#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h19 s GLY 3 N 0.00 2.14 0.38 0.00 0.00 -1.26 -4.86 107.32 103.72 3h19 s GLY 3 Ca 0.00 0.80 0.10 0.00 0.00 0.00 0.00 44.72 45.62 3h19 s GLY 3 CO 0.00 1.22 1.93 -0.56 0.00 0.00 0.00 173.10 175.69 3h19 h PRO 4 N -0.87 0.61 -0.33 2.90 0.13 -2.02 -3.15 132.00 129.26 3h19 h PRO 4 Ca -0.46 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 3h19 h PRO 4 Cb 1.29 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3h19 h PRO 4 CO 0.47 0.40 -0.14 0.93 -0.23 0.00 0.00 178.00 179.43 3h19 h GLU 5 N 0.62 0.68 0.07 0.86 3.07 -1.90 -0.82 114.58 117.16 3h19 h GLU 5 Ca 0.35 -0.29 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3h19 h GLU 5 Cb 0.52 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3h19 h GLU 5 CO -0.13 0.88 -0.04 0.97 -1.40 0.00 0.00 179.01 179.29 3h19 h ILE 6 N 0.45 0.92 -0.56 3.13 6.09 -1.88 0.23 117.51 125.88 3h19 h ILE 6 Ca 0.08 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 63.66 3h19 h ILE 6 Cb 0.66 0.92 -0.11 0.00 0.47 0.00 0.00 36.82 38.76 3h19 h ILE 6 CO 0.04 0.00 -0.41 0.58 -3.07 0.00 0.00 178.15 175.29 3h19 h VAL 7 N -0.10 0.11 0.21 2.19 2.07 -1.46 0.57 116.25 119.83 3h19 h VAL 7 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3h19 h VAL 7 Cb 0.08 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3h19 h VAL 7 CO 0.01 0.00 -0.10 0.50 0.02 0.00 0.00 177.57 178.00 3h19 h LYS 8 N -0.22 -0.27 -0.59 1.57 3.64 -0.88 -1.83 116.57 117.98 3h19 h LYS 8 Ca 0.19 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.70 3h19 h LYS 8 Cb 0.56 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.35 3h19 h LYS 8 CO -0.67 -0.14 0.04 1.25 -2.27 0.00 0.00 179.45 177.66 3h19 h LEU 9 N -0.34 -0.18 -0.56 5.20 5.85 -0.18 -0.87 115.31 124.24 3h19 h LEU 9 Ca -0.03 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3h19 h LEU 9 Cb 0.26 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 3h19 h LEU 9 CO 0.05 -0.07 0.25 0.11 -0.34 0.00 0.00 178.44 178.43 3h19 h LYS 10 N 0.16 0.45 -0.17 1.25 1.57 0.30 -1.50 116.57 118.63 3h19 h LYS 10 Ca 0.31 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.09 3h19 h LYS 10 Cb 0.48 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3h19 h LYS 10 CO -0.47 0.30 0.00 -0.22 -0.57 0.00 0.00 179.45 178.49 3h19 h LYS 11 N 0.46 0.06 -0.77 3.15 3.64 -0.44 -2.18 116.57 120.49 3h19 h LYS 11 Ca 0.26 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3h19 h LYS 11 Cb 0.24 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 3h19 h LYS 11 CO -0.22 0.04 0.50 0.82 -2.27 0.00 0.00 179.45 178.32 3h19 h ILE 12 N 0.06 1.18 -0.37 2.00 2.04 -0.87 0.28 117.51 121.83 3h19 h ILE 12 Ca 0.08 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 3h19 h ILE 12 Cb 0.10 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 3h19 h ILE 12 CO -0.13 0.19 0.04 -0.07 0.00 0.00 0.00 178.15 178.18 3h19 h LEU 13 N 1.02 0.60 -0.23 1.44 3.38 -1.24 -0.24 115.31 120.04 3h19 h LEU 13 Ca 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3h19 h LEU 13 Cb -0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3h19 h LEU 13 CO -0.07 0.73 0.09 0.03 0.09 0.00 0.00 178.44 179.30 3h19 h ARG 14 N 0.46 0.35 -0.96 1.13 3.08 -1.11 -1.23 114.38 116.11 3h19 h ARG 14 Ca 0.11 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.19 3h19 h ARG 14 Cb 0.39 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.31 3h19 h ARG 14 CO 0.01 0.40 0.61 0.93 -1.07 0.00 0.00 179.97 180.86 3h19 h GLU 15 N 0.22 0.96 0.00 0.04 5.08 -0.35 -2.68 114.58 117.85 3h19 h GLU 15 Ca 0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3h19 h GLU 15 Cb 0.19 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3h19 h GLU 15 CO -0.01 0.64 -0.39 0.87 -1.00 0.00 0.00 179.01 179.12 3h19 h LYS 16 N 0.99 0.00 -6.79 2.33 1.57 -0.92 -3.48 116.57 110.26 3h19 h LYS 16 Ca 0.45 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.66 3h19 h LYS 16 Cb 0.39 0.00 0.17 0.00 0.08 0.00 0.00 32.23 32.87 3h19 h LYS 16 CO -0.21 0.03 0.02 0.00 -0.57 0.00 0.00 179.45 178.72 3h19 n ALA 17 N -2.14 -0.14 -1.98 3.86 0.00 -0.47 -4.99 120.51 114.65 3h19 n ALA 17 Ca 0.02 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 3h19 n ALA 17 Cb 0.55 -2.06 -0.05 0.00 0.00 0.00 0.00 19.45 17.90 3h19 n ALA 17 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3h19 s VAL 18 N -1.59 4.09 0.50 0.00 1.01 -1.26 -5.01 120.40 118.13 3h19 s VAL 18 Ca 0.75 1.90 -0.22 0.00 0.00 0.00 0.00 61.98 64.41 3h19 s VAL 18 Cb -0.41 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 31.68 3h19 s VAL 18 CO 0.48 0.38 1.03 -2.65 0.00 0.00 0.00 175.10 174.34 3h19 n PRO 19 N 2.06 1.27 -1.68 2.72 -0.02 -1.26 -4.85 135.00 133.25 3h19 n PRO 19 Ca 0.01 0.46 -0.46 0.00 -2.02 0.00 0.00 63.50 61.49 3h19 n PRO 19 Cb 0.47 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 3h19 n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3h19 n PRO 20 N -0.35 2.37 -2.38 0.52 -0.02 -1.26 -1.27 135.00 132.61 3h19 n PRO 20 Ca 0.11 0.87 -0.06 0.00 -2.02 0.00 0.00 63.50 62.40 3h19 n PRO 20 Cb 0.43 -2.73 0.01 0.00 -0.02 0.00 0.00 33.50 31.19 3h19 n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h19 n GLY 21 N 4.27 0.33 3.84 -1.23 0.00 -1.26 -5.06 105.19 106.07 3h19 n GLY 21 Ca 0.21 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 3h19 n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h19 s THR 22 N -2.60 5.22 -0.37 2.61 -4.23 -0.40 -5.08 115.64 110.79 3h19 s THR 22 Ca 0.06 0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.48 3h19 s THR 22 Cb -0.03 -3.30 0.04 0.00 1.34 0.00 0.00 72.50 70.55 3h19 s THR 22 CO 0.07 0.54 0.20 -0.70 -0.54 0.00 0.00 174.62 174.19 3h19 s GLU 23 N -1.23 2.76 -0.25 3.99 2.12 -1.26 -4.98 118.70 119.85 3h19 s GLU 23 Ca 0.18 -1.14 -0.11 0.00 0.36 0.00 0.00 54.97 54.26 3h19 s GLU 23 Cb -0.12 -3.69 -0.05 0.00 0.26 0.00 0.00 34.13 30.53 3h19 s GLU 23 CO 0.07 -0.73 0.17 0.08 -0.54 0.00 0.00 175.26 174.31 3h19 s VAL 24 N 1.51 5.35 0.78 3.70 1.01 -1.26 -5.05 120.40 126.44 3h19 s VAL 24 Ca 0.01 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 3h19 s VAL 24 Cb -0.20 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3h19 s VAL 24 CO 0.06 0.33 0.38 -2.65 0.00 0.00 0.00 175.10 173.21 3h19 n PRO 25 N 4.43 0.14 -0.10 2.72 -0.02 -1.26 -4.71 135.00 136.20 3h19 n PRO 25 Ca -0.15 0.09 -0.10 0.00 -2.02 0.00 0.00 63.50 61.32 3h19 n PRO 25 Cb 0.52 -1.74 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 3h19 n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3h19 h LEU 26 N -0.64 0.46 -2.08 2.45 6.46 -2.00 -1.78 115.31 118.18 3h19 h LEU 26 Ca -0.45 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.07 3h19 h LEU 26 Cb 1.34 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 41.15 3h19 h LEU 26 CO 0.39 0.57 -0.04 -2.24 -0.62 0.00 0.00 178.44 176.50 3h19 h ASP 27 N 0.32 0.00 0.18 1.25 2.03 -1.98 0.16 116.42 118.38 3h19 h ASP 27 Ca 0.09 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.09 3h19 h ASP 27 Cb 0.29 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.82 3h19 h ASP 27 CO 0.00 0.04 -1.28 0.58 -1.03 0.00 0.00 179.24 177.55 3h19 h VAL 28 N 0.00 1.29 -0.54 4.15 2.07 -1.80 0.19 116.25 121.62 3h19 h VAL 28 Ca -0.00 -2.53 -0.10 0.00 0.82 0.00 0.00 66.70 64.89 3h19 h VAL 28 Cb 0.30 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 3h19 h VAL 28 CO 0.01 0.77 -0.05 0.24 0.02 0.00 0.00 177.57 178.56 3h19 h MET 29 N 0.25 0.98 -0.58 1.57 2.86 -0.39 -2.48 114.93 117.13 3h19 h MET 29 Ca -0.20 -0.34 0.06 0.00 -2.06 0.00 0.00 59.70 57.17 3h19 h MET 29 Cb 1.96 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 33.49 3h19 h MET 29 CO 0.24 1.01 0.29 0.00 1.06 0.00 0.00 176.91 179.51 3h19 h ARG 30 N 0.85 0.53 -0.15 1.72 3.08 -0.74 0.45 114.38 120.12 3h19 h ARG 30 Ca 0.15 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 3h19 h ARG 30 Cb 0.60 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.53 3h19 h ARG 30 CO 0.04 0.35 -0.56 0.87 -1.07 0.00 0.00 179.97 179.59 3h19 h LYS 31 N 0.55 0.65 -0.72 0.04 1.57 -0.92 -2.70 116.57 115.04 3h19 h LYS 31 Ca 0.27 -0.49 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 3h19 h LYS 31 Cb 0.20 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3h19 h LYS 31 CO -0.19 1.11 0.24 0.78 -0.57 0.00 0.00 179.45 180.82 3h19 h GLY 32 N 0.31 1.17 1.01 3.86 0.00 -1.35 0.11 103.07 108.19 3h19 h GLY 32 Ca -0.03 -0.67 0.02 0.00 0.00 0.00 0.00 47.33 46.65 3h19 h GLY 32 CO 0.12 0.63 0.64 1.98 0.00 0.00 0.00 176.54 179.90 3h19 h MET 33 N 1.05 1.24 -0.25 4.80 1.85 -0.86 -2.20 114.93 120.56 3h19 h MET 33 Ca 0.23 -0.07 -0.06 0.00 -0.61 0.00 0.00 59.70 59.19 3h19 h MET 33 Cb 0.27 -0.28 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 3h19 h MET 33 CO -0.01 0.82 -0.08 0.93 -0.40 0.00 0.00 176.91 178.17 3h19 h GLU 34 N 1.27 0.49 -0.19 0.39 4.39 -1.08 -2.94 114.58 116.91 3h19 h GLU 34 Ca 0.36 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 3h19 h GLU 34 Cb -0.09 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 3h19 h GLU 34 CO -0.09 0.73 -0.29 1.57 -1.16 0.00 0.00 179.01 179.77 3h19 h LYS 35 N 0.22 0.37 -0.00 2.33 5.09 -0.71 -3.14 116.57 120.73 3h19 h LYS 35 Ca 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 60.65 60.66 3h19 h LYS 35 Cb 0.56 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.87 3h19 h LYS 35 CO 0.03 0.63 -0.22 1.33 -2.09 0.00 0.00 179.45 179.13 3h19 n VAL 36 N -4.11 0.00 -1.69 0.07 0.24 -0.83 -4.95 118.33 107.06 3h19 n VAL 36 Ca -0.01 -0.07 -0.44 0.00 -2.04 0.00 0.00 64.34 61.78 3h19 n VAL 36 Cb 0.41 0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 3h19 n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h19 n ALA 37 N -0.96 1.58 -1.97 2.33 0.00 -1.12 -4.94 120.51 115.44 3h19 n ALA 37 Ca 0.12 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.55 3h19 n ALA 37 Cb 0.32 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 3h19 n ALA 37 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3h19 s PHE 38 N 0.16 3.22 0.30 0.00 0.08 -1.26 -5.01 117.98 115.47 3h19 s PHE 38 Ca 0.69 1.23 -0.30 0.00 0.12 0.00 0.00 56.93 58.67 3h19 s PHE 38 Cb -0.61 -3.62 -0.12 0.00 -0.57 0.00 0.00 43.02 38.09 3h19 s PHE 38 CO 0.47 -1.93 1.48 1.17 -0.10 0.00 0.00 175.22 176.31 3h19 n LYS 39 N 2.41 2.41 -2.01 0.44 4.81 -1.26 -4.30 118.16 120.66 3h19 n LYS 39 Ca 0.05 0.85 -0.37 0.00 -0.87 0.00 0.00 58.31 57.98 3h19 n LYS 39 Cb 0.42 -2.56 0.02 0.00 0.02 0.00 0.00 35.03 32.94 3h19 n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3h19 s ALA 40 N -0.35 2.75 0.61 3.14 0.00 -1.26 -4.74 121.76 121.91 3h19 s ALA 40 Ca 0.62 1.09 -0.18 0.00 0.00 0.00 0.00 51.96 53.49 3h19 s ALA 40 Cb -0.55 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.05 3h19 s ALA 40 CO 0.53 -1.08 0.88 0.00 0.00 0.00 0.00 175.76 176.09 3h19 n ALA 41 N -1.11 -0.09 1.77 0.00 0.00 -1.26 -4.87 120.51 114.95 3h19 n ALA 41 Ca 0.11 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.65 3h19 n ALA 41 Cb 0.48 -2.06 0.65 0.00 0.00 0.00 0.00 19.45 18.51 3h19 n ALA 41 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3h19 n ASP 42 N -0.65 0.56 -1.02 0.00 5.75 -1.26 -2.28 116.55 117.65 3h19 n ASP 42 Ca 0.14 -1.35 0.12 0.00 -0.01 0.00 0.00 54.79 53.69 3h19 n ASP 42 Cb 0.48 -0.02 0.19 0.00 -1.03 0.00 0.00 41.12 40.74 3h19 n ASP 42 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3h19 n ASP 43 N -0.49 3.12 -4.66 -1.12 3.85 -1.26 -4.87 116.55 111.12 3h19 n ASP 43 Ca 0.19 -1.97 -0.43 0.00 -0.71 0.00 0.00 54.79 51.87 3h19 n ASP 43 Cb 0.18 -0.13 -0.02 0.00 -1.35 0.00 0.00 41.12 39.80 3h19 n ASP 43 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3h19 s ILE 44 N -1.75 4.48 0.33 2.12 -1.09 -0.97 -3.90 121.20 120.44 3h19 s ILE 44 Ca 0.34 1.79 0.03 0.00 -2.23 0.00 0.00 60.65 60.58 3h19 s ILE 44 Cb 0.21 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 3h19 s ILE 44 CO 0.31 -0.17 0.50 -1.58 -1.23 0.00 0.00 174.94 172.77 3h19 s GLN 45 N 3.36 3.29 -0.14 2.79 0.74 0.70 -4.94 119.66 125.46 3h19 s GLN 45 Ca 0.49 -0.67 -0.12 0.00 0.05 0.00 0.00 55.36 55.10 3h19 s GLN 45 Cb -0.18 -2.75 0.04 0.00 1.10 0.00 0.00 33.01 31.22 3h19 s GLN 45 CO 0.10 0.12 0.37 0.08 -0.55 0.00 0.00 175.29 175.41 3h19 s VAL 46 N -2.23 -0.00 -0.06 1.34 1.01 -1.26 -1.28 120.40 117.92 3h19 s VAL 46 Ca 0.41 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 3h19 s VAL 46 Cb -0.09 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.79 3h19 s VAL 46 CO 0.33 0.00 0.00 -0.70 0.00 0.00 0.00 175.10 174.73 3h19 s GLU 47 N 0.31 0.51 -0.03 2.72 2.12 -0.49 -4.99 118.70 118.85 3h19 s GLU 47 Ca -0.01 0.10 -0.30 0.00 0.36 0.00 0.00 54.97 55.12 3h19 s GLU 47 Cb -0.03 -0.80 -0.03 0.00 0.26 0.00 0.00 34.13 33.52 3h19 s GLU 47 CO -0.01 -0.24 1.08 -0.65 -0.54 0.00 0.00 175.26 174.90 3h19 s GLN 48 N 1.63 4.45 0.15 4.30 -0.21 -1.26 -1.29 119.66 127.44 3h19 s GLN 48 Ca -0.01 1.53 0.05 0.00 0.02 0.00 0.00 55.36 56.96 3h19 s GLN 48 Cb -0.13 -3.48 -0.04 0.00 1.00 0.00 0.00 33.01 30.35 3h19 s GLN 48 CO -0.03 -0.25 -0.11 0.14 -2.12 0.00 0.00 175.29 172.92 3h19 s VAL 49 N 1.56 1.27 -0.10 1.09 -7.23 -0.79 -4.98 120.40 111.22 3h19 s VAL 49 Ca 0.53 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 3h19 s VAL 49 Cb -0.23 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 3h19 s VAL 49 CO 0.24 -0.71 -0.14 0.28 -0.31 0.00 0.00 175.10 174.47 3h19 s THR 50 N -3.21 3.04 -0.08 5.32 -1.32 -1.26 -1.27 115.64 116.85 3h19 s THR 50 Ca 0.17 -0.69 -0.02 0.00 -1.21 0.00 0.00 61.69 59.94 3h19 s THR 50 Cb 0.02 -2.24 0.03 0.00 -1.51 0.00 0.00 72.50 68.80 3h19 s THR 50 CO 0.02 0.55 0.02 -0.69 -2.21 0.00 0.00 174.62 172.31 3h19 s VAL 51 N -0.04 0.28 -1.46 5.08 1.01 -0.29 -4.85 120.40 120.13 3h19 s VAL 51 Ca -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 3h19 s VAL 51 Cb -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3h19 s VAL 51 CO 0.04 0.18 0.24 0.00 0.00 0.00 0.00 175.10 175.55 3h19 n ALA 52 N 5.17 -2.06 -0.86 5.51 0.00 -1.26 -0.86 120.51 126.16 3h19 n ALA 52 Ca -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3h19 n ALA 52 Cb 0.50 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3h19 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h19 n GLY 53 N -2.28 0.64 3.53 0.00 0.00 -1.26 -4.98 105.19 100.83 3h19 n GLY 53 Ca -0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 3h19 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h19 s ALA 55 N -1.29 3.25 0.18 0.00 0.00 -1.26 -1.14 121.76 121.51 3h19 s ALA 55 Ca 0.20 1.37 -0.07 0.00 0.00 0.00 0.00 51.96 53.46 3h19 s ALA 55 Cb -0.10 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 3h19 s ALA 55 CO 0.12 -1.04 0.27 0.00 0.00 0.00 0.00 175.76 175.11 3h19 s ALA 56 N -1.23 0.24 -0.02 0.00 0.00 -0.40 -1.24 121.76 119.12 3h19 s ALA 56 Ca 0.59 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.50 3h19 s ALA 56 Cb -0.41 0.99 0.00 0.00 0.00 0.00 0.00 23.12 23.69 3h19 s ALA 56 CO 0.53 -0.66 -0.09 -1.21 0.00 0.00 0.00 175.76 174.33 3h19 s GLU 57 N -4.02 0.95 0.14 0.00 2.02 -0.99 -1.88 118.70 114.92 3h19 s GLU 57 Ca 0.22 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 54.60 3h19 s GLU 57 Cb 0.04 -0.89 -0.07 0.00 0.10 0.00 0.00 34.13 33.31 3h19 s GLU 57 CO 0.04 0.13 0.98 -1.58 0.02 0.00 0.00 175.26 174.85 3h19 s TRP 58 N 0.12 3.80 -0.25 1.61 0.52 -0.41 0.11 118.94 124.43 3h19 s TRP 58 Ca -0.02 1.78 -0.01 0.00 0.02 0.00 0.00 56.10 57.87 3h19 s TRP 58 Cb -0.08 -3.08 0.08 0.00 -1.15 0.00 0.00 33.47 29.23 3h19 s TRP 58 CO 0.00 0.09 0.05 0.08 0.02 0.00 0.00 176.95 177.19 3h19 s VAL 59 N -0.20 0.87 -0.24 4.03 1.01 -0.12 -1.39 120.40 124.35 3h19 s VAL 59 Ca 0.47 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3h19 s VAL 59 Cb -0.25 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.73 3h19 s VAL 59 CO 0.31 -0.39 -0.13 -0.13 0.00 0.00 0.00 175.10 174.76 3h19 s ARG 60 N 1.67 2.36 0.89 2.72 0.52 -0.41 -0.66 118.95 126.04 3h19 s ARG 60 Ca 0.03 -1.23 -0.12 0.00 -0.52 0.00 0.00 55.73 53.89 3h19 s ARG 60 Cb -0.17 -2.81 0.13 0.00 0.52 0.00 0.00 34.95 32.61 3h19 s ARG 60 CO -0.15 -0.50 1.10 0.00 0.02 0.00 0.00 175.30 175.77 3h19 s ALA 61 N 1.15 1.64 0.65 2.13 0.00 -1.26 -0.21 121.76 125.86 3h19 s ALA 61 Ca -0.06 -0.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.51 3h19 s ALA 61 Cb -0.19 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 3h19 s ALA 61 CO -0.07 -2.27 1.28 -0.35 0.00 0.00 0.00 175.76 174.35 3h19 n PRO 62 N -3.81 1.10 -1.26 0.00 -0.04 -1.25 -3.95 135.00 125.79 3h19 n PRO 62 Ca 0.07 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 3h19 n PRO 62 Cb 0.56 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 3h19 n PRO 62 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h19 n GLY 63 N 0.94 0.57 3.71 0.55 0.00 -1.26 -4.77 105.19 104.93 3h19 n GLY 63 Ca 0.16 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 3h19 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h19 s GLN 65 N 0.79 4.72 0.35 0.00 1.11 0.15 -4.95 119.66 121.82 3h19 s GLN 65 Ca 0.51 1.50 -0.27 0.00 0.01 0.00 0.00 55.36 57.11 3h19 s GLN 65 Cb -0.22 -3.34 -0.09 0.00 -1.01 0.00 0.00 33.01 28.34 3h19 s GLN 65 CO 0.29 0.26 1.14 0.00 0.01 0.00 0.00 175.29 176.98 3h19 s ALA 66 N -0.28 3.27 0.00 6.09 0.00 -1.26 -3.17 121.76 126.42 3h19 s ALA 66 Ca 0.46 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3h19 s ALA 66 Cb -0.25 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3h19 s ALA 66 CO 0.31 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3h19 n GLY 67 N 0.81 1.81 3.91 0.00 0.00 -1.26 -5.03 105.19 105.43 3h19 n GLY 67 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3h19 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h19 s LYS 68 N -0.50 3.49 -0.06 1.61 -0.14 -1.19 -4.65 119.74 118.30 3h19 s LYS 68 Ca 0.00 -0.34 -0.24 0.00 -1.36 0.00 0.00 55.97 54.03 3h19 s LYS 68 Cb 0.00 -2.98 0.05 0.00 -1.68 0.00 0.00 37.83 33.22 3h19 s LYS 68 CO 0.00 0.56 0.54 0.00 -0.76 0.00 0.00 175.35 175.69 3h19 s ALA 69 N -1.56 -1.38 -0.23 5.17 0.00 -0.84 -4.06 121.76 118.85 3h19 s ALA 69 Ca 0.37 1.01 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 3h19 s ALA 69 Cb -0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 3h19 s ALA 69 CO 0.27 -0.32 -0.02 0.42 0.00 0.00 0.00 175.76 176.11 3h19 s ILE 70 N -1.06 3.48 -0.41 0.00 1.01 -0.80 -1.48 121.20 121.94 3h19 s ILE 70 Ca -0.11 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.71 3h19 s ILE 70 Cb -0.02 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.82 3h19 s ILE 70 CO 0.07 0.35 1.45 -0.22 0.00 0.00 0.00 174.94 176.59 3h19 s LEU 71 N 1.48 3.57 -0.28 2.97 2.96 0.33 0.80 118.68 130.51 3h19 s LEU 71 Ca 0.05 0.87 -0.10 0.00 -0.22 0.00 0.00 54.13 54.72 3h19 s LEU 71 Cb -0.15 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3h19 s LEU 71 CO -0.02 -1.47 0.16 -0.47 -1.32 0.00 0.00 176.35 173.24 3h19 s TYR 72 N 5.60 3.19 -0.42 5.38 6.14 -0.52 -1.39 117.35 135.32 3h19 s TYR 72 Ca 0.63 -0.05 -0.11 0.00 0.64 0.00 0.00 57.07 58.19 3h19 s TYR 72 Cb -0.14 -2.35 0.07 0.00 0.42 0.00 0.00 41.96 39.95 3h19 s TYR 72 CO 0.33 -0.23 0.28 -0.51 0.64 0.00 0.00 175.55 176.06 3h19 s LEU 73 N 1.72 5.17 0.63 6.97 1.43 0.41 -3.20 118.68 131.81 3h19 s LEU 73 Ca 0.07 -1.39 -0.16 0.00 -1.03 0.00 0.00 54.13 51.62 3h19 s LEU 73 Cb -0.16 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 3h19 s LEU 73 CO 0.09 -0.53 1.09 -1.38 0.23 0.00 0.00 176.35 175.85 3h19 s HIS 74 N 1.48 2.76 0.97 0.29 -3.43 -1.26 -2.64 115.29 113.46 3h19 s HIS 74 Ca 0.03 1.54 -0.16 0.00 -0.80 0.00 0.00 55.06 55.67 3h19 s HIS 74 Cb -0.23 -3.12 0.22 0.00 -1.43 0.00 0.00 32.58 28.03 3h19 s HIS 74 CO 0.04 -1.47 1.32 0.41 -2.00 0.00 0.00 174.74 173.04 3h19 n GLY 75 N -0.64 -1.40 0.00 -1.38 0.00 -1.00 -3.65 105.19 97.12 3h19 n GLY 75 Ca 0.10 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3h19 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h19 n GLY 76 N -3.71 0.79 2.50 -0.02 0.00 -1.26 -4.27 105.19 99.22 3h19 n GLY 76 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 3h19 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h19 n GLY 77 N 0.00 0.94 2.93 -0.02 0.00 -1.26 -1.67 105.19 106.11 3h19 n GLY 77 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3h19 n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h19 