 N -0.87 2.16 0.31 4.82 0.52 -1.26 -3.11 118.95 121.53 3ag5 s ARG 178 Ca 0.57 -2.06 -0.09 0.00 -0.52 0.00 0.00 55.73 53.63 3ag5 s ARG 178 Cb -0.42 -1.82 -0.06 0.00 0.52 0.00 0.00 34.95 33.17 3ag5 s ARG 178 CO 0.48 -0.23 0.64 -2.00 0.02 0.00 0.00 175.30 174.20 3ag5 s GLU 179 N -3.91 3.75 0.29 3.54 2.56 0.48 -4.81 118.70 120.60 3ag5 s GLU 179 Ca 0.30 0.27 0.16 0.00 0.00 0.00 0.00 54.97 55.71 3ag5 s GLU 179 Cb 0.04 -2.55 1.04 0.00 2.00 0.00 0.00 34.13 34.66 3ag5 s GLU 179 CO 0.17 0.15 1.22 0.00 -0.56 0.00 0.00 175.26 176.24 3ag5 n ALA 180 N -0.82 0.80 1.28 6.30 0.00 -1.26 0.18 120.51 126.99 3ag5 n ALA 180 Ca 0.01 0.78 0.12 0.00 0.00 0.00 0.00 53.44 54.35 3ag5 n ALA 180 Cb 0.53 -0.79 0.42 0.00 0.00 0.00 0.00 19.45 19.62 3ag5 n ALA 180 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ag5 n ASP 181 N -4.72 1.71 0.00 0.00 5.68 -1.26 -4.92 116.55 113.03 3ag5 n ASP 181 Ca 0.29 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.93 3ag5 n ASP 181 Cb 1.00 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.91 3ag5 n ASP 181 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ag5 n GLY 182 N 1.17 0.66 3.76 6.12 0.00 0.48 -5.01 105.19 112.36 3ag5 n GLY 182 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3ag5 n GLY 182 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ag5 s LEU 183 N 0.00 4.41 0.01 0.99 2.96 -1.23 -4.53 118.68 121.29 3ag5 s LEU 183 Ca 0.00 2.62 -0.30 0.00 -0.22 0.00 0.00 54.13 56.22 3ag5 s LEU 183 Cb 0.00 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 3ag5 s LEU 183 CO 0.00 -0.58 1.37 0.00 -1.32 0.00 0.00 176.35 175.82 3ag5 s ALA 184 N -0.54 3.56 0.27 5.97 0.00 -1.26 0.18 121.76 129.95 3ag5 s ALA 184 Ca 0.54 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 3ag5 s ALA 184 Cb -0.40 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.04 3ag5 s ALA 184 CO 0.47 -0.84 1.62 0.15 0.00 0.00 0.00 175.76 177.16 3ag5 s LYS 185 N 2.18 4.13 -0.12 0.00 1.02 -1.18 -4.86 119.74 120.90 3ag5 s LYS 185 Ca 0.63 2.58 -0.22 0.00 0.02 0.00 0.00 55.97 58.97 3ag5 s LYS 185 Cb -0.31 -3.04 0.05 0.00 -0.52 0.00 0.00 37.83 34.01 3ag5 s LYS 185 CO 0.27 -0.66 0.54 0.45 -0.92 0.00 0.00 175.35 175.03 3ag5 s SER 186 N 0.68 -0.52 0.51 2.83 0.15 -1.26 -5.03 113.70 111.06 3ag5 s SER 186 Ca 0.66 0.77 0.25 0.00 0.70 0.00 0.00 55.95 58.33 3ag5 s SER 186 Cb -0.48 0.77 1.35 0.00 -1.71 0.00 0.00 66.02 65.95 3ag5 s SER 186 CO 0.43 -0.38 2.05 0.77 1.20 0.00 0.00 173.24 177.32 3ag5 h SER 187 N 4.24 0.00 0.10 5.45 4.64 -2.04 -2.46 113.55 123.49 3ag5 h SER 187 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3ag5 h SER 187 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3ag5 h SER 187 CO 0.28 0.14 -0.05 -2.11 -0.87 0.00 0.00 176.83 174.22 3ag5 n ARG 188 N -3.78 1.18 -0.02 4.77 1.85 -1.26 -3.95 116.66 115.45 3ag5 n ARG 188 Ca -0.02 -0.48 -0.01 0.00 -1.00 0.00 0.00 57.85 56.34 3ag5 n ARG 188 Cb 0.24 -1.49 0.28 0.00 -1.05 0.00 0.00 32.46 30.44 3ag5 n ARG 188 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 3ag5 h ASN 189 N 1.18 0.54 0.00 2.89 2.35 -1.82 -2.76 115.58 117.96 3ag5 h ASN 189 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3ag5 h ASN 189 Cb 0.33 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3ag5 h ASN 189 CO 0.00 0.59 0.15 1.62 -1.65 0.00 0.00 177.43 178.15 3ag5 h VAL 190 N 0.56 0.00 -0.78 2.81 3.04 -1.79 -1.53 116.25 118.57 3ag5 h VAL 190 Ca 0.12 0.00 -0.35 0.00 -1.01 0.00 0.00 66.70 65.46 3ag5 h VAL 190 Cb 0.31 0.51 -0.21 0.00 -2.01 0.00 0.00 31.29 29.89 3ag5 h VAL 190 CO 0.01 0.00 0.44 -1.22 -1.01 0.00 0.00 177.57 175.79 3ag5 n TYR 191 N -2.38 2.45 -4.13 3.17 4.02 -1.04 -4.89 117.16 114.37 3ag5 n TYR 191 Ca -0.02 -1.43 -0.34 0.00 -0.01 0.00 0.00 57.90 56.10 3ag5 n TYR 191 Cb 0.19 -0.77 -0.11 0.00 -0.02 0.00 0.00 39.34 38.63 3ag5 n TYR 191 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3ag5 s LEU 192 N -2.72 3.53 0.58 7.72 1.43 -0.58 -4.32 118.68 124.32 3ag5 s LEU 192 Ca 0.48 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.36 3ag5 s LEU 192 Cb 0.40 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 3ag5 s LEU 192 CO 0.10 0.14 1.09 0.42 0.23 0.00 0.00 176.35 178.33 3ag5 s THR 193 N 0.54 3.50 0.28 5.49 -4.23 -1.26 -4.67 115.64 115.29 3ag5 s THR 193 Ca 0.01 0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 61.28 3ag5 s THR 193 Cb -0.13 -3.30 0.37 0.00 1.34 0.00 0.00 72.50 70.78 3ag5 s THR 193 CO 0.02 -0.33 1.59 -0.33 -0.54 0.00 0.00 174.62 175.03 3ag5 h GLU 194 N 0.72 0.04 -0.35 3.99 5.08 -1.99 0.21 114.58 122.27 3ag5 h GLU 194 Ca -0.48 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 3ag5 h GLU 194 Cb 1.24 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 3ag5 h GLU 194 CO 0.57 0.03 0.16 0.37 -1.00 0.00 0.00 179.01 179.13 3ag5 h GLN 195 N 0.04 0.52 -0.79 2.33 4.15 -2.01 -2.69 115.11 116.66 3ag5 h GLN 195 Ca 0.51 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.85 3ag5 h GLN 195 Cb 0.95 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.52 3ag5 h GLN 195 CO -0.85 0.48 0.51 0.93 -1.93 0.00 0.00 178.83 177.97 3ag5 h GLU 196 N 0.43 1.04 0.04 1.69 5.08 -1.05 -1.05 114.58 120.75 3ag5 h GLU 196 Ca 0.12 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3ag5 h GLU 196 Cb 0.14 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 3ag5 h GLU 196 CO -0.01 0.70 -0.50 -0.09 -1.00 0.00 0.00 179.01 178.11 3ag5 h ARG 197 N 1.07 -0.65 -0.03 2.33 1.12 -0.55 -0.50 114.38 117.18 3ag5 h ARG 197 Ca 0.29 0.04 -0.13 0.00 -1.11 0.00 0.00 59.98 59.08 3ag5 h ARG 197 Cb -0.11 0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 29.98 3ag5 h ARG 197 CO -0.06 -0.43 -0.56 1.96 -3.11 0.00 0.00 179.97 177.76 3ag5 h GLN 198 N -0.67 0.08 0.00 0.20 7.50 -1.50 -2.26 115.11 118.47 3ag5 h GLN 198 Ca 0.02 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.12 3ag5 h GLN 198 Cb 0.72 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.25 3ag5 h GLN 198 CO -0.32 0.62 0.00 -1.91 -1.50 0.00 0.00 178.83 175.72 3ag5 n GLU 199 N -3.88 0.48 -0.00 1.46 2.13 -0.41 -2.12 120.64 118.29 3ag5 n GLU 199 Ca -0.02 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.83 3ag5 n GLU 199 Cb 0.58 -1.39 -0.04 0.00 0.27 0.00 0.00 31.44 30.85 3ag5 n GLU 199 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ag5 n ALA 200 N -0.89 2.51 0.56 4.31 0.00 -0.27 -4.46 120.51 122.27 3ag5 n ALA 200 Ca 0.09 -0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.43 3ag5 n ALA 200 Cb 0.04 -0.21 0.28 0.00 0.00 0.00 0.00 19.45 19.56 3ag5 n ALA 200 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ag5 n VAL 201 N -1.39 0.34 0.22 0.00 0.31 -0.90 -1.81 118.33 115.10 3ag5 n VAL 201 Ca 0.00 0.08 0.12 0.00 -0.01 0.00 0.00 64.34 64.53 3ag5 n VAL 201 Cb 0.12 -0.92 0.22 0.00 -0.91 0.00 0.00 33.84 32.35 3ag5 n VAL 201 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3ag5 h HIS 202 N 0.00 0.00 -0.23 3.52 -0.00 -1.78 -3.09 115.15 113.57 3ag5 h HIS 202 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 3ag5 h HIS 202 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.45 3ag5 h HIS 202 CO 0.00 0.05 -0.25 -0.07 -0.00 0.00 0.00 177.93 177.66 3ag5 h LEU 203 N 0.00 0.62 -0.81 2.43 4.07 -1.69 0.97 115.31 120.90 3ag5 h LEU 203 Ca -0.00 -0.49 0.00 0.00 0.08 0.00 0.00 57.88 57.47 3ag5 h LEU 203 Cb 0.97 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.54 3ag5 h LEU 203 CO 0.01 0.98 0.00 -1.20 -1.08 0.00 0.00 178.44 177.14 3ag5 n SER 204 N -4.36 0.39 -0.03 -0.43 7.64 -1.18 -2.68 113.62 