n TYR 78 N -2.50 0.00 0.01 1.61 4.02 -1.26 -4.70 117.16 114.34 3h19 n TYR 78 Ca -0.08 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.82 3h19 n TYR 78 Cb 0.40 -0.90 -0.02 0.00 -0.02 0.00 0.00 39.34 38.80 3h19 n TYR 78 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3h19 n VAL 79 N -2.28 0.00 -3.62 -0.72 0.24 -0.86 -0.35 118.33 110.73 3h19 n VAL 79 Ca 0.00 -0.10 -0.07 0.00 -2.04 0.00 0.00 64.34 62.14 3h19 n VAL 79 Cb 0.14 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 3h19 n VAL 79 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3h19 n MET 80 N -1.54 0.55 0.00 7.34 0.00 -0.67 -4.74 117.12 118.06 3h19 n MET 80 Ca -0.00 -1.42 0.00 0.00 0.00 0.00 0.00 57.70 56.27 3h19 n MET 80 Cb 0.07 1.59 0.00 0.00 0.00 0.00 0.00 33.22 34.87 3h19 n MET 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3h19 n GLY 81 N -0.32 -0.39 3.82 3.17 0.00 -1.26 -4.24 105.19 105.98 3h19 n GLY 81 Ca -0.03 -1.62 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 3h19 n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h19 s SER 82 N -2.00 -0.20 0.32 1.61 1.04 -1.26 -4.97 113.70 108.23 3h19 s SER 82 Ca 0.00 -0.59 0.09 0.00 0.48 0.00 0.00 55.95 55.94 3h19 s SER 82 Cb 0.00 0.65 0.92 0.00 0.10 0.00 0.00 66.02 67.69 3h19 s SER 82 CO 0.00 -1.22 1.67 0.40 0.98 0.00 0.00 173.24 175.07 3h19 h ILE 83 N 2.00 0.34 -0.23 -1.02 2.04 -1.88 -2.90 117.51 115.86 3h19 h ILE 83 Ca -0.22 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 3h19 h ILE 83 Cb 1.24 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3h19 h ILE 83 CO 0.25 0.06 -0.35 -1.13 0.00 0.00 0.00 178.15 176.98 3h19 h ASN 84 N 0.32 0.70 -0.03 1.72 -1.24 -1.98 -0.79 115.58 114.29 3h19 h ASN 84 Ca 0.65 -0.52 0.01 0.00 0.71 0.00 0.00 56.30 57.15 3h19 h ASN 84 Cb 1.40 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 40.25 3h19 h ASN 84 CO -0.60 1.09 0.03 0.71 -1.29 0.00 0.00 177.43 177.36 3h19 h THR 85 N 0.34 0.54 -0.00 -3.57 1.35 -1.85 -3.30 112.91 106.43 3h19 h THR 85 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 3h19 h THR 85 Cb 0.94 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3h19 h THR 85 CO 0.08 0.00 -0.09 1.41 -0.25 0.00 0.00 175.52 176.67 3h19 n HIS 86 N -3.87 0.00 -0.26 4.73 8.25 -1.10 -4.72 115.22 118.25 3h19 n HIS 86 Ca -0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.50 3h19 n HIS 86 Cb 0.12 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.42 3h19 n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3h19 h ARG 87 N 0.13 0.28 0.26 -0.41 2.43 -1.22 -2.48 114.38 113.36 3h19 h ARG 87 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3h19 h ARG 87 Cb 0.07 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3h19 h ARG 87 CO 0.00 0.18 -0.50 1.03 -1.51 0.00 0.00 179.97 179.17 3h19 h SER 88 N 0.28 -1.45 0.31 -3.80 0.87 -1.83 0.52 113.55 108.45 3h19 h SER 88 Ca 0.43 0.14 -0.14 0.00 -1.23 0.00 0.00 61.79 60.99 3h19 h SER 88 Cb 0.75 0.52 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 3h19 h SER 88 CO -0.52 -0.59 -0.57 -0.03 -0.53 0.00 0.00 176.83 174.59 3h19 h MET 89 N -0.83 0.27 -0.23 2.24 1.85 -1.86 -2.29 114.93 114.08 3h19 h MET 89 Ca -0.02 -0.18 -0.20 0.00 -0.61 0.00 0.00 59.70 58.69 3h19 h MET 89 Cb 0.79 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.85 3h19 h MET 89 CO -0.20 0.77 -0.63 0.28 -0.40 0.00 0.00 176.91 176.73 3h19 h VAL 90 N 0.21 1.28 -0.64 -5.77 2.07 -1.40 -1.68 116.25 110.32 3h19 h VAL 90 Ca -0.00 -1.82 0.11 0.00 0.82 0.00 0.00 66.70 65.80 3h19 h VAL 90 Cb 1.07 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 32.55 3h19 h VAL 90 CO 0.09 0.59 0.23 1.23 0.02 0.00 0.00 177.57 179.73 3h19 h GLY 91 N 0.59 0.90 1.97 2.17 0.00 -0.75 0.34 103.07 108.30 3h19 h GLY 91 Ca -0.01 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 3h19 h GLY 91 CO 0.14 -0.04 -0.50 0.83 0.00 0.00 0.00 176.54 176.96 3h19 h GLU 92 N 0.40 0.03 -0.08 4.80 4.39 -1.20 -0.80 114.58 122.11 3h19 h GLU 92 Ca 0.33 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.84 3h19 h GLU 92 Cb 0.44 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3h19 h GLU 92 CO -0.34 0.52 -0.67 0.82 -1.16 0.00 0.00 179.01 178.18 3h19 h ILE 93 N 0.02 1.38 -0.63 3.13 2.04 -0.55 -1.80 117.51 121.10 3h19 h ILE 93 Ca -0.00 -2.07 -0.06 0.00 1.00 0.00 0.00 64.86 63.72 3h19 h ILE 93 Cb 0.89 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 39.00 3h19 h ILE 93 CO 0.07 0.62 0.16 -1.28 0.00 0.00 0.00 178.15 177.72 3h19 h SER 94 N 0.25 0.93 -0.44 1.72 0.87 -0.12 -1.68 113.55 115.08 3h19 h SER 94 Ca -0.02 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 3h19 h SER 94 Cb 1.22 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 3h19 h SER 94 CO 0.11 0.90 0.18 -0.09 -0.53 0.00 0.00 176.83 177.40 3h19 h ARG 95 N 0.95 0.66 -0.05 2.24 2.43 -0.92 -2.29 114.38 117.40 3h19 h ARG 95 Ca 0.20 -0.12 -0.18 0.00 -0.81 0.00 0.00 59.98 59.07 3h19 h ARG 95 Cb 0.33 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3h19 h ARG 95 CO -0.00 0.60 -0.76 0.00 -1.51 0.00 0.00 179.97 178.30 3h19 h ALA 96 N 1.02 0.61 -0.02 2.80 0.00 -1.16 -3.14 119.26 119.37 3h19 h ALA 96 Ca 0.15 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3h19 h ALA 96 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3h19 h ALA 96 CO -0.01 0.80 -0.29 -1.13 0.00 0.00 0.00 179.25 178.62 3h19 n SER 97 N -3.79 1.87 -3.35 0.00 3.41 -0.65 -4.29 113.62 106.83 3h19 n SER 97 Ca -0.04 -1.43 -0.22 0.00 -0.26 0.00 0.00 58.87 56.92 3h19 n SER 97 Cb 0.73 0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.92 3h19 n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h19 n GLN 98 N 0.07 -2.99 -4.56 4.33 6.02 -0.87 -4.74 117.38 114.63 3h19 n GLN 98 Ca 0.12 0.39 -0.22 0.00 -0.01 0.00 0.00 57.00 57.28 3h19 n GLN 98 Cb 0.45 -5.06 -0.15 0.00 1.02 0.00 0.00 30.24 26.51 3h19 n GLN 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h19 s ALA 99 N -2.85 1.18 0.47 -1.58 0.00 -1.18 0.31 121.76 118.11 3h19 s ALA 99 Ca 0.38 -0.67 -0.22 0.00 0.00 0.00 0.00 51.96 51.45 3h19 s ALA 99 Cb -0.21 -0.27 -0.07 0.00 0.00 0.00 0.00 23.12 22.57 3h19 s ALA 99 CO 0.47 0.27 1.12 0.00 0.00 0.00 0.00 175.76 177.62 3h19 s ALA 100 N -0.48 2.93 -0.17 0.00 0.00 -1.26 -4.39 121.76 118.39 3h19 s ALA 100 Ca 0.04 0.83 -0.07 0.00 0.00 0.00 0.00 51.96 52.76 3h19 s ALA 100 Cb -0.06 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 3h19 s ALA 100 CO 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 175.76 175.28 3h19 s ALA 101 N -1.66 3.48 -0.48 0.00 0.00 0.16 -1.90 121.76 121.35 3h19 s ALA 101 Ca 0.65 -0.73 -0.24 0.00 0.00 0.00 0.00 51.96 51.63 3h19 s ALA 101 Cb -0.25 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 20.97 3h19 s ALA 101 CO 0.30 0.25 0.89 -1.17 0.00 0.00 0.00 175.76 176.03 3h19 s LEU 102 N 0.15 4.10 -0.65 0.00 1.98 0.24 -0.95 118.68 123.55 3h19 s LEU 102 Ca 0.05 -0.07 -0.14 0.00 -2.89 0.00 0.00 54.13 51.08 3h19 s LEU 102 Cb -0.12 -3.03 0.16 0.00 0.66 0.00 0.00 46.19 43.86 3h19 s LEU 102 CO 0.00 -1.07 0.58 -0.22 -1.89 0.00 0.00 176.35 173.76 3h19 s LEU 103 N 3.69 6.32 0.24 -0.68 2.96 0.30 -1.43 118.68 130.07 3h19 s LEU 103 Ca 0.33 -2.20 -0.30 0.00 -0.22 0.00 0.00 54.13 51.75 3h19 s LEU 103 Cb -0.11 -2.17 -0.09 0.00 0.50 0.00 0.00 46.19 44.32 3h19 s LEU 103 CO 0.23 -0.71 1.00 -0.22 -1.32 0.00 0.00 176.35 175.33 3h19 s LEU 104 N 0.95 4.60 -0.98 -0.68 1.98 -1.19 -2.35 118.68 121.00 3h19 s LEU 104 Ca 0.10 2.05 -0.03 0.00 -2.89 0.00 0.00 54.13 53.35 3h19 s LEU 104 Cb -0.22 -3.61 0.27 0.00 0.66 0.00 0.00 46.19 43.29 3h19 s LEU 104 CO -0.02 0.03 1.09 -0.67 -1.89 0.00 0.00 176.35 174.88 3h19 n ASP 105 N 1.56 5.20 -4.80 3.68 2.03 -0.37 -4.64 116.55 119.20 3h19 n ASP 105 Ca -0.01 -3.24 -0.29 0.00 0.52 0.00 0.00 54.79 51.77 3h19 n ASP 105 Cb 0.46 -1.16 0.12 0.00 -0.72 0.00 0.00 41.12 39.83 3h19 n ASP 105 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3h19 s TYR 106 N -1.95 2.60 0.11 -0.67 -0.85 -1.26 -4.42 117.35 110.92 3h19 s TYR 106 Ca 0.31 0.88 -0.30 0.00 -0.52 0.00 0.00 57.07 57.44 3h19 s TYR 106 Cb -0.01 -3.37 -0.06 0.00 0.38 0.00 0.00 41.96 38.90 3h19 s TYR 106 CO -0.03 -2.22 1.17 1.03 -1.52 0.00 0.00 175.55 173.98 3h19 s ARG 107 N -5.30 4.48 -0.01 -3.49 0.52 -1.26 -5.02 118.95 108.87 3h19 s ARG 107 Ca 0.63 1.77 -0.05 0.00 -0.52 0.00 0.00 55.73 57.56 3h19 s ARG 107 Cb -0.14 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 3h19 s ARG 107 CO 0.53 -0.15 0.22 -0.51 0.02 0.00 0.00 175.30 175.41 3h19 s LEU 108 N 0.53 4.37 0.67 2.53 1.43 -1.26 -3.79 118.68 123.15 3h19 s LEU 108 Ca 0.55 0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 54.02 3h19 s LEU 108 Cb -0.30 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 3h19 s LEU 108 CO 0.32 0.27 1.05 0.00 0.23 0.00 0.00 176.35 178.22 3h19 s ALA 109 N -1.28 2.86 -1.10 4.21 0.00 0.52 -0.74 121.76 126.22 3h19 s ALA 109 Ca 0.26 -0.05 0.29 0.00 0.00 0.00 0.00 51.96 52.46 3h19 s ALA 109 Cb -0.13 -3.12 1.23 0.00 0.00 0.00 0.00 23.12 21.11 3h19 s ALA 109 CO 0.16 -1.01 1.91 -0.35 0.00 0.00 0.00 175.76 176.46 3h19 n PRO 110 N -2.97 0.11 -0.30 0.00 -0.04 -1.26 -4.17 135.00 126.36 3h19 n PRO 110 Ca 0.07 -0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 3h19 n PRO 110 Cb 0.54 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.66 3h19 n PRO 110 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3h19 h GLU 111 N 0.02 1.17 -3.28 0.54 3.07 -1.93 -3.35 114.58 110.82 3h19 h GLU 111 Ca 0.00 -0.10 -0.63 0.00 -0.50 0.00 0.00 59.36 58.14 3h19 h GLU 111 Cb 0.46 -0.25 -0.40 0.00 -0.84 0.00 0.00 28.75 27.71 3h19 h GLU 111 CO 0.00 0.81 -0.69 -1.01 -1.40 0.00 0.00 179.01 176.72 3h19 s HIS 112 N -5.90 2.60 1.03 4.33 3.76 0.08 -5.05 115.29 116.13 3h19 s HIS 112 Ca -0.12 -2.76 -0.14 0.00 -0.15 0.00 0.00 55.06 51.89 3h19 s HIS 112 Cb 0.17 -2.35 0.20 0.00 1.11 0.00 0.00 32.58 31.72 3h19 s HIS 112 CO 0.81 -0.78 1.13 -2.14 -0.85 0.00 0.00 174.74 172.91 3h19 s PRO 113 N 0.16 0.19 0.21 8.40 0.02 -1.26 -3.18 135.00 139.55 3h19 s PRO 113 Ca 0.17 0.21 -0.30 0.00 0.02 0.00 0.00 61.00 61.09 3h19 s PRO 113 Cb -0.25 -1.74 -0.16 0.00 0.02 0.00 0.00 34.50 32.38 3h19 s PRO 113 