112.98 3ag5 n SER 204 Ca -0.05 0.66 -0.02 0.00 1.01 0.00 0.00 58.87 60.46 3ag5 n SER 204 Cb 0.44 -0.72 -0.04 0.00 -1.01 0.00 0.00 64.21 62.88 3ag5 n SER 204 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ag5 n LYS 205 N -1.99 2.93 0.00 1.43 5.02 -0.88 -3.94 118.16 120.73 3ag5 n LYS 205 Ca -0.00 -0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 3ag5 n LYS 205 Cb 0.07 -1.14 0.50 0.00 -0.02 0.00 0.00 35.03 34.44 3ag5 n LYS 205 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3ag5 n SER 206 N -2.17 0.00 -0.06 4.39 3.41 0.33 -2.12 113.62 117.41 3ag5 n SER 206 Ca -0.08 -0.56 -0.10 0.00 -0.26 0.00 0.00 58.87 57.87 3ag5 n SER 206 Cb 0.64 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 3ag5 n SER 206 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3ag5 n LEU 207 N -0.99 1.60 0.00 1.04 7.94 -1.15 -4.04 117.00 121.40 3ag5 n LEU 207 Ca 0.13 0.26 0.04 0.00 -1.11 0.00 0.00 56.01 55.33 3ag5 n LEU 207 Cb 0.06 -0.60 0.19 0.00 0.53 0.00 0.00 43.42 43.60 3ag5 n LEU 207 CO 0.09 -0.22 0.61 0.00 -1.11 0.00 0.00 177.39 176.76 3ag5 n LEU 208 N -4.08 0.00 -0.24 -1.96 -0.00 -1.19 -0.48 117.00 109.05 3ag5 n LEU 208 Ca -0.16 0.42 0.08 0.00 -0.00 0.00 0.00 56.01 56.35 3ag5 n LEU 208 Cb 0.46 -0.42 -0.04 0.00 -0.00 0.00 0.00 43.42 43.42 3ag5 n LEU 208 CO 0.11 -0.30 0.15 -0.11 -0.00 0.00 0.00 177.39 177.25 3ag5 n LEU 209 N -1.42 1.35 0.05 1.47 7.94 -0.90 -4.11 117.00 121.38 3ag5 n LEU 209 Ca 0.03 -0.67 0.11 0.00 -1.11 0.00 0.00 56.01 54.38 3ag5 n LEU 209 Cb 0.08 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.08 3ag5 n LEU 209 CO 0.07 0.27 0.05 0.00 -1.11 0.00 0.00 177.39 176.68 3ag5 n ALA 210 N -0.58 3.11 0.62 1.96 0.00 0.37 -3.51 120.51 122.49 3ag5 n ALA 210 Ca 0.06 -0.34 0.12 0.00 0.00 0.00 0.00 53.44 53.27 3ag5 n ALA 210 Cb 0.32 -1.03 0.18 0.00 0.00 0.00 0.00 19.45 18.92 3ag5 n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ag5 n GLN 211 N -2.13 0.26 -0.08 0.00 10.64 -1.05 -3.40 117.38 121.62 3ag5 n GLN 211 Ca 0.02 0.07 -0.09 0.00 -1.83 0.00 0.00 57.00 55.17 3ag5 n GLN 211 Cb 0.46 -1.66 0.06 0.00 -0.86 0.00 0.00 30.24 28.24 3ag5 n GLN 211 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3ag5 h ALA 212 N 2.57 0.79 0.94 2.61 0.00 -1.71 0.14 119.26 124.60 3ag5 h ALA 212 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3ag5 h ALA 212 Cb 0.72 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3ag5 h ALA 212 CO 0.00 0.65 -0.45 -0.07 0.00 0.00 0.00 179.25 179.37 3ag5 h LEU 213 N 0.67 -1.07 -0.17 0.00 3.38 -1.70 -2.69 115.31 113.73 3ag5 h LEU 213 Ca 0.08 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3ag5 h LEU 213 Cb 0.83 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 3ag5 h LEU 213 CO 0.07 -0.76 -0.37 0.22 0.09 0.00 0.00 178.44 177.68 3ag5 h TYR 214 N -1.28 -1.06 -0.92 1.13 3.20 -1.62 -2.32 116.97 114.12 3ag5 h TYR 214 Ca -0.13 0.05 0.28 0.00 3.14 0.00 0.00 58.73 62.06 3ag5 h TYR 214 Cb 0.97 0.49 -0.17 0.00 1.54 0.00 0.00 36.73 39.56 3ag5 h TYR 214 CO -0.01 -0.44 0.11 1.04 -1.64 0.00 0.00 178.16 177.23 3ag5 n GLN 215 N -5.42 -0.07 -2.77 1.82 1.13 0.48 -2.20 117.38 110.34 3ag5 n GLN 215 Ca -0.03 1.35 -0.27 0.00 -1.94 0.00 0.00 57.00 56.11 3ag5 n GLN 215 Cb 0.35 -2.20 -0.03 0.00 0.11 0.00 0.00 30.24 28.47 3ag5 n GLN 215 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3ag5 n ASP 216 N -5.30 4.59 0.00 1.08 5.68 -0.91 -5.00 116.55 116.68 3ag5 n ASP 216 Ca 0.24 -3.70 0.00 0.00 -0.50 0.00 0.00 54.79 50.83 3ag5 n ASP 216 Cb 0.79 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3ag5 n ASP 216 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ag5 n GLY 217 N -0.33 2.18 1.69 6.12 0.00 -0.94 -5.00 105.19 108.91 3ag5 n GLY 217 Ca 0.34 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 3ag5 n GLY 217 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ag5 n GLU 218 N 0.00 0.00 -2.49 1.61 4.07 -0.95 -4.85 120.64 118.03 3ag5 n GLU 218 Ca 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.09 3ag5 n GLU 218 Cb 0.00 -0.68 0.07 0.00 -0.06 0.00 0.00 31.44 30.77 3ag5 n GLU 218 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3ag5 n ARG 219 N 1.90 1.28 -4.75 5.31 1.74 -1.26 -3.74 116.66 117.14 3ag5 n ARG 219 Ca 0.15 -2.28 -0.31 0.00 -0.77 0.00 0.00 57.85 54.64 3ag5 n ARG 219 Cb -0.03 -0.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.74 3ag5 n ARG 219 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3ag5 s GLN 220 N -1.62 2.78 0.10 5.56 0.74 -1.26 -3.00 119.66 122.96 3ag5 s GLN 220 Ca 0.19 -0.77 -0.34 0.00 0.05 0.00 0.00 55.36 54.48 3ag5 s GLN 220 Cb 0.35 -2.23 -0.14 0.00 1.10 0.00 0.00 33.01 32.09 3ag5 s GLN 220 CO -0.08 0.02 1.54 0.66 -0.55 0.00 0.00 175.29 176.88 3ag5 h SER 221 N 7.18 -1.59 -0.13 6.67 4.64 -1.66 -0.08 113.55 128.59 3ag5 h SER 221 Ca -0.29 0.17 0.04 0.00 -0.47 0.00 0.00 61.79 61.24 3ag5 h SER 221 Cb 1.20 0.59 -0.01 0.00 -0.31 0.00 0.00 62.40 63.88 3ag5 h SER 221 CO 0.52 -0.54 0.13 0.11 -0.87 0.00 0.00 176.83 176.18 3ag5 h LYS 222 N -0.71 0.00 0.05 4.77 1.57 -1.91 -0.19 116.57 120.15 3ag5 h LYS 222 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 3ag5 h LYS 222 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3ag5 h LYS 222 CO -0.31 0.00 -0.88 0.28 -0.57 0.00 0.00 179.45 177.98 3ag5 h VAL 223 N 0.00 1.27 -0.21 0.50 2.07 -1.81 -2.84 116.25 115.23 3ag5 h VAL 223 Ca 0.06 -2.33 -0.05 0.00 0.82 0.00 0.00 66.70 65.20 3ag5 h VAL 223 Cb 0.32 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 3ag5 h VAL 223 CO -0.00 0.55 -0.11 0.16 0.02 0.00 0.00 177.57 178.20 3ag5 h ILE 224 N -0.74 1.19 0.11 4.57 3.07 -0.81 -2.05 117.51 122.85 3ag5 h ILE 224 Ca -0.21 -0.83 -0.01 0.00 1.55 0.00 0.00 64.86 65.37 3ag5 h ILE 224 Cb 1.37 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 3ag5 h ILE 224 CO -0.04 0.27 -0.05 0.40 -1.05 0.00 0.00 178.15 177.68 3ag5 h ILE 225 N 0.32 0.00 -1.11 0.16 2.04 -1.17 -3.26 117.51 114.50 3ag5 h ILE 225 Ca 0.07 -0.10 0.36 0.00 1.00 0.00 0.00 64.86 66.18 3ag5 h ILE 225 Cb 0.39 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.33 3ag5 h ILE 225 CO 0.02 0.00 0.67 0.44 0.00 0.00 0.00 178.15 179.28 3ag5 h ASP 226 N -0.25 0.41 -0.04 1.72 5.19 -1.53 1.17 116.42 123.08 3ag5 h ASP 226 Ca -0.02 0.16 0.01 0.00 -0.62 0.00 0.00 57.03 56.57 3ag5 h ASP 226 Cb 0.11 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 3ag5 h ASP 226 CO 0.02 -0.14 0.04 -0.09 -3.12 0.00 0.00 179.24 175.95 3ag5 h ARG 227 N 0.24 0.00 0.00 3.56 9.65 -1.44 -2.22 114.38 124.16 3ag5 h ARG 227 Ca 0.75 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 59.57 3ag5 h ARG 227 Cb 1.97 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.54 3ag5 h ARG 227 CO -0.51 0.00 -0.52 0.28 2.80 0.00 0.00 179.97 182.02 3ag5 h VAL 228 N 0.00 0.43 -1.46 0.20 2.07 0.13 -3.22 116.25 114.40 3ag5 h VAL 228 Ca 0.02 -1.44 0.42 0.00 0.82 0.00 0.00 66.70 66.52 3ag5 h VAL 228 Cb 0.10 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 3ag5 h VAL 228 CO -0.00 0.14 1.05 0.74 0.02 0.00 0.00 177.57 179.52 3ag5 h THR 229 N -1.00 0.27 0.06 2.57 2.02 -1.27 0.57 112.91 116.12 3ag5 h THR 229 Ca -0.08 -0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.95 3ag5 h THR 229 Cb 0.65 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3ag5 h THR 229 CO -0.05 0.00 -0.58 -0.33 0.37 0.00 0.00 175.52 174.93 3ag5 h GLU 230 N 0.01 0.29 -0.46 6.66 5.08 -1.56 -3.01 114.58 121.59 3ag5 h GLU 230 Ca 0.70 -0.39 0.05 0.00 -1.00 0.00 0.00 59.36 58.72 3ag5 h GLU 230 Cb 2.78 