CO -0.01 -2.82 0.92 0.34 -0.33 0.00 0.00 177.00 175.10 3h19 n PHE 114 N -4.18 0.75 -0.72 6.54 7.35 0.64 -1.89 117.46 125.95 3h19 n PHE 114 Ca 0.08 0.79 -0.09 0.00 -0.76 0.00 0.00 57.45 57.48 3h19 n PHE 114 Cb 0.59 -2.17 0.23 0.00 0.35 0.00 0.00 39.48 38.47 3h19 n PHE 114 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3h19 n PRO 115 N 1.14 2.94 -0.07 -7.13 -0.04 -1.26 -4.96 135.00 125.62 3h19 n PRO 115 Ca 0.14 -2.52 -0.09 0.00 -0.04 0.00 0.00 63.50 60.99 3h19 n PRO 115 Cb 0.27 -2.04 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 3h19 n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h19 h ALA 116 N 2.22 -0.27 -0.48 0.55 0.00 -1.64 -1.50 119.26 118.13 3h19 h ALA 116 Ca 0.31 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.37 3h19 h ALA 116 Cb 2.20 0.68 -0.10 0.00 0.00 0.00 0.00 17.79 20.57 3h19 h ALA 116 CO 0.70 -0.76 -0.33 0.00 0.00 0.00 0.00 179.25 178.85 3h19 h ALA 117 N 0.61 -0.13 -0.52 0.00 0.00 -1.81 0.61 119.26 118.02 3h19 h ALA 117 Ca 0.14 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.25 3h19 h ALA 117 Cb 0.54 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 3h19 h ALA 117 CO -0.47 -0.71 0.20 0.28 0.00 0.00 0.00 179.25 178.55 3h19 h VAL 118 N -0.22 0.84 -0.69 0.00 2.07 -1.82 -1.18 116.25 115.26 3h19 h VAL 118 Ca 0.20 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.60 3h19 h VAL 118 Cb 0.54 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3h19 h VAL 118 CO -0.60 0.07 0.45 -0.33 0.02 0.00 0.00 177.57 177.18 3h19 h GLU 119 N 0.39 0.87 -0.34 1.57 5.08 -0.73 0.64 114.58 122.06 3h19 h GLU 119 Ca 0.25 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3h19 h GLU 119 Cb 0.25 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3h19 h GLU 119 CO -0.24 0.57 0.21 -0.44 -1.00 0.00 0.00 179.01 178.12 3h19 h ASP 120 N 0.89 0.36 -0.01 1.42 3.32 -0.48 -1.24 116.42 120.68 3h19 h ASP 120 Ca 0.27 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3h19 h ASP 120 Cb -0.04 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3h19 h ASP 120 CO -0.08 0.26 0.00 1.23 -1.72 0.00 0.00 179.24 178.93 3h19 h GLY 121 N 0.44 0.02 0.18 2.75 0.00 -0.72 0.19 103.07 105.93 3h19 h GLY 121 Ca 0.13 -0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.53 3h19 h GLY 121 CO -0.04 0.01 -0.11 -2.08 0.00 0.00 0.00 176.54 174.32 3h19 h VAL 122 N -0.17 0.58 -0.53 4.60 2.07 -0.91 -1.78 116.25 120.10 3h19 h VAL 122 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 3h19 h VAL 122 Cb 0.19 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3h19 h VAL 122 CO -0.00 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.70 3h19 h ALA 123 N 1.37 1.19 -0.54 1.67 0.00 -1.05 -0.51 119.26 121.38 3h19 h ALA 123 Ca 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3h19 h ALA 123 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3h19 h ALA 123 CO -0.42 0.55 0.28 0.00 0.00 0.00 0.00 179.25 179.66 3h19 h ALA 124 N 1.32 1.48 0.07 0.00 0.00 -0.19 -0.04 119.26 121.90 3h19 h ALA 124 Ca 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h19 h ALA 124 Cb 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3h19 h ALA 124 CO 0.00 0.43 -0.03 -0.92 0.00 0.00 0.00 179.25 178.73 3h19 h TYR 125 N 0.75 -0.08 -0.99 0.00 3.20 -0.69 -1.54 116.97 117.62 3h19 h TYR 125 Ca 0.19 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.21 3h19 h TYR 125 Cb 0.04 0.03 -0.15 0.00 1.54 0.00 0.00 36.73 38.19 3h19 h TYR 125 CO 0.00 0.47 -0.41 0.00 -1.64 0.00 0.00 178.16 176.58 3h19 h ARG 126 N -0.73 -0.01 -0.62 1.82 3.08 -1.06 -1.37 114.38 115.49 3h19 h ARG 126 Ca -0.01 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.17 3h19 h ARG 126 Cb 0.59 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.53 3h19 h ARG 126 CO 0.02 -0.00 -0.07 2.35 -1.07 0.00 0.00 179.97 181.19 3h19 h TRP 127 N -0.01 -0.18 -0.26 3.04 7.01 -0.91 -0.02 115.95 124.63 3h19 h TRP 127 Ca 0.32 0.05 0.04 0.00 2.11 0.00 0.00 58.89 61.41 3h19 h TRP 127 Cb 0.58 0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.77 3h19 h TRP 127 CO -0.89 -0.22 0.02 -0.07 -2.79 0.00 0.00 178.44 174.49 3h19 h LEU 128 N 0.06 -0.06 -0.26 0.65 3.38 -0.24 -0.85 115.31 117.98 3h19 h LEU 128 Ca 0.32 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 3h19 h LEU 128 Cb 0.51 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3h19 h LEU 128 CO -0.59 0.00 0.16 -0.07 0.09 0.00 0.00 178.44 178.03 3h19 h LEU 129 N 0.10 0.32 -1.52 1.67 3.38 -0.99 -2.60 115.31 115.68 3h19 h LEU 129 Ca 0.12 -0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.23 3h19 h LEU 129 Cb 0.15 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3h19 h LEU 129 CO -0.19 0.29 0.58 0.44 0.09 0.00 0.00 178.44 179.65 3h19 h ASP 130 N 0.33 0.41 0.81 -0.43 3.45 -0.77 -0.29 116.42 119.93 3h19 h ASP 130 Ca 0.09 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.59 3h19 h ASP 130 Cb 0.03 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 3h19 h ASP 130 CO -0.02 0.17 0.00 0.00 -1.57 0.00 0.00 179.24 177.82 3h19 n GLN 131 N -4.51 0.20 -0.09 3.56 1.13 -0.35 -4.90 117.38 112.43 3h19 n GLN 131 Ca 0.19 0.40 0.00 0.00 -1.94 0.00 0.00 57.00 55.65 3h19 n GLN 131 Cb 0.67 -1.87 0.00 0.00 0.11 0.00 0.00 30.24 29.15 3h19 n GLN 131 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h19 n GLY 132 N 0.14 0.95 3.74 1.08 0.00 -0.12 -5.07 105.19 105.91 3h19 n GLY 132 Ca 0.02 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3h19 n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h19 s PHE 133 N -2.00 3.08 0.22 1.61 0.40 -1.05 -5.01 117.98 115.23 3h19 s PHE 133 Ca 0.00 1.09 -0.23 0.00 -0.60 0.00 0.00 56.93 57.19 3h19 s PHE 133 Cb 0.00 -3.76 -0.08 0.00 0.51 0.00 0.00 43.02 39.69 3h19 s PHE 133 CO 0.00 -2.44 0.79 0.15 0.70 0.00 0.00 175.22 174.42 3h19 s LYS 134 N -0.36 4.44 0.44 0.44 -0.14 -1.26 -4.42 119.74 118.89 3h19 s LYS 134 Ca 0.58 1.07 0.20 0.00 -1.36 0.00 0.00 55.97 56.47 3h19 s LYS 134 Cb -0.40 -3.00 1.16 0.00 -1.68 0.00 0.00 37.83 33.91 3h19 s LYS 134 CO 0.42 0.43 1.87 -1.35 -0.76 0.00 0.00 175.35 175.97 3h19 h PRO 135 N 3.69 0.31 0.00 -1.68 0.11 -1.95 0.84 132.00 133.32 3h19 h PRO 135 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3h19 h PRO 135 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3h19 h PRO 135 CO 0.65 0.21 0.00 0.00 -0.21 0.00 0.00 178.00 178.65 3h19 n GLN 136 N -4.46 0.17 -0.34 1.05 0.00 -1.26 -1.51 117.38 111.03 3h19 n GLN 136 Ca 0.18 0.40 0.11 0.00 0.00 0.00 0.00 57.00 57.69 3h19 n GLN 136 Cb 0.72 -1.83 0.30 0.00 0.00 0.00 0.00 30.24 29.43 3h19 n GLN 136 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3h19 n HIS 137 N -2.15 0.91 -4.29 2.61 8.25 0.29 -4.52 115.22 116.31 3h19 n HIS 137 Ca 0.02 -0.48 -0.30 0.00 -0.26 0.00 0.00 57.72 56.70 3h19 n HIS 137 Cb 0.23 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.23 3h19 n HIS 137 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3h19 s LEU 138 N -1.03 3.07 0.04 2.41 1.43 -0.57 -1.99 118.68 122.05 3h19 s LEU 138 Ca 0.46 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3h19 s LEU 138 Cb 0.24 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 3h19 s LEU 138 CO 0.32 0.20 -0.03 -0.55 0.23 0.00 0.00 176.35 176.52 3h19 s SER 139 N -2.01 0.42 -0.08 2.29 0.15 -0.55 -1.31 113.70 112.61 3h19 s SER 139 Ca 0.20 -0.83 0.01 0.00 0.70 0.00 0.00 55.95 56.03 3h19 s SER 139 Cb -0.11 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.38 3h19 s SER 139 CO 0.12 -0.50 -0.08 -0.63 1.20 0.00 0.00 173.24 173.36 3h19 s ILE 140 N -3.09 0.92 0.09 6.45 1.01 -1.17 -0.52 121.20 124.89 3h19 s ILE 140 Ca -0.01 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.39 3h19 s ILE 140 Cb 0.02 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 3h19 s ILE 140 CO -0.07 0.33 -0.10 -0.55 0.00 0.00 0.00 174.94 174.55 3h19 s SER 141 N 1.20 1.35 0.03 3.58 0.15 -0.49 -0.89 113.70 118.63 3h19 s SER 141 Ca -0.05 -0.77 -0.29 0.00 0.70 0.00 0.00 55.95 55.54 3h19 s SER 141 Cb -0.14 0.01 0.10 0.00 -1.71 0.00 0.00 66.02 64.29 3h19 s SER 141 CO -0.02 -0.25 1.17 -0.83 1.20 0.00 0.00 173.24 174.50 3h19 s GLY 142 N -2.30 -0.35 0.00 9.45 0.00 -1.09 -0.45 107.32 112.59 3h19 s GLY 142 Ca 0.03 0.58 0.06 0.00 0.00 0.00 0.00 44.72 45.39 3h19 s GLY 142 CO -0.00 0.11 -0.20 0.51 0.00 0.00 0.00 173.10 173.53 3h19 s ASP 143 N -2.91 2.32 1.71 1.64 -4.77 -1.08 -0.33 116.67 113.26 3h19 s ASP 143 Ca 0.13 -0.41 0.00 0.00 -3.30 0.00 0.00 52.55 48.97 3h19 s ASP 143 Cb 0.02 -0.23 0.00 0.00 -1.09 0.00 0.00 42.92 41.62 3h19 s ASP 143 CO -0.02 0.21 0.00 -0.24 0.70 0.00 0.00 175.17 175.82 3h19 n SER 144 N 2.35 0.00 -0.34 2.11 2.88 0.02 -0.64 113.62 119.99 3h19 n SER 144 Ca -0.16 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.58 3h19 n SER 144 Cb 0.53 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 64.43 3h19 n SER 144 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h19 h ALA 145 N -0.71 1.96 0.00 -1.46 0.00 -1.85 0.93 119.26 118.13 3h19 h ALA 145 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3h19 h ALA 145 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3h19 h ALA 145 CO 0.00 -0.43 -0.01 0.78 0.00 0.00 0.00 179.25 179.59 3h19 h GLY 146 N 0.50 0.00 1.46 0.00 0.00 -0.95 0.54 103.07 104.62 3h19 h GLY 146 Ca 0.64 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.75 3h19 h GLY 146 CO -0.43 0.00 -0.87 -1.33 0.00 0.00 0.00 176.54 173.91 3h19 h GLY 147 N 2.55 0.56 0.78 4.60 0.00 -0.89 -1.84 103.07 108.83 3h19 h GLY 147 Ca -0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 47.33 46.44 3h19 h GLY 147 CO 0.00 0.79 0.01 -1.33 0.00 0.00 0.00 176.54 176.01 3h19 h GLY 148 N 1.05 0.04 0.36 4.60 0.00 -1.18 -3.17 103.07 104.77 3h19 h GLY 148 Ca -0.07 -0.02 0.18 0.00 0.00 0.00 0.00 47.33 47.42 3h19 h GLY 148 CO 0.16 0.02 0.59 -2.00 0.00 0.00 0.00 176.54 175.31 3h19 h LEU 149 N -0.19 0.54 -0.72 3.11 6.46 -0.86 -0.33 115.31 123.31 3h19 h LEU 149 Ca 0.01 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.89 3h19 h LEU 149 Cb 0.23 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.05 3h19 h LEU 149 CO 0.00 0.23 0.40 0.58 -0.62 0.00 0.00 178.44 179.03 3h19 h VAL 150 N 0.55 