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 32.12 3ag5 h GLU 230 CO -0.02 1.12 0.20 -0.92 -1.00 0.00 0.00 179.01 178.39 3ag5 h TYR 231 N -0.36 0.36 0.51 4.33 5.03 0.06 -1.83 116.97 125.07 3ag5 h TYR 231 Ca -0.09 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.22 3ag5 h TYR 231 Cb 1.37 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.56 3ag5 h TYR 231 CO 0.19 0.16 -0.24 -0.07 -1.32 0.00 0.00 178.16 176.87 3ag5 h LEU 232 N 0.40 -0.58 -1.76 2.82 3.38 -1.25 -2.59 115.31 115.72 3ag5 h LEU 232 Ca 0.21 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.33 3ag5 h LEU 232 Cb 0.17 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3ag5 h LEU 232 CO -0.18 -0.37 0.58 -0.33 0.09 0.00 0.00 178.44 178.22 3ag5 h GLU 233 N -0.77 0.00 -0.10 1.13 5.08 -1.53 0.33 114.58 118.71 3ag5 h GLU 233 Ca -0.07 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.09 3ag5 h GLU 233 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3ag5 h GLU 233 CO 0.11 0.00 -0.75 1.03 -1.00 0.00 0.00 179.01 178.41 3ag5 h SER 234 N 0.00 0.64 -0.28 1.42 0.87 -1.13 -3.32 113.55 111.75 3ag5 h SER 234 Ca 0.21 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 3ag5 h SER 234 Cb 1.36 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3ag5 h SER 234 CO -0.00 1.18 0.00 1.41 -0.53 0.00 0.00 176.83 178.88 3ag5 n HIS 235 N -3.87 0.36 -4.04 2.24 8.25 0.10 -5.00 115.22 113.27 3ag5 n HIS 235 Ca -0.05 -0.21 -0.10 0.00 -0.26 0.00 0.00 57.72 57.09 3ag5 n HIS 235 Cb 0.72 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.76 3ag5 n HIS 235 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3ag5 s ILE 236 N -1.39 0.02 -0.24 1.59 -4.36 -0.59 -4.92 121.20 111.32 3ag5 s ILE 236 Ca 0.31 -1.55 -0.12 0.00 -0.26 0.00 0.00 60.65 59.03 3ag5 s ILE 236 Cb 0.19 -2.17 -0.10 0.00 1.25 0.00 0.00 42.46 41.63 3ag5 s ILE 236 CO 0.27 -0.09 -0.31 -0.24 0.24 0.00 0.00 174.94 174.81 3ag5 n SER 237 N -0.30 1.67 -4.43 4.36 2.88 -1.26 -4.65 113.62 111.89 3ag5 n SER 237 Ca -0.02 0.29 -0.48 0.00 -1.33 0.00 0.00 58.87 57.33 3ag5 n SER 237 Cb 0.63 -0.70 -0.03 0.00 -0.75 0.00 0.00 64.21 63.36 3ag5 n SER 237 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3ag5 n GLU 238 N -4.07 0.19 -1.90 -1.46 4.71 -1.26 -4.84 120.64 112.01 3ag5 n GLU 238 Ca -0.46 0.07 -0.41 0.00 -0.01 0.00 0.00 57.16 56.34 3ag5 n GLU 238 Cb 0.83 -1.14 -0.01 0.00 -1.01 0.00 0.00 31.44 30.10 3ag5 n GLU 238 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 3ag5 s ARG 239 N -1.03 4.19 -0.96 3.49 3.52 -1.26 -4.85 118.95 122.05 3ag5 s ARG 239 Ca 0.64 2.45 -0.23 0.00 -0.13 0.00 0.00 55.73 58.47 3ag5 s ARG 239 Cb -0.91 -3.02 0.06 0.00 -1.56 0.00 0.00 34.95 29.52 3ag5 s ARG 239 CO 0.57 -0.45 1.35 0.42 -0.81 0.00 0.00 175.30 176.37 3ag5 s ILE 240 N -0.81 4.08 0.37 4.11 -1.09 -1.26 -2.96 121.20 123.63 3ag5 s ILE 240 Ca 0.54 -0.78 0.13 0.00 -2.23 0.00 0.00 60.65 58.31 3ag5 s ILE 240 Cb -0.44 -4.97 0.35 0.00 -1.58 0.00 0.00 42.46 35.81 3ag5 s ILE 240 CO 0.56 -1.82 1.81 -0.08 -1.23 0.00 0.00 174.94 174.17 3ag5 h GLU 241 N 9.62 0.54 -1.54 2.79 4.81 -1.39 -3.44 114.58 125.97 3ag5 h GLU 241 Ca 0.12 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3ag5 h GLU 241 Cb 1.02 -0.12 -0.26 0.00 0.63 0.00 0.00 28.75 30.02 3ag5 h GLU 241 CO 1.34 0.36 0.52 -2.00 -0.73 0.00 0.00 179.01 178.50 3ag5 s GLU 242 N -5.62 0.50 -0.35 1.92 2.12 -0.87 -4.98 118.70 111.42 3ag5 s GLU 242 Ca -0.10 0.39 0.03 0.00 0.36 0.00 0.00 54.97 55.66 3ag5 s GLU 242 Cb 0.24 0.24 0.16 0.00 0.26 0.00 0.00 34.13 35.03 3ag5 s GLU 242 CO 0.79 -0.10 0.41 0.08 -0.54 0.00 0.00 175.26 175.91 3ag5 s VAL 243 N -0.29 -0.52 0.24 3.70 1.01 -1.25 -0.71 120.40 122.58 3ag5 s VAL 243 Ca 0.02 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.48 3ag5 s VAL 243 Cb -0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 3ag5 s VAL 243 CO -0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 175.10 174.62 3ag5 s ALA 244 N 1.89 3.10 -0.06 5.51 0.00 -1.00 -4.99 121.76 126.21 3ag5 s ALA 244 Ca 0.14 -1.59 -0.00 0.00 0.00 0.00 0.00 51.96 50.50 3ag5 s ALA 244 Cb -0.13 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.25 3ag5 s ALA 244 CO -0.14 0.33 -0.01 0.08 0.00 0.00 0.00 175.76 176.02 3ag5 s VAL 245 N -2.13 0.43 0.20 0.00 1.01 -1.26 -1.74 120.40 116.92 3ag5 s VAL 245 Ca 0.29 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.39 3ag5 s VAL 245 Cb -0.07 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 3ag5 s VAL 245 CO 0.18 0.25 -0.15 -0.31 0.00 0.00 0.00 175.10 175.07 3ag5 s TYR 246 N 1.59 1.72 0.65 5.22 1.51 0.48 -4.58 117.35 123.94 3ag5 s TYR 246 Ca -0.01 -0.56 -0.12 0.00 -1.01 0.00 0.00 57.07 55.37 3ag5 s TYR 246 Cb -0.13 -0.80 -0.02 0.00 -0.11 0.00 0.00 41.96 40.90 3ag5 s TYR 246 CO -0.04 0.36 1.05 -1.54 -1.11 0.00 0.00 175.55 174.27 3ag5 s SER 247 N -3.27 5.74 -0.07 2.29 1.04 0.91 0.14 113.70 120.48 3ag5 s SER 247 Ca 0.22 1.58 -0.07 0.00 0.48 0.00 0.00 55.95 58.15 3ag5 s SER 247 Cb -0.01 -2.49 0.02 0.00 0.10 0.00 0.00 66.02 63.63 3ag5 s SER 247 CO 0.07 -1.20 0.20 -0.47 0.98 0.00 0.00 173.24 172.82 3ag5 s TYR 248 N -3.00 -0.19 -1.86 5.02 6.14 0.33 0.12 117.35 123.91 3ag5 s TYR 248 Ca 0.58 0.47 0.00 0.00 0.64 0.00 0.00 57.07 58.75 3ag5 s TYR 248 Cb -0.13 0.06 0.00 0.00 0.42 0.00 0.00 41.96 42.31 3ag5 s TYR 248 CO 0.51 -0.13 0.78 -2.30 0.64 0.00 0.00 175.55 175.05 3ag5 n PRO 249 N 2.76 0.83 0.16 4.97 -0.02 -1.26 -3.60 135.00 138.84 3ag5 n PRO 249 Ca -0.14 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.36 3ag5 n PRO 249 Cb 0.58 -1.06 0.25 0.00 -0.02 0.00 0.00 33.50 33.25 3ag5 n PRO 249 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3ag5 h GLN 250 N 0.02 0.00 -0.96 -0.52 1.08 -1.93 -3.48 115.11 109.32 3ag5 h GLN 250 Ca 0.00 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.82 3ag5 h GLN 250 Cb 0.06 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 27.34 3ag5 h GLN 250 CO 0.00 0.51 -0.34 1.28 -0.95 0.00 0.00 178.83 179.32 3ag5 n LEU 251 N -3.69 -1.26 -4.91 1.46 4.77 0.33 -4.93 117.00 108.76 3ag5 n LEU 251 Ca -0.01 0.46 -0.21 0.00 -0.03 0.00 0.00 56.01 56.22 3ag5 n LEU 251 Cb 0.56 -2.74 -0.03 0.00 -2.33 0.00 0.00 43.42 38.89 3ag5 n LEU 251 CO 0.40 -1.04 -0.08 0.68 -1.33 0.00 0.00 177.39 176.01 3ag5 s VAL 252 N -2.56 4.81 -0.02 4.08 -7.23 -1.24 -4.52 120.40 113.73 3ag5 s VAL 252 Ca 0.00 -1.16 -0.17 0.00 -1.81 0.00 0.00 61.98 58.84 3ag5 s VAL 252 Cb 0.00 -3.64 -0.05 0.00 0.56 0.00 0.00 36.38 33.25 3ag5 s VAL 252 CO 0.00 -0.32 0.47 -1.83 -0.31 0.00 0.00 175.10 173.11 3ag5 s GLU 253 N -3.94 4.12 -0.16 4.82 -1.05 -1.26 -0.06 118.70 121.16 3ag5 s GLU 253 Ca 0.35 0.50 -0.09 0.00 -0.15 0.00 0.00 54.97 55.58 3ag5 s GLU 253 Cb -0.08 -3.29 0.06 0.00 -0.44 0.00 0.00 34.13 30.37 3ag5 s GLU 253 CO 0.28 0.51 0.39 1.14 0.95 0.00 0.00 175.26 178.53 3ag5 s GLN 254 N -0.53 0.37 0.31 -4.83 -2.07 -1.26 -4.98 119.66 106.66 3ag5 s GLN 254 Ca 0.26 0.76 0.19 0.00 -1.82 0.00 0.00 55.36 54.75 3ag5 s GLN 254 Cb -0.17 -0.03 1.09 0.00 -1.09 0.00 0.00 33.01 32.81 3ag5 s GLN 254 CO 0.14 -0.16 1.23 0.72 -1.32 0.00 0.00 175.29 175.90 3ag5 n HIS 255 N 4.24 0.80 -3.94 9.60 8.25 -1.26 -4.32 115.22 128.60 3ag5 n HIS 255 Ca -0.23 0.80 -0.10 0.00 -0.26 0.00 0.00 57.72 57.93 3ag5 n HIS 255 Cb 0.55 -1.22 -0.12 0.00 1.12 0.00 0.00 29.99 30.32 3ag5 n HIS 255 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3ag5 s GLU 256 N -5.09 0.19 0.10 -0.41 2.02 -1.26 -2.16 118.70 112.09 3ag5 s GLU 256 Ca -0.07 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 