0.93 -0.04 1.05 2.07 -1.31 0.23 116.25 119.73 3h19 h VAL 150 Ca 0.47 -0.24 -0.24 0.00 0.82 0.00 0.00 66.70 67.52 3h19 h VAL 150 Cb 0.98 0.16 0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3h19 h VAL 150 CO -0.21 0.13 -0.90 -0.07 0.02 0.00 0.00 177.57 176.53 3h19 h LEU 151 N 0.70 0.86 0.04 2.57 -0.00 -1.18 -1.33 115.31 116.97 3h19 h LEU 151 Ca 0.34 -0.71 -0.00 0.00 -0.00 0.00 0.00 57.88 57.50 3h19 h LEU 151 Cb 0.27 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 3h19 h LEU 151 CO -0.22 1.45 -0.02 0.00 -0.00 0.00 0.00 178.44 179.65 3h19 h ALA 152 N 0.42 -0.06 -0.89 1.53 0.00 -0.73 -2.03 119.26 117.49 3h19 h ALA 152 Ca -0.10 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 54.94 3h19 h ALA 152 Cb 1.56 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.26 3h19 h ALA 152 CO 0.18 -0.48 0.43 0.28 0.00 0.00 0.00 179.25 179.66 3h19 h VAL 153 N -0.17 0.57 0.02 0.00 2.07 -0.51 -1.02 116.25 117.21 3h19 h VAL 153 Ca -0.01 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 3h19 h VAL 153 Cb 0.15 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3h19 h VAL 153 CO 0.01 0.09 -0.01 -0.07 0.02 0.00 0.00 177.57 177.61 3h19 h LEU 154 N 0.50 -0.03 0.75 2.57 3.38 -0.91 -0.78 115.31 120.79 3h19 h LEU 154 Ca 0.53 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 3h19 h LEU 154 Cb 0.93 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 3h19 h LEU 154 CO -0.46 0.16 -0.46 0.58 0.09 0.00 0.00 178.44 178.34 3h19 h VAL 155 N -0.21 0.07 -0.63 1.22 2.07 -1.29 -0.35 116.25 117.13 3h19 h VAL 155 Ca -0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 3h19 h VAL 155 Cb 0.20 0.07 -0.10 0.00 -1.52 0.00 0.00 31.29 29.93 3h19 h VAL 155 CO 0.01 0.00 0.06 -1.28 0.02 0.00 0.00 177.57 176.37 3h19 h SER 156 N -1.14 -0.17 -0.36 0.57 0.87 -1.25 -0.50 113.55 111.57 3h19 h SER 156 Ca -0.10 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3h19 h SER 156 Cb 0.92 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 3h19 h SER 156 CO 0.10 -0.08 0.17 0.00 -0.53 0.00 0.00 176.83 176.49 3h19 h ALA 157 N 1.55 0.46 0.23 6.23 0.00 -1.07 -1.26 119.26 125.40 3h19 h ALA 157 Ca 0.34 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3h19 h ALA 157 Cb 0.54 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3h19 h ALA 157 CO -0.50 0.02 -0.28 -0.09 0.00 0.00 0.00 179.25 178.41 3h19 h ARG 158 N 0.44 -0.54 -0.69 0.00 2.43 -0.72 0.22 114.38 115.52 3h19 h ARG 158 Ca 0.12 0.04 0.20 0.00 -0.81 0.00 0.00 59.98 59.53 3h19 h ARG 158 Cb 0.13 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3h19 h ARG 158 CO -0.01 -0.36 0.55 -0.44 -1.51 0.00 0.00 179.97 178.19 3h19 h ASP 159 N -0.56 0.00 -0.31 -3.80 3.32 -0.98 0.18 116.42 114.27 3h19 h ASP 159 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h19 h ASP 159 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3h19 h ASP 159 CO -0.09 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.43 3h19 n GLN 160 N -4.13 1.85 -1.11 3.56 6.02 -0.49 -4.93 117.38 118.15 3h19 n GLN 160 Ca 0.14 -1.30 -0.04 0.00 -0.01 0.00 0.00 57.00 55.79 3h19 n GLN 160 Cb 0.81 -1.34 -0.02 0.00 1.02 0.00 0.00 30.24 30.71 3h19 n GLN 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h19 n GLY 161 N 1.13 0.67 3.83 1.08 0.00 0.05 -5.05 105.19 106.89 3h19 n GLY 161 Ca 0.14 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 3h19 n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h19 s LEU 162 N -0.87 3.98 0.48 0.99 2.01 0.71 -4.98 118.68 121.00 3h19 s LEU 162 Ca 0.00 1.59 -0.21 0.00 0.01 0.00 0.00 54.13 55.51 3h19 s LEU 162 Cb 0.00 -4.41 -0.07 0.00 0.01 0.00 0.00 46.19 41.72 3h19 s LEU 162 CO 0.00 -0.32 1.12 -2.16 1.01 0.00 0.00 176.35 176.00 3h19 s PRO 163 N -3.11 3.68 0.47 1.29 0.04 -1.26 -4.25 135.00 131.86 3h19 s PRO 163 Ca 0.60 1.61 -0.22 0.00 0.04 0.00 0.00 61.00 63.04 3h19 s PRO 163 Cb -0.09 -2.23 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 3h19 s PRO 163 CO 0.14 -0.58 1.09 -1.64 0.04 0.00 0.00 177.00 176.06 3h19 s MET 164 N -2.96 3.79 0.93 4.56 -1.94 -1.26 -4.95 119.30 117.48 3h19 s MET 164 Ca 0.67 1.55 -0.16 0.00 -1.71 0.00 0.00 55.69 56.04 3h19 s MET 164 Cb -0.24 -2.27 0.22 0.00 2.01 0.00 0.00 34.83 34.55 3h19 s MET 164 CO 0.29 -0.47 1.17 -0.35 -0.01 0.00 0.00 175.02 175.64 3h19 n PRO 165 N -0.69 -1.51 0.23 2.03 -0.04 -1.26 -4.64 135.00 129.12 3h19 n PRO 165 Ca 0.08 -1.82 0.15 0.00 -0.04 0.00 0.00 63.50 61.87 3h19 n PRO 165 Cb 0.50 -1.29 0.48 0.00 -0.04 0.00 0.00 33.50 33.15 3h19 n PRO 165 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h19 h ALA 166 N -1.97 1.00 -2.18 0.55 0.00 -0.87 -3.42 119.26 112.36 3h19 h ALA 166 Ca -0.39 0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.68 3h19 h ALA 166 Cb 1.09 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.75 3h19 h ALA 166 CO 0.27 0.00 0.54 -1.54 0.00 0.00 0.00 179.25 178.52 3h19 s SER 167 N -5.66 -0.26 -0.14 0.00 1.04 -1.25 -4.14 113.70 103.29 3h19 s SER 167 Ca 0.04 -0.14 -0.12 0.00 0.48 0.00 0.00 55.95 56.20 3h19 s SER 167 Cb 0.08 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.62 3h19 s SER 167 CO 0.58 -0.66 0.36 0.00 0.98 0.00 0.00 173.24 174.50 3h19 s ALA 168 N -3.07 -0.90 -0.39 5.32 0.00 -0.66 -3.02 121.76 119.04 3h19 s ALA 168 Ca 0.08 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.09 3h19 s ALA 168 Cb -0.01 -0.61 0.13 0.00 0.00 0.00 0.00 23.12 22.64 3h19 s ALA 168 CO -0.05 -0.17 0.21 0.42 0.00 0.00 0.00 175.76 176.17 3h19 s ILE 169 N 0.24 0.93 -0.03 0.00 1.09 -0.07 -1.54 121.20 121.82 3h19 s ILE 169 Ca -0.00 -2.10 -0.30 0.00 -1.10 0.00 0.00 60.65 57.14 3h19 s ILE 169 Cb -0.03 -1.67 -0.04 0.00 -1.06 0.00 0.00 42.46 39.67 3h19 s ILE 169 CO -0.00 -0.89 1.19 -2.16 -0.10 0.00 0.00 174.94 172.99 3h19 s PRO 170 N 0.78 4.37 -0.29 2.79 0.04 -1.14 -2.66 135.00 138.89 3h19 s PRO 170 Ca 0.16 1.68 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 3h19 s PRO 170 Cb -0.23 -3.52 -0.00 0.00 0.04 0.00 0.00 34.50 30.79 3h19 s PRO 170 CO -0.04 -0.40 0.11 0.42 0.04 0.00 0.00 177.00 177.13 3h19 s ILE 171 N 1.98 4.31 -1.40 0.56 1.01 0.56 -2.10 121.20 126.12 3h19 s ILE 171 Ca 0.56 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 3h19 s ILE 171 Cb -0.25 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.07 3h19 s ILE 171 CO 0.23 0.12 0.77 -1.20 0.00 0.00 0.00 174.94 174.86 3h19 n SER 172 N 4.93 -2.32 -4.74 3.58 7.64 0.13 -0.80 113.62 122.03 3h19 n SER 172 Ca -0.15 -0.82 -0.42 0.00 1.01 0.00 0.00 58.87 58.49 3h19 n SER 172 Cb 0.49 -3.90 -0.02 0.00 -1.01 0.00 0.00 64.21 59.77 3h19 n SER 172 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3h19 s PRO 173 N -6.26 4.14 -0.69 1.43 0.04 -1.26 -2.94 135.00 129.46 3h19 s PRO 173 Ca 0.23 2.56 -0.22 0.00 0.04 0.00 0.00 61.00 63.61 3h19 s PRO 173 Cb -0.12 -3.04 0.08 0.00 0.04 0.00 0.00 34.50 31.46 3h19 s PRO 173 CO 0.83 -0.64 0.99 -0.46 0.04 0.00 0.00 177.00 177.75 3h19 s TRP 174 N 0.27 2.71 -0.20 0.56 -0.00 -0.04 -4.61 118.94 117.63 3h19 s TRP 174 Ca 0.65 -0.63 0.14 0.00 -0.00 0.00 0.00 56.10 56.27 3h19 s TRP 174 Cb -0.48 -4.30 0.43 0.00 -0.00 0.00 0.00 33.47 29.12 3h19 s TRP 174 CO 0.44 -1.64 1.31 0.00 -0.00 0.00 0.00 176.95 177.06 3h19 n ALA 175 N 7.63 3.23 -3.15 5.86 0.00 -1.26 -3.79 120.51 129.03 3h19 n ALA 175 Ca -0.01 -2.81 0.03 0.00 0.00 0.00 0.00 53.44 50.65 3h19 n ALA 175 Cb 0.46 -0.55 -0.00 0.00 0.00 0.00 0.00 19.45 19.36 3h19 n ALA 175 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h19 s ASP 176 N -2.63 -1.41 0.35 0.00 -1.08 -1.26 -1.90 116.67 108.74 3h19 s ASP 176 Ca 0.39 -0.23 0.25 0.00 -0.52 0.00 0.00 52.55 52.44 3h19 s ASP 176 Cb 0.34 1.84 1.26 0.00 -1.46 0.00 0.00 42.92 44.90 3h19 s ASP 176 CO 0.02 -0.21 1.76 0.24 0.52 0.00 0.00 175.17 177.49 3h19 h MET 177 N 7.37 0.00 0.00 4.34 2.86 -1.80 -3.13 114.93 124.57 3h19 h MET 177 Ca 0.01 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3h19 h MET 177 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 3h19 h MET 177 CO 0.09 0.00 -0.40 1.79 1.06 0.00 0.00 176.91 179.46 3h19 h THR 178 N 0.00 0.96 -6.38 2.22 1.35 -1.96 -3.47 112.91 105.63 3h19 h THR 178 Ca 0.00 -1.56 -0.40 0.00 -0.55 0.00 0.00 66.41 63.90 3h19 h THR 178 Cb 0.11 1.93 0.02 0.00 -1.73 0.00 0.00 68.15 68.49 3h19 h THR 178 CO 0.00 0.39 -0.84 0.00 -0.25 0.00 0.00 175.52 174.82 3h19 n THR 180 N -3.26 0.00 -1.92 0.00 -2.24 -1.26 -5.04 114.28 100.57 3h19 n THR 180 Ca -0.17 -0.32 -0.37 0.00 -2.27 0.00 0.00 64.05 60.92 3h19 n THR 180 Cb 0.61 1.18 0.03 0.00 -2.10 0.00 0.00 70.33 70.05 3h19 n THR 180 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3h19 s ASN 181 N -0.33 5.34 0.33 3.42 0.02 -1.26 -4.91 114.94 117.55 3h19 s ASN 181 Ca 0.00 2.59 0.12 0.00 -1.02 0.00 0.00 52.86 54.55 3h19 s ASN 181 Cb 0.00 -2.62 1.00 0.00 0.02 0.00 0.00 41.25 39.65 3h19 s ASN 181 CO 0.00 -1.51 1.68 0.44 0.02 0.00 0.00 177.10 177.73 3h19 h ASP 182 N 1.34 0.52 0.45 -1.22 3.45 -1.98 -2.60 116.42 116.39 3h19 h ASP 182 Ca -0.51 0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.13 3h19 h ASP 182 Cb 1.29 0.12 0.00 0.00 -0.56 0.00 0.00 39.33 40.18 3h19 h ASP 182 CO 0.57 -0.07 0.00 -1.54 -1.57 0.00 0.00 179.24 176.63 3h19 n SER 183 N -5.02 0.61 0.11 6.45 3.41 -1.26 -0.41 113.62 117.50 3h19 n SER 183 Ca 0.30 0.69 -0.01 0.00 -0.26 0.00 0.00 58.87 59.59 3h19 n SER 183 Cb 0.89 -0.81 0.26 0.00 -0.26 0.00 0.00 64.21 64.30 3h19 n SER 183 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3h19 h PHE 184 N 0.00 0.23 0.00 7.33 -1.00 -1.52 -0.38 116.94 121.60 3h19 h PHE 184 Ca 0.00 -0.06 -0.26 0.00 2.81 0.00 0.00 57.97 60.46 3h19 h PHE 184 Cb 0.23 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.69 3h19 h PHE 184 CO 0.00 0.55 -1.54 1.63 -1.61 0.00 0.00 178.31 177.34 3h19 n LYS 185 N -4.06 0.56 -0.27 1.51 5.02 -0.53 -4.14 118.16 116.24 3h19 n LYS 185 Ca -0.01 0.46 0.04 0.00 -2.02 0.00 0.00 58.31 56.78 3h19 n LYS 185 Cb 0.44 -1.65 0.18 0.00 -0.02 0.00 0.00 35.03 33.99 3h19 n LYS 185 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3h19 h THR 186 N -1.00 0.79 -0.58 -0.18 2.02 -0.76 -2.87 112.91 110.33 3h19 h THR 186 Ca -0.40 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3h19 h THR 186 Cb 1.29 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3h19 h THR 186 CO -0.24 0.11 0.00 0.54 0.37 0.00 0.00 175.52 176.30 3h19 n ARG 187 N -4.86 2.89 -0.01 6.66 5.12 -0.15 -4.69 116.66 121.61 3h19 n ARG 187 Ca 0.14 -2.48 -0.11 0.00 -1.93 0.00 0.00 57.85 53.47 3h19 n ARG 187 Cb 0.35 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.10 3h19 n ARG 187 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h19 h ALA 188 N 3.42 0.15 0.55 7.54 0.00 -1.60 -2.41 119.26 126.92 3h19 h ALA 188 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3h19 h ALA 188 Cb 0.96 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.71 3h19 h ALA 188 CO 0.03 -0.35 -0.26 1.49 0.00 0.00 0.00 179.25 180.16 3h19 h GLU 189 N 0.14 -0.71 -1.36 0.00 4.81 -1.84 -3.20 114.58 112.43 3h19 h GLU 189 Ca 0.04 0.05 0.39 0.00 -0.13 0.00 0.00 59.36 59.72 3h19 h GLU 189 Cb 0.01 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 3h19 h GLU 189 CO -0.01 -0.40 1.04 0.00 -0.73 0.00 0.00 179.01 178.91 3h19 h ALA 190 N -0.79 3.27 -1.50 2.92 0.00 -1.89 -3.40 119.26 117.86 3h19 h ALA 190 Ca -0.08 -0.05 -0.58 0.00 0.00 0.00 0.00 54.91 54.21 3h19 h ALA 190 Cb 0.64 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 3h19 h ALA 190 CO 0.12 -1.74 0.83 0.34 0.00 0.00 0.00 179.25 178.81 3h19 s ASP 191 N -4.60 6.18 0.00 0.00 3.68 -0.91 -4.83 116.67 116.19 3h19 s ASP 191 Ca -0.05 -0.64 0.05 0.00 2.13 0.00 0.00 52.55 54.04 3h19 s ASP 191 Cb 0.23 -2.50 0.30 0.00 -1.45 0.00 0.00 42.92 39.50 3h19 s ASP 191 CO 0.78 -1.64 0.97 -0.81 0.13 0.00 0.00 175.17 174.59 3h19 n PRO 192 N 8.60 0.74 -0.01 4.34 -0.04 -1.26 -4.99 135.00 142.39 3h19 n PRO 192 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 3h19 n PRO 192 Cb 0.47 -1.11 -0.01 0.00 -0.04 0.00 0.00 33.50 32.82 3h19 n PRO 192 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 3h19 n MET 193 N -0.61 3.35 0.00 0.54 1.56 -1.26 -4.50 117.12 116.20 3h19 n MET 193 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.47 3h19 n MET 193 Cb 0.02 -1.03 0.00 0.00 2.15 0.00 0.00 33.22 34.35 3h19 n MET 193 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3h19 n GLY 197 N 2.98 0.00 0.24 -5.12 0.00 -1.26 -5.07 105.19 96.96 3h19 n GLY 197 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 3h19 n GLY 197 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h19 h GLY 198 N 0.00 0.89 2.00 -0.02 0.00 -2.01 -3.06 103.07 100.87 3h19 h GLY 198 Ca 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 47.33 46.32 3h19 h GLY 198 CO 0.00 0.86 -0.27 1.19 0.00 0.00 0.00 176.54 178.32 3h19 h ILE 199 N 0.59 0.75 0.00 2.60 2.10 -2.00 -2.95 117.51 118.59 3h19 h ILE 199 Ca 0.04 -1.15 -0.07 0.00 1.08 0.00 0.00 64.86 64.76 3h19 h ILE 199 Cb 0.99 1.72 -0.01 0.00 -1.09 0.00 0.00 36.82 38.43 3h19 h ILE 199 CO 0.09 0.27 -0.35 0.78 -1.08 0.00 0.00 178.15 177.86 3h19 h ASN 200 N 0.00 0.00 0.17 2.19 2.35 -1.96 -2.56 115.58 115.77 3h19 h ASN 200 Ca -0.00 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.45 3h19 h ASN 200 Cb 0.70 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.10 3h19 h ASN 200 CO 0.04 0.35 -1.29 0.50 -1.65 0.00 0.00 177.43 175.38 3h19 h LYS 201 N 0.00 0.57 0.06 0.81 1.63 -1.42 -2.16 116.57 116.07 3h19 h LYS 201 Ca -0.00 -0.84 0.03 0.00 -0.85 0.00 0.00 60.65 58.98 3h19 h LYS 201 Cb 0.82 0.29 -0.05 0.00 -0.60 0.00 0.00 32.23 32.70 3h19 h LYS 201 CO 0.05 1.39 -0.36 0.52 -3.45 0.00 0.00 179.45 177.60 3h19 h MET 202 N 0.17 -0.53 -0.72 1.90 2.86 -1.53 0.66 114.93 117.74 3h19 h MET 202 Ca -0.21 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.55 3h19 h MET 202 Cb 1.98 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 33.69 3h19 h MET 202 CO 0.24 -0.35 0.38 0.00 1.06 0.00 0.00 176.91 178.24 3h19 h ALA 203 N 0.08 1.00 0.10 6.32 0.00 -1.46 0.62 119.26 125.91 3h19 h ALA 203 Ca 0.04 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h19 h ALA 203 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3h19 h ALA 203 CO -0.24 0.01 -0.05 0.00 0.00 0.00 0.00 179.25 178.97 3h19 h ALA 204 N 1.41 -0.14 -0.79 0.00 0.00 -1.09 0.99 119.26 119.65 3h19 h ALA 204 Ca 0.35 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3h19 h ALA 204 Cb 0.31 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3h19 h ALA 204 CO -0.24 -0.49 0.52 0.00 0.00 0.00 0.00 179.25 179.03 3h19 h ARG 205 N -0.30 0.83 -0.02 0.00 3.08 0.68 -2.30 114.38 116.35 3h19 h ARG 205 Ca -0.01 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 3h19 h ARG 205 Cb 0.25 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.12 3h19 h ARG 205 CO 0.02 0.55 -0.38 -0.92 -1.07 0.00 0.00 179.97 178.18 3h19 h TYR 206 N 0.86 0.41 -0.16 3.04 3.20 -0.57 -3.36 116.97 120.39 3h19 h TYR 206 Ca 0.34 -0.21 -0.22 0.00 3.14 0.00 0.00 58.73 61.77 3h19 h TYR 206 Cb 0.23 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 38.46 3h19 h TYR 206 CO -0.00 1.00 -0.76 -0.07 -1.64 0.00 0.00 178.16 176.69 3h19 h LEU 207 N -0.29 0.96 -1.50 2.82 3.38 -0.80 0.18 115.31 120.06 3h19 h LEU 207 Ca -0.04 -0.62 -0.41 0.00 0.09 0.00 0.00 57.88 56.89 3h19 h LEU 207 Cb 1.09 -0.28 0.07 0.00 0.09 0.00 0.00 40.66 41.63 3h19 h LEU 207 CO 0.08 1.42 -0.79 -3.20 0.09 0.00 0.00 178.44 176.04 3h19 n ASN 208 N -3.94 -2.60 0.00 -0.43 5.15 -0.87 -1.43 115.26 111.14 3h19 n ASN 208 Ca -0.07 -0.75 0.00 0.00 -0.60 0.00 0.00 54.58 53.16 3h19 n ASN 208 Cb 0.74 -4.32 0.00 0.00 -0.53 0.00 0.00 39.78 35.67 3h19 n ASN 208 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h19 n GLY 209 N -1.56 2.26 3.54 8.20 0.00 -1.26 -5.05 105.19 111.32 3h19 n GLY 209 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 3h19 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h19 n ALA 210 N 0.30 -0.55 -1.68 4.61 0.00 -0.51 -4.93 120.51 117.76 3h19 n ALA 210 Ca 0.00 -0.05 -0.48 0.00 0.00 0.00 0.00 53.44 52.92 3h19 n ALA 210 Cb 0.00 -1.97 -0.05 0.00 0.00 0.00 0.00 19.45 17.43 3h19 n ALA 210 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3h19 n ASP 211 N -0.32 3.45 0.02 0.00 -0.08 -1.26 -4.88 116.55 113.48 3h19 n ASP 211 Ca 0.13 0.98 0.06 0.00 -1.51 0.00 0.00 54.79 54.45 3h19 n ASP 211 Cb 0.48 -1.39 0.27 0.00 2.34 0.00 0.00 41.12 42.82 3h19 n ASP 211 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3h19 n ALA 212 N 6.21 1.51 -0.58 -1.67 0.00 -1.26 -1.85 120.51 122.86 3h19 n ALA 212 Ca 0.22 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.72 3h19 n ALA 212 Cb 0.30 -1.20 0.27 0.00 0.00 0.00 0.00 19.45 18.82 3h19 n ALA 212 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h19 n LYS 213 N -1.59 3.27 -1.72 0.00 5.02 -1.26 -4.12 118.16 117.76 3h19 n LYS 213 Ca 0.03 -2.63 -0.42 0.00 -2.02 0.00 0.00 58.31 53.27 3h19 n LYS 213 Cb 0.14 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 3h19 n LYS 213 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3h19 s HIS 214 N -1.84 2.43 0.58 2.13 2.46 -0.77 -4.83 115.29 115.45 3h19 s HIS 214 Ca 0.41 0.11 0.28 0.00 0.47 0.00 0.00 55.06 56.32 3h19 s HIS 214 Cb 0.27 -4.17 1.56 0.00 -0.13 0.00 0.00 32.58 30.11 3h19 s HIS 214 CO 0.18 -4.68 2.03 -1.35 -2.47 0.00 0.00 174.74 168.46 3h19 h PRO 215 N 7.91 0.00 0.00 2.88 0.11 -1.89 0.57 132.00 141.59 3h19 h PRO 215 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h19 h PRO 215 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3h19 h PRO 215 CO 0.95 0.00 -1.05 0.66 -0.21 0.00 0.00 178.00 178.35 3h19 n TYR 216 N -3.87 0.30 -0.06 0.65 0.53 -1.26 -2.79 117.16 110.65 3h19 n TYR 216 Ca 0.04 0.09 -0.22 0.00 -1.02 0.00 0.00 57.90 56.79 3h19 n TYR 216 Cb 0.45 -0.47 -0.13 0.00 -1.03 0.00 0.00 39.34 38.17 3h19 n TYR 216 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3h19 n ALA 217 N -1.86 1.00 -3.61 -0.72 0.00 -0.54 -4.69 120.51 110.10 3h19 n ALA 217 Ca 0.02 -0.72 -0.27 0.00 0.00 0.00 0.00 53.44 52.46 3h19 n ALA 217 Cb 0.45 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3h19 n ALA 217 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3h19 n SER 218 N -3.76 2.20 0.09 0.00 7.64 0.19 -4.55 113.62 115.42 3h19 n SER 218 Ca -0.37 -3.05 0.06 0.00 1.01 0.00 0.00 58.87 56.52 3h19 n SER 218 Cb 0.93 -0.68 0.31 0.00 -1.01 0.00 0.00 64.21 63.76 3h19 n SER 218 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3h19 n PRO 219 N 1.80 0.07 0.07 1.43 -0.02 -1.12 -1.73 135.00 135.51 3h19 n PRO 219 Ca 0.25 0.57 0.08 0.00 -2.02 0.00 0.00 63.50 62.38 3h19 n PRO 219 Cb 0.41 -1.74 0.38 0.00 -0.02 0.00 0.00 33.50 32.52 3h19 n PRO 219 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3h19 n ASN 220 N -1.90 0.34 -0.53 2.55 4.13 -0.80 -2.25 115.26 116.82 3h19 n ASN 220 Ca -0.01 0.60 0.09 0.00 1.68 0.00 0.00 54.58 56.95 3h19 n ASN 220 Cb 0.02 -0.67 0.02 0.00 -1.54 0.00 0.00 39.78 37.61 3h19 n ASN 220 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3h19 n PHE 221 N -1.90 0.00 -2.84 3.10 3.01 -0.70 -4.95 117.46 113.18 3h19 n PHE 221 Ca 0.02 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.20 3h19 n PHE 221 Cb 0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.61 3h19 n PHE 221 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h19 s ALA 222 N -2.02 3.45 -0.36 4.37 0.00 -0.95 -4.84 121.76 121.40 3h19 s ALA 222 Ca 0.18 -0.49 -0.27 0.00 0.00 0.00 0.00 51.96 51.38 3h19 s ALA 222 Cb 0.16 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.76 3h19 s ALA 222 CO 0.42 -0.18 0.96 1.21 0.00 0.00 0.00 175.76 178.17 3h19 s ASN 223 N -3.80 6.74 0.00 0.00 3.04 -1.26 -4.89 114.94 114.76 3h19 s ASN 223 Ca 0.47 0.70 0.21 0.00 0.04 0.00 0.00 52.86 54.27 3h19 s ASN 223 Cb -0.10 -2.48 0.57 0.00 -1.54 0.00 0.00 41.25 37.69 3h19 s ASN 223 CO 0.40 -0.87 1.46 0.18 -3.04 0.00 0.00 177.10 175.22 3h19 n LEU 224 N 6.82 2.49 -4.67 3.21 4.77 -1.26 -4.94 117.00 123.42 3h19 n LEU 224 Ca 0.08 -1.10 -0.45 0.00 -0.03 0.00 0.00 56.01 54.51 3h19 n LEU 224 Cb 0.48 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 3h19 n LEU 224 CO 0.59 0.55 1.54 1.17 -1.33 0.00 0.00 177.39 179.91 3h19 n LYS 225 N 0.86 2.52 -0.06 3.23 4.81 -1.26 -2.42 118.16 125.84 3h19 n LYS 225 Ca 0.17 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.54 3h19 n LYS 225 Cb 