54.56 3ag5 s GLU 256 Cb 0.26 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.52 3ag5 s GLU 256 CO 0.62 -0.03 0.23 0.96 0.02 0.00 0.00 175.26 177.06 3ag5 s ILE 257 N -0.90 5.32 -0.05 -1.63 -4.36 -1.16 -4.90 121.20 113.52 3ag5 s ILE 257 Ca -0.10 -0.53 -0.07 0.00 -0.26 0.00 0.00 60.65 59.70 3ag5 s ILE 257 Cb -0.06 -3.66 -0.02 0.00 1.25 0.00 0.00 42.46 39.97 3ag5 s ILE 257 CO -0.01 0.04 -0.13 0.41 0.24 0.00 0.00 174.94 175.50 3ag5 n THR 258 N -0.04 0.76 -0.88 8.37 -1.04 -1.26 -4.96 114.28 115.24 3ag5 n THR 258 Ca -0.06 0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 3ag5 n THR 258 Cb 0.52 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 3ag5 n THR 258 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ag5 n GLY 259 N 2.14 2.26 3.70 3.41 0.00 -1.26 -5.08 105.19 110.35 3ag5 n GLY 259 Ca -0.05 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 3ag5 n GLY 259 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ag5 s ARG 260 N 4.04 1.31 0.25 1.61 0.52 -1.24 -4.84 118.95 120.61 3ag5 s ARG 260 Ca 0.00 1.48 0.04 0.00 -0.52 0.00 0.00 55.73 56.73 3ag5 s ARG 260 Cb 0.00 -1.77 -0.05 0.00 0.52 0.00 0.00 34.95 33.65 3ag5 s ARG 260 CO 0.00 -2.41 -0.00 0.96 0.02 0.00 0.00 175.30 173.87 3ag5 s ILE 261 N -2.68 1.14 -0.13 1.52 -4.36 -1.14 -0.52 121.20 115.03 3ag5 s ILE 261 Ca 0.66 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 3ag5 s ILE 261 Cb -0.22 -2.44 0.02 0.00 1.25 0.00 0.00 42.46 41.08 3ag5 s ILE 261 CO 0.57 -0.26 -0.12 0.12 0.24 0.00 0.00 174.94 175.49 3ag5 s PHE 262 N -3.35 1.88 -0.17 1.37 2.19 0.37 -2.67 117.98 117.60 3ag5 s PHE 262 Ca 0.30 -1.00 -0.04 0.00 0.33 0.00 0.00 56.93 56.52 3ag5 s PHE 262 Cb 0.06 -1.44 -0.03 0.00 -1.31 0.00 0.00 43.02 40.31 3ag5 s PHE 262 CO 0.10 -0.59 -0.02 0.42 1.83 0.00 0.00 175.22 176.96 3ag5 s ILE 263 N 1.52 3.93 -0.24 3.12 1.01 -0.73 -0.39 121.20 129.43 3ag5 s ILE 263 Ca 0.04 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3ag5 s ILE 263 Cb -0.13 -2.75 0.06 0.00 0.01 0.00 0.00 42.46 39.65 3ag5 s ILE 263 CO -0.09 0.47 -0.10 -0.94 0.00 0.00 0.00 174.94 174.28 3ag5 s SER 264 N 0.60 4.04 0.19 3.58 1.04 -0.71 -2.83 113.70 119.61 3ag5 s SER 264 Ca -0.02 -1.21 -0.04 0.00 0.48 0.00 0.00 55.95 55.16 3ag5 s SER 264 Cb -0.14 -1.38 -0.05 0.00 0.10 0.00 0.00 66.02 64.54 3ag5 s SER 264 CO 0.02 -0.19 0.43 -0.76 0.98 0.00 0.00 173.24 173.72 3ag5 s LEU 265 N 1.25 4.21 -0.39 2.42 1.43 -0.43 -2.38 118.68 124.79 3ag5 s LEU 265 Ca -0.06 0.60 0.05 0.00 -1.03 0.00 0.00 54.13 53.69 3ag5 s LEU 265 Cb -0.19 -3.35 0.17 0.00 0.03 0.00 0.00 46.19 42.85 3ag5 s LEU 265 CO -0.06 -0.03 0.49 0.00 0.23 0.00 0.00 176.35 176.98 3ag5 s ALA 266 N -1.80 -1.35 -0.28 4.21 0.00 0.11 -2.77 121.76 119.88 3ag5 s ALA 266 Ca 0.42 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 51.85 3ag5 s ALA 266 Cb -0.11 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 3ag5 s ALA 266 CO 0.26 -2.17 0.29 0.08 0.00 0.00 0.00 175.76 174.23 3ag5 s VAL 267 N 1.66 5.23 -0.85 0.00 1.01 -0.74 -0.94 120.40 125.76 3ag5 s VAL 267 Ca 0.16 0.33 -0.20 0.00 0.00 0.00 0.00 61.98 62.28 3ag5 s VAL 267 Cb -0.10 -3.64 0.12 0.00 0.00 0.00 0.00 36.38 32.75 3ag5 s VAL 267 CO -0.06 0.17 1.07 -0.75 0.00 0.00 0.00 175.10 175.53 3ag5 s LYS 268 N 1.93 3.46 0.27 2.72 2.36 -1.16 -1.01 119.74 128.32 3ag5 s LYS 268 Ca 0.11 -1.53 -0.05 0.00 -2.55 0.00 0.00 55.97 51.96 3ag5 s LYS 268 Cb -0.16 -4.74 0.07 0.00 -1.05 0.00 0.00 37.83 31.95 3ag5 s LYS 268 CO 0.11 -1.78 0.32 1.19 1.55 0.00 0.00 175.35 176.73 3ag5 n PHE 269 N 6.82 -3.69 0.00 4.03 3.01 -0.75 -4.35 117.46 122.53 3ag5 n PHE 269 Ca 0.16 -0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.34 3ag5 n PHE 269 Cb 0.48 