0.45 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.67 3h19 n LYS 225 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h19 n GLY 226 N 4.46 0.54 3.78 3.14 0.00 -1.26 -5.09 105.19 110.76 3h19 n GLY 226 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3h19 n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h19 s LEU 227 N 0.00 3.64 0.96 0.99 1.43 -1.02 -4.89 118.68 119.80 3h19 s LEU 227 Ca 0.00 2.07 -0.16 0.00 -1.03 0.00 0.00 54.13 55.01 3h19 s LEU 227 Cb 0.00 -4.57 0.19 0.00 0.03 0.00 0.00 46.19 41.85 3h19 s LEU 227 CO 0.00 -1.28 1.29 -2.16 0.23 0.00 0.00 176.35 174.44 3h19 s PRO 228 N -3.56 0.67 0.41 1.29 0.04 -1.26 -4.68 135.00 127.90 3h19 s PRO 228 Ca 0.70 -0.33 -0.27 0.00 0.04 0.00 0.00 61.00 61.14 3h19 s PRO 228 Cb -0.21 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 3h19 s PRO 228 CO 0.31 -2.41 1.40 -2.14 0.04 0.00 0.00 177.00 174.21 3h19 s PRO 229 N -5.82 3.95 -0.12 0.56 0.02 -1.26 -4.68 135.00 127.64 3h19 s PRO 229 Ca 0.72 2.38 -0.02 0.00 0.02 0.00 0.00 61.00 64.11 3h19 s PRO 229 Cb -0.05 -2.82 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 3h19 s PRO 229 CO 0.53 -0.59 -0.06 -0.51 -0.33 0.00 0.00 177.00 176.04 3h19 s LEU 230 N -2.37 3.17 -0.25 -5.54 1.02 0.63 -1.65 118.68 113.69 3h19 s LEU 230 Ca 0.56 -0.11 -0.05 0.00 0.02 0.00 0.00 54.13 54.55 3h19 s LEU 230 Cb -0.43 -1.73 -0.00 0.00 0.02 0.00 0.00 46.19 44.04 3h19 s LEU 230 CO 0.56 0.23 0.01 -0.22 0.02 0.00 0.00 176.35 176.95 3h19 s LEU 231 N -0.04 3.25 -0.24 1.79 0.20 -0.59 -0.86 118.68 122.19 3h19 s LEU 231 Ca 0.00 -0.48 -0.08 0.00 0.69 0.00 0.00 54.13 54.26 3h19 s LEU 231 Cb -0.13 -1.80 -0.03 0.00 -0.43 0.00 0.00 46.19 43.80 3h19 s LEU 231 CO 0.03 -0.07 0.08 -0.63 -0.29 0.00 0.00 176.35 175.46 3h19 s ILE 232 N 1.49 4.47 -0.12 6.68 1.01 0.02 -2.89 121.20 131.86 3h19 s ILE 232 Ca 0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.50 3h19 s ILE 232 Cb -0.15 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 3h19 s ILE 232 CO -0.01 0.35 0.14 -1.00 0.00 0.00 0.00 174.94 174.42 3h19 s HIS 233 N 1.46 3.60 0.12 3.97 3.76 -0.89 -1.00 115.29 126.30 3h19 s HIS 233 Ca 0.06 0.53 -0.18 0.00 -0.15 0.00 0.00 55.06 55.32 3h19 s HIS 233 Cb -0.15 -1.95 0.04 0.00 1.11 0.00 0.00 32.58 31.63 3h19 s HIS 233 CO 0.04 0.73 0.45 0.54 -0.85 0.00 0.00 174.74 175.65 3h19 s VAL 234 N -0.99 0.05 -0.06 -0.90 0.11 -1.06 0.22 120.40 117.77 3h19 s VAL 234 Ca 0.15 -0.43 -0.04 0.00 -2.93 0.00 0.00 61.98 58.73 3h19 s VAL 234 Cb -0.12 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 3h19 s VAL 234 CO 0.04 -0.24 0.13 -0.83 -3.33 0.00 0.00 175.10 170.87 3h19 s GLY 235 N -2.64 2.11 0.51 6.54 0.00 -1.26 -2.17 107.32 110.42 3h19 s GLY 235 Ca 0.01 -0.73 0.24 0.00 0.00 0.00 0.00 44.72 44.24 3h19 s GLY 235 CO -0.10 -0.54 1.97 -0.09 0.00 0.00 0.00 173.10 174.34 3h19 h ARG 236 N 4.48 0.06 -1.88 2.90 2.43 -1.16 -3.23 114.38 117.98 3h19 h ARG 236 Ca -0.52 -0.00 -0.72 0.00 -0.81 0.00 0.00 59.98 57.93 3h19 h ARG 236 Cb 1.21 -0.01 -0.31 0.00 -0.42 0.00 0.00 29.97 30.43 3h19 h ARG 236 CO 0.62 0.04 0.60 -0.25 -1.51 0.00 0.00 179.97 179.47 3h19 n ASP 237 N -4.38 6.80 -3.97 -3.80 8.00 -0.74 -4.93 116.55 113.52 3h19 n ASP 237 Ca 0.11 -3.81 -0.09 0.00 0.71 0.00 0.00 54.79 51.71 3h19 n ASP 237 Cb 0.64 -0.91 -0.11 0.00 -0.02 0.00 0.00 41.12 40.71 3h19 n ASP 237 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3h19 s GLU 238 N -3.94 0.29 0.44 -1.24 -1.05 -1.22 -3.56 118.70 108.42 3h19 s GLU 238 Ca 0.51 -0.56 0.18 0.00 -0.15 0.00 0.00 54.97 54.94 3h19 s GLU 238 Cb 0.43 0.09 1.03 0.00 -0.44 0.00 0.00 34.13 35.24 3h19 s GLU 238 CO -0.36 -0.04 1.95 0.28 0.95 0.00 0.00 175.26 178.04 3h19 h VAL 239 N 4.69 0.98 -0.20 1.83 2.07 -1.77 -2.68 116.25 121.16 3h19 h VAL 239 Ca -0.31 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.35 3h19 h VAL 239 Cb 1.21 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3h19 h VAL 239 CO 0.42 0.23 0.00 0.18 0.02 0.00 0.00 177.57 178.42 3h19 n LEU 240 N -3.99 1.76 0.04 2.57 4.77 -1.26 -3.61 117.00 117.28 3h19 n LEU 240 Ca -0.02 -0.89 -0.13 0.00 -0.03 0.00 0.00 56.01 54.95 3h19 n LEU 240 Cb 0.31 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 3h19 n LEU 240 CO 0.35 0.33 0.59 0.25 -1.33 0.00 0.00 177.39 177.58 3h19 h LEU 241 N 1.25 -1.24 -0.94 2.23 6.46 -1.73 -2.66 115.31 118.67 3h19 h LEU 241 Ca 0.00 0.16 0.27 0.00 -0.12 0.00 0.00 57.88 58.19 3h19 h LEU 241 Cb 0.60 0.49 -0.14 0.00 -0.73 0.00 0.00 40.66 40.88 3h19 h LEU 241 CO 0.07 -0.44 0.38 0.44 -0.62 0.00 0.00 178.44 178.28 3h19 h ASP 242 N -0.53 0.23 -0.84 1.25 5.19 -1.86 -0.89 116.42 118.97 3h19 h ASP 242 Ca 0.06 0.19 0.10 0.00 -0.62 0.00 0.00 57.03 56.76 3h19 h ASP 242 Cb 0.63 0.21 -0.07 0.00 0.18 0.00 0.00 39.33 40.27 3h19 h ASP 242 CO -0.34 -0.14 0.48 0.44 -3.12 0.00 0.00 179.24 176.56 3h19 h ASP 243 N 0.27 0.68 0.02 6.45 3.45 -1.79 0.18 116.42 125.68 3h19 h ASP 243 Ca 0.63 0.05 -0.23 0.00 0.43 0.00 0.00 57.03 57.91 3h19 h ASP 243 Cb 1.35 -0.08 0.02 0.00 -0.56 0.00 0.00 39.33 40.06 3h19 h ASP 243 CO -0.63 0.38 -0.90 0.28 -1.57 0.00 0.00 179.24 176.80 3h19 h SER 244 N 0.80 0.76 -0.89 6.45 0.02 -1.17 -0.32 113.55 119.19 3h19 h SER 244 Ca 0.41 -0.76 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 3h19 h SER 244 Cb 0.39 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 3h19 h SER 244 CO -0.25 1.43 0.49 0.40 -1.14 0.00 0.00 176.83 177.75 3h19 h ILE 245 N 0.17 1.26 -0.20 3.27 2.04 -0.81 -2.07 117.51 121.17 3h19 h ILE 245 Ca -0.12 -0.64 -0.20 0.00 1.00 0.00 0.00 64.86 64.91 3h19 h ILE 245 Cb 1.59 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3h19 h ILE 245 CO 0.18 0.29 -0.66 0.11 0.00 0.00 0.00 178.15 178.07 3h19 h LYS 246 N 1.24 0.75 -0.58 2.37 1.57 -0.68 -2.90 116.57 118.34 3h19 h LYS 246 Ca 0.31 -0.54 0.08 0.00 -1.87 0.00 0.00 60.65 58.64 3h19 h LYS 246 Cb 0.03 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 3h19 h LYS 246 CO -0.05 1.16 0.22 1.25 -0.57 0.00 0.00 179.45 181.46 3h19 h LEU 247 N 0.54 0.23 0.03 2.94 5.85 -0.80 -0.00 115.31 124.10 3h19 h LEU 247 Ca -0.02 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3h19 h LEU 247 Cb 1.26 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 3h19 h LEU 247 CO 0.13 0.15 -0.04 -0.78 -0.34 0.00 0.00 178.44 177.56 3h19 h ASP 248 N 0.41 -0.10 -0.33 1.25 3.58 -1.37 0.17 116.42 120.03 3h19 h ASP 248 Ca 0.29 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.73 3h19 h ASP 248 Cb 0.33 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 3h19 h ASP 248 CO -0.28 -0.06 0.11 0.00 -2.88 0.00 0.00 179.24 176.13 3h19 h ALA 249 N 0.89 0.43 0.11 -0.78 0.00 -1.28 0.37 119.26 119.01 3h19 h ALA 249 Ca 0.01 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3h19 h ALA 249 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3h19 h ALA 249 CO -0.02 0.06 -0.26 -0.22 0.00 0.00 0.00 179.25 178.81 3h19 h LYS 250 N 0.38 -0.44 -0.56 0.00 1.63 -0.88 -0.05 116.57 116.65 3h19 h LYS 250 Ca 0.11 0.03 0.11 0.00 -0.85 0.00 0.00 60.65 60.05 3h19 h LYS 250 Cb 0.23 0.10 -0.11 0.00 -0.60 0.00 0.00 32.23 31.85 3h19 h LYS 250 CO -0.00 -0.29 -0.19 0.00 -3.45 0.00 0.00 179.45 175.51 3h19 h ALA 251 N 0.29 0.27 0.01 5.00 0.00 -0.51 0.40 119.26 124.72 3h19 h ALA 251 Ca 0.03 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3h19 h ALA 251 Cb 0.49 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3h19 h ALA 251 CO -0.15 -0.49 -0.03 0.87 0.00 0.00 0.00 179.25 179.45 3h19 h LYS 252 N -0.05 -0.06 -0.87 0.00 1.57 -0.71 0.42 116.57 116.86 3h19 h LYS 252 Ca 0.26 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.14 3h19 h LYS 252 Cb 0.46 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 3h19 h LYS 252 CO -0.60 -0.04 0.52 0.00 -0.57 0.00 0.00 179.45 178.76 3h19 h ALA 253 N 0.93 1.25 -0.00 3.86 0.00 -0.75 -2.70 119.26 121.85 3h19 h ALA 253 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h19 h ALA 253 Cb 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3h19 h ALA 253 CO -0.03 0.17 -0.04 -0.25 0.00 0.00 0.00 179.25 179.11 3h19 n ASP 254 N -4.68 0.45 0.00 0.00 9.92 0.14 -4.85 116.55 117.52 3h19 n ASP 254 Ca 0.14 -0.85 0.00 0.00 -0.53 0.00 0.00 54.79 53.56 3h19 n ASP 254 Cb 0.27 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 3h19 n ASP 254 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3h19 n GLY 255 N 1.16 0.76 3.74 0.44 0.00 -0.28 -4.20 105.19 106.82 3h19 n GLY 255 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3h19 n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h19 s VAL 256 N -2.00 4.33 -0.82 1.61 1.01 0.13 -4.90 120.40 119.76 3h19 s VAL 256 Ca 0.00 2.02 -0.25 0.00 0.00 0.00 0.00 61.98 63.75 3h19 s VAL 256 Cb 0.00 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3h19 s VAL 256 CO 0.00 0.41 1.92 -0.75 0.00 0.00 0.00 175.10 176.68 3h19 s LYS 257 N -0.56 2.58 -0.12 2.72 2.47 -1.26 -3.89 119.74 121.67 3h19 s LYS 257 Ca 0.43 -0.04 -0.05 0.00 -1.56 0.00 0.00 55.97 54.75 3h19 s LYS 257 Cb -0.24 -4.87 -0.04 0.00 -1.46 0.00 0.00 37.83 31.22 3h19 s LYS 257 CO 0.30 -3.19 0.07 0.45 0.16 0.00 0.00 175.35 173.14 3h19 s SER 258 N 8.05 5.82 -0.23 1.43 0.15 -1.26 -0.27 113.70 127.39 3h19 s SER 258 Ca 0.69 0.27 0.02 0.00 0.70 0.00 0.00 55.95 57.63 3h19 s SER 258 Cb -0.08 -1.84 0.05 0.00 -1.71 0.00 0.00 66.02 62.44 3h19 s SER 258 CO 0.05 0.34 -0.11 -0.89 1.20 0.00 0.00 173.24 173.84 3h19 s THR 259 N -0.65 1.87 -0.15 6.45 2.01 -0.04 -4.95 115.64 120.17 3h19 s THR 259 Ca 0.12 -1.28 -0.14 0.00 0.31 0.00 0.00 61.69 60.70 3h19 s THR 259 Cb -0.12 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 3h19 s THR 259 CO 0.02 0.08 0.29 -0.22 -0.69 0.00 0.00 174.62 174.11 3h19 s LEU 260 N 1.27 4.26 -0.25 4.42 0.20 -1.26 -0.80 118.68 126.52 3h19 s LEU 260 Ca -0.04 0.52 0.02 0.00 0.69 0.00 0.00 54.13 55.32 3h19 s LEU 260 Cb -0.18 -2.37 0.06 0.00 -0.43 0.00 0.00 46.19 43.27 3h19 s LEU 260 CO -0.07 0.12 -0.09 -1.61 -0.29 0.00 0.00 176.35 174.41 3h19 s GLU 261 N 0.36 2.01 -0.43 1.98 2.02 -0.17 -4.96 118.70 119.50 3h19 s GLU 261 Ca 0.17 -1.21 -0.22 0.00 0.02 0.00 0.00 54.97 53.72 3h19 s GLU 261 Cb -0.13 -2.78 0.02 0.00 0.10 