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 3ag5 n PHE 269 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3ag5 n SER 270 N -3.32 0.00 -1.24 4.37 7.64 -1.26 -3.71 113.62 116.09 3ag5 n SER 270 Ca 0.04 0.20 0.12 0.00 1.01 0.00 0.00 58.87 60.24 3ag5 n SER 270 Cb 0.15 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.61 3ag5 n SER 270 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ag5 n LYS 271 N -0.40 2.61 -3.66 1.43 5.02 -1.26 -4.94 118.16 116.97 3ag5 n LYS 271 Ca 0.00 -2.46 -0.10 0.00 -2.02 0.00 0.00 58.31 53.72 3ag5 n LYS 271 Cb 0.00 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.39 3ag5 n LYS 271 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ag5 s ALA 272 N -1.25 -1.58 -0.26 7.82 0.00 -1.24 -5.00 121.76 120.24 3ag5 s ALA 272 Ca 0.43 1.98 -0.09 0.00 0.00 0.00 0.00 51.96 54.28 3ag5 s ALA 272 Cb 0.24 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 3ag5 s ALA 272 CO 0.32 -0.32 0.14 -0.98 0.00 0.00 0.00 175.76 174.92 3ag5 s ARG 273 N 1.05 3.84 0.45 0.00 1.70 -1.26 -1.81 118.95 122.92 3ag5 s ARG 273 Ca -0.06 -0.38 -0.03 0.00 -0.47 0.00 0.00 55.73 54.79 3ag5 s ARG 273 Cb -0.05 -3.52 -0.03 0.00 -0.57 0.00 0.00 34.95 30.78 3ag5 s ARG 273 CO -0.10 -0.17 0.72 -0.51 -1.08 0.00 0.00 175.30 174.17 3ag5 s LEU 274 N 1.65 3.72 0.11 -1.89 1.43 -0.18 -4.92 118.68 118.60 3ag5 s LEU 274 Ca 0.07 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 53.93 3ag5 s LEU 274 Cb -0.15 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 3ag5 s LEU 274 CO 0.08 -0.52 0.03 0.27 0.23 0.00 0.00 176.35 176.43 3ag5 s ILE 275 N -2.63 0.18 0.06 -0.59 -4.36 -1.26 -1.80 121.20 110.80 3ag5 s ILE 275 Ca 0.46 -1.89 -0.27 0.00 -0.26 0.00 0.00 60.65 58.68 3ag5 s ILE 275 Cb -0.10 -1.90 0.09 0.00 1.25 0.00 0.00 42.46 41.79 3ag5 s ILE 275 CO 0.42 -0.61 0.94 -0.62 0.24 0.00 0.00 174.94 175.31 3ag5 s ASP 276 N -3.02 -0.27 -0.08 4.36 2.15 -1.11 -4.90 116.67 113.79 3ag5 s ASP 276 Ca 0.19 -0.17 -0.32 0.00 0.43 0.00 0.00 52.55 52.68 3ag5 s ASP 276 Cb 0.07 0.42 0.13 0.00 -0.30 0.00 0.00 42.92 43.24 3ag5 s ASP 276 CO -0.01 -0.72 1.30 0.54 -0.17 0.00 0.00 175.17 176.10 3ag5 s ASN 277 N -2.69 -0.06 0.19 -0.34 2.20 -1.26 -1.32 114.94 111.66 3ag5 s ASN 277 Ca 0.08 -0.09 -0.23 0.00 -0.94 0.00 0.00 52.86 51.69 3ag5 s ASN 277 Cb -0.01 0.13 0.05 0.00 -2.00 0.00 0.00 41.25 39.42 3ag5 s ASN 277 CO -0.04 -0.23 0.77 0.27 -2.94 0.00 0.00 177.10 174.93 3ag5 s ILE 278 N -2.35 0.00 -0.03 0.54 -4.36 -1.13 -5.00 121.20 108.88 3ag5 s ILE 278 Ca 0.13 -0.61 0.02 0.00 -0.26 0.00 0.00 60.65 59.94 3ag5 s ILE 278 Cb 0.04 -1.69 0.01 0.00 1.25 0.00 0.00 42.46 42.06 3ag5 s ILE 278 CO -0.04 0.00 -0.09 0.27 0.24 0.00 0.00 174.94 175.32 3ag5 s ILE 279 N -3.64 0.77 0.04 8.37 -4.36 -1.26 -1.78 121.20 119.35 3ag5 s ILE 279 Ca 0.09 -0.34 0.04 0.00 -0.26 0.00 0.00 60.65 60.17 3ag5 s ILE 279 Cb -0.03 -0.70 -0.02 0.00 1.25 0.00 0.00 42.46 42.96 3ag5 s ILE 279 CO 0.00 0.25 -0.11 0.27 0.24 0.00 0.00 174.94 175.58 3ag5 s ILE 280 N 0.28 0.87 0.00 8.37 -5.25 -1.09 -4.97 121.20 119.41 3ag5 s ILE 280 Ca -0.05 -0.97 0.00 0.00 -0.99 0.00 0.00 60.65 58.65 3ag5 s ILE 280 Cb -0.09 -0.83 0.00 0.00 2.95 0.00 0.00 42.46 44.49 3ag5 s ILE 280 CO 0.01 -0.12 0.00 0.61 -1.79 0.00 0.00 174.94 173.64 3ag5 n GLY 281 N 1.82 0.61 0.00 6.27 0.00 -1.26 -2.87 105.19 109.75 3ag5 n GLY 281 Ca -0.19 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3ag5 n GLY 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag5 n ALA 282 N -0.98 0.00 0.12 4.61 0.00 -1.26 -5.05 120.51 117.96 3ag5 n ALA 282 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3ag5 n ALA 282 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3ag5 n ALA 282 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89