0.00 0.00 34.13 31.35 3h19 s GLU 261 CO 0.04 -0.58 0.75 0.42 0.02 0.00 0.00 175.26 175.91 3h19 s ILE 262 N 1.21 4.71 -0.12 -1.63 1.01 -1.26 -2.55 121.20 122.57 3h19 s ILE 262 Ca -0.08 0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.75 3h19 s ILE 262 Cb -0.20 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 3h19 s ILE 262 CO -0.05 -0.64 0.77 0.26 0.00 0.00 0.00 174.94 175.28 3h19 s TRP 263 N 3.15 3.49 0.53 3.97 0.52 -0.92 -4.81 118.94 124.87 3h19 s TRP 263 Ca 0.28 1.25 -0.21 0.00 0.02 0.00 0.00 56.10 57.45 3h19 s TRP 263 Cb -0.13 -2.92 -0.06 0.00 -1.15 0.00 0.00 33.47 29.22 3h19 s TRP 263 CO 0.21 -0.09 1.19 -0.51 0.02 0.00 0.00 176.95 177.76 3h19 s ASP 264 N 1.02 5.67 0.00 2.95 -0.00 -1.26 -1.09 116.67 123.96 3h19 s ASP 264 Ca 0.38 2.34 0.00 0.00 -0.00 0.00 0.00 52.55 55.27 3h19 s ASP 264 Cb -0.17 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.15 3h19 s ASP 264 CO 0.16 -1.26 0.00 0.47 -0.00 0.00 0.00 175.17 174.54 3h19 n ASP 265 N -1.09 0.00 -4.92 0.27 10.43 -1.26 -4.82 116.55 115.16 3h19 n ASP 265 Ca 0.11 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 57.20 3h19 n ASP 265 Cb 0.49 -1.34 -0.03 0.00 1.84 0.00 0.00 41.12 42.08 3h19 n ASP 265 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 3h19 s MET 266 N -0.52 3.56 0.47 -1.24 -1.94 -1.19 -4.80 119.30 113.64 3h19 s MET 266 Ca 0.00 -0.20 0.07 0.00 -1.71 0.00 0.00 55.69 53.85 3h19 s MET 266 Cb 0.00 -2.72 -0.00 0.00 2.01 0.00 0.00 34.83 34.12 3h19 s MET 266 CO 0.00 0.26 0.37 0.96 -0.01 0.00 0.00 175.02 176.61 3h19 s ILE 267 N -2.07 2.24 -0.22 2.53 -4.36 -1.26 -1.80 121.20 116.26 3h19 s ILE 267 Ca 0.41 -1.43 -0.39 0.00 -0.26 0.00 0.00 60.65 58.98 3h19 s ILE 267 Cb -0.10 -2.67 -0.15 0.00 1.25 0.00 0.00 42.46 40.78 3h19 s ILE 267 CO 0.31 0.00 1.74 1.57 0.24 0.00 0.00 174.94 178.80 3h19 n HIS 268 N -1.60 2.06 -3.86 1.37 -0.00 -1.26 -2.75 115.22 109.17 3h19 n HIS 268 Ca 0.02 0.46 -0.32 0.00 -0.00 0.00 0.00 57.72 57.88 3h19 n HIS 268 Cb 0.63 -2.48 0.01 0.00 -0.00 0.00 0.00 29.99 28.15 3h19 n HIS 268 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3h19 n VAL 269 N 4.51 -4.22 0.28 3.57 0.31 -1.26 -4.81 118.33 116.71 3h19 n VAL 269 Ca 0.25 -0.73 0.15 0.00 -0.01 0.00 0.00 64.34 64.00 3h19 n VAL 269 Cb 0.16 -3.31 0.46 0.00 -0.91 0.00 0.00 33.84 30.24 3h19 n VAL 269 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 3h19 h TRP 270 N -1.99 0.00 -1.34 3.52 0.09 -1.93 -1.80 115.95 112.50 3h19 h TRP 270 Ca -0.66 0.00 0.40 0.00 0.09 0.00 0.00 58.89 58.72 3h19 h TRP 270 Cb 1.37 0.00 -0.09 0.00 0.08 0.00 0.00 29.16 30.52 3h19 h TRP 270 CO 0.40 0.00 0.92 0.45 0.09 0.00 0.00 178.44 180.30 3h19 h HIS 271 N 0.00 0.31 0.00 0.12 -0.00 -1.88 -2.02 115.15 111.69 3h19 h HIS 271 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3h19 h HIS 271 Cb 0.70 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.03 3h19 h HIS 271 CO 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 177.93 177.87 3h19 n ALA 272 N -2.65 2.08 -1.04 2.45 0.00 -0.68 -1.66 120.51 119.01 3h19 n ALA 272 Ca 0.33 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.76 3h19 n ALA 272 Cb 1.37 -1.39 0.28 0.00 0.00 0.00 0.00 19.45 19.70 3h19 n ALA 272 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h19 n PHE 273 N -1.61 1.23 0.14 0.00 3.01 -0.76 -4.67 117.46 114.80 3h19 n PHE 273 Ca 0.06 -0.97 0.19 0.00 1.01 0.00 0.00 57.45 57.74 3h19 n PHE 273 Cb 0.29 -0.39 0.75 0.00 -0.01 0.00 0.00 39.48 40.12 3h19 n PHE 273 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 3h19 h HIS 274 N 2.05 0.00 -0.02 1.38 2.07 -1.43 0.53 115.15 119.73 3h19 h HIS 274 Ca 0.05 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.50 3h19 h HIS 274 Cb 1.61 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.58 3h19 h HIS 274 CO 0.69 0.00 -0.32 -1.35 -3.07 0.00 0.00 177.93 173.88 3h19 h PRO 275 N 0.00 0.03 0.00 5.12 0.11 -1.87 -3.28 132.00 132.10 3h19 h PRO 275 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3h19 h PRO 275 Cb 1.01 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3h19 h PRO 275 CO -0.00 0.35 0.00 0.00 -0.21 0.00 0.00 178.00 178.13 3h19 n MET 276 N -4.15 1.55 -4.00 1.05 0.00 -0.92 -4.99 117.12 105.67 3h19 n MET 276 Ca -0.02 -1.10 -0.31 0.00 0.00 0.00 0.00 57.70 56.27 3h19 n MET 276 Cb 0.37 -0.95 -0.15 0.00 0.00 0.00 0.00 33.22 32.48 3h19 n MET 276 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 3h19 s LEU 277 N -0.62 2.96 0.29 3.17 2.96 0.13 -4.87 118.68 122.70 3h19 s LEU 277 Ca 0.00 -1.27 0.02 0.00 -0.22 0.00 0.00 54.13 52.66 3h19 s LEU 277 Cb 0.00 -1.35 0.61 0.00 0.50 0.00 0.00 46.19 45.95 3h19 s LEU 277 CO 0.00 -0.21 1.82 -0.65 -1.32 0.00 0.00 176.35 175.98 3h19 h PRO 278 N 7.87 0.89 -0.00 0.98 0.11 -1.88 -1.44 132.00 138.53 3h19 h PRO 278 Ca -0.19 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.84 3h19 h PRO 278 Cb 1.06 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3h19 h PRO 278 CO 0.43 0.59 -0.14 0.93 -0.21 0.00 0.00 178.00 179.61 3h19 h GLU 279 N 0.92 0.00 -0.34 1.05 3.07 -1.95 -1.46 114.58 115.87 3h19 h GLU 279 Ca 0.52 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 3h19 h GLU 279 Cb 0.61 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 3h19 h GLU 279 CO -0.30 0.14 0.23 0.78 -1.40 0.00 0.00 179.01 178.45 3h19 h GLY 280 N 0.41 0.48 1.06 -3.84 0.00 -1.45 0.17 103.07 99.89 3h19 h GLY 280 Ca -0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 3h19 h GLY 280 CO 0.02 0.18 -0.36 0.50 0.00 0.00 0.00 176.54 176.88 3h19 h LYS 281 N 0.46 0.83 -0.31 4.80 1.57 -1.22 -2.57 116.57 120.13 3h19 h LYS 281 Ca 0.12 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 3h19 h LYS 281 Cb -0.05 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3h19 h LYS 281 CO -0.03 1.08 0.09 1.96 -0.57 0.00 0.00 179.45 181.99 3h19 h GLN 282 N 0.61 0.49 -0.59 3.15 4.20 -1.15 0.20 115.11 122.03 3h19 h GLN 282 Ca 0.05 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3h19 h GLN 282 Cb 0.94 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 3h19 h GLN 282 CO 0.09 0.54 0.22 0.00 -0.67 0.00 0.00 178.83 179.01 3h19 h ALA 283 N 0.93 1.28 -0.15 3.87 0.00 -0.70 -1.74 119.26 122.74 3h19 h ALA 283 Ca 0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3h19 h ALA 283 Cb 0.26 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3h19 h ALA 283 CO -0.00 0.53 -0.04 0.82 0.00 0.00 0.00 179.25 180.55 3h19 h ILE 284 N 0.85 1.29 -0.59 0.00 2.04 -1.29 -1.95 117.51 117.86 3h19 h ILE 284 Ca 0.20 -1.01 0.12 0.00 1.00 0.00 0.00 64.86 65.17 3h19 h ILE 284 Cb 0.19 1.65 -0.09 0.00 -0.74 0.00 0.00 36.82 37.83 3h19 h ILE 284 CO -0.02 0.30 0.05 0.58 0.00 0.00 0.00 178.15 179.06 3h19 h VAL 285 N -0.01 0.57 -0.13 1.67 2.07 -0.76 -1.99 116.25 117.67 3h19 h VAL 285 Ca 0.04 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 3h19 h VAL 285 Cb 0.48 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3h19 h VAL 285 CO 0.02 0.03 -0.21 -0.09 0.02 0.00 0.00 177.57 177.34 3h19 h ARG 286 N 0.17 0.22 -0.19 1.57 9.65 -1.26 -0.33 114.38 124.21 3h19 h ARG 286 Ca 0.31 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.12 3h19 h ARG 286 Cb 0.49 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 3h19 h ARG 286 CO -0.46 0.42 0.08 0.28 2.80 0.00 0.00 179.97 183.09 3h19 h VAL 287 N 0.20 1.16 -0.77 0.20 2.07 -0.62 -1.63 116.25 116.86 3h19 h VAL 287 Ca 0.04 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3h19 h VAL 287 Cb 0.49 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3h19 h VAL 287 CO 0.03 0.15 0.45 1.23 0.02 0.00 0.00 177.57 179.45 3h19 h GLY 288 N 0.15 1.12 0.85 2.17 0.00 -0.93 -0.72 103.07 105.72 3h19 h GLY 288 Ca 0.06 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 46.94 3h19 h GLY 288 CO -0.01 0.46 0.10 0.83 0.00 0.00 0.00 176.54 177.93 3h19 h GLU 289 N 1.06 0.22 -0.30 4.80 5.08 -0.95 0.01 114.58 124.50 3h19 h GLU 289 Ca 0.27 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 3h19 h GLU 289 Cb -0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3h19 h GLU 289 CO -0.05 0.14 -0.19 0.35 -1.00 0.00 0.00 179.01 178.27 3h19 h PHE 290 N 0.22 0.76 -0.40 4.33 3.04 -0.85 0.46 116.94 124.51 3h19 h PHE 290 Ca 0.10 -0.20 0.08 0.00 3.98 0.00 0.00 57.97 61.93 3h19 h PHE 290 Cb 0.05 -0.17 -0.08 0.00 2.56 0.00 0.00 35.95 38.31 3h19 h PHE 290 CO -0.11 0.91 -0.14 0.52 -2.02 0.00 0.00 178.31 177.47 3h19 h MET 291 N 0.40 -0.05 -0.47 1.11 2.86 -1.13 -0.71 114.93 116.95 3h19 h MET 291 Ca 0.06 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 3h19 h MET 291 Cb 0.73 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3h19 h MET 291 CO 0.05 -0.03 -0.09 0.00 1.06 0.00 0.00 176.91 177.90 3h19 h ARG 292 N -0.05 0.89 -0.29 1.72 3.08 -0.61 -1.97 114.38 117.16 3h19 h ARG 292 Ca 0.20 -0.33 0.07 0.00 0.07 0.00 0.00 59.98 59.98 3h19 h ARG 292 Cb 0.35 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 3h19 h ARG 292 CO -0.44 0.98 -0.19 0.93 -1.07 0.00 0.00 179.97 180.17 3h19 h GLU 293 N 0.74 -0.16 0.00 0.04 5.08 0.12 -1.79 114.58 118.61 3h19 h GLU 293 Ca 0.12 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3h19 h GLU 293 Cb 0.63 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3h19 h GLU 293 CO 0.04 -0.11 -0.34 1.96 -1.00 0.00 0.00 179.01 179.56 3h19 h GLN 294 N -0.17 0.00 0.00 2.33 1.08 -0.92 -2.07 115.11 115.36 3h19 h GLN 294 Ca 0.15 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.17 3h19 h GLN 294 Cb 0.40 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 3h19 h GLN 294 CO -0.39 0.34 -0.83 -1.49 -0.95 0.00 0.00 178.83 175.52 3h19 h TRP 295 N 0.00 0.13 -0.00 2.96 6.55 -0.99 -3.23 115.95 121.36 3h19 h TRP 295 Ca -0.00 -0.07 -0.15 0.00 0.95 0.00 0.00 58.89 59.62 3h19 h TRP 295 Cb 0.68 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 28.95 3h19 h TRP 295 CO 0.00 0.87 -0.69 0.00 -1.05 0.00 0.00 178.44 177.57 3h19 h ALA 296 N 1.10 0.85 0.00 1.49 0.00 -0.66 -3.50 119.26 118.54 3h19 h ALA 296 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3h19 h ALA 296 Cb 1.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3h19 h ALA 296 CO 0.12 0.85 0.00 0.00 0.00 0.00 0.00 179.25 180.22