#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h18 s GLY 3 N 0.00 1.07 0.15 0.00 0.00 -1.26 -5.02 107.32 102.27 3h18 s GLY 3 Ca 0.00 -0.76 0.26 0.00 0.00 0.00 0.00 44.72 44.22 3h18 s GLY 3 CO 0.00 -0.27 1.79 -1.55 0.00 0.00 0.00 173.10 173.07 3h18 n PRO 4 N 3.40 0.18 0.07 2.90 -0.04 -1.26 -3.59 135.00 136.66 3h18 n PRO 4 Ca -0.19 0.19 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 3h18 n PRO 4 Cb 0.52 -1.72 -0.13 0.00 -0.04 0.00 0.00 33.50 32.13 3h18 n PRO 4 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3h18 h GLU 5 N 0.00 0.49 -0.49 0.54 3.07 -1.95 -2.44 114.58 113.79 3h18 h GLU 5 Ca 0.00 -0.67 -0.09 0.00 -0.50 0.00 0.00 59.36 58.09 3h18 h GLU 5 Cb 0.62 0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 3h18 h GLU 5 CO 0.00 1.29 -0.08 -0.84 -1.40 0.00 0.00 179.01 177.98 3h18 h ILE 6 N 0.01 1.26 -0.03 3.13 -0.00 -1.93 0.07 117.51 120.02 3h18 h ILE 6 Ca -0.16 -1.17 0.03 0.00 -0.00 0.00 0.00 64.86 63.57 3h18 h ILE 6 Cb 1.73 0.97 -0.05 0.00 -0.00 0.00 0.00 36.82 39.47 3h18 h ILE 6 CO 0.19 0.41 -0.24 0.58 -0.00 0.00 0.00 178.15 179.08 3h18 h VAL 7 N 0.79 0.43 -0.53 0.16 2.07 -1.65 1.07 116.25 118.59 3h18 h VAL 7 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 3h18 h VAL 7 Cb 0.58 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3h18 h VAL 7 CO 0.04 0.00 0.32 0.50 0.02 0.00 0.00 177.57 178.44 3h18 h LYS 8 N -0.36 0.61 -0.32 1.57 1.63 -1.13 -2.56 116.57 116.01 3h18 h LYS 8 Ca 0.07 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.68 3h18 h LYS 8 Cb 0.46 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.95 3h18 h LYS 8 CO -0.24 0.40 -0.40 1.25 -3.45 0.00 0.00 179.45 177.01 3h18 h LEU 9 N 0.63 0.91 -0.89 5.20 5.85 -0.66 -1.21 115.31 125.13 3h18 h LEU 9 Ca 0.22 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3h18 h LEU 9 Cb 0.03 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 3h18 h LEU 9 CO -0.10 1.22 0.50 0.11 -0.34 0.00 0.00 178.44 179.83 3h18 h LYS 10 N 0.62 1.24 -0.44 1.25 1.57 0.13 -0.41 116.57 120.52 3h18 h LYS 10 Ca 0.04 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 3h18 h LYS 10 Cb 0.99 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3h18 h LYS 10 CO 0.10 0.90 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.45 3h18 h LYS 11 N 1.24 0.92 -0.49 3.15 3.64 -1.31 -0.92 116.57 122.82 3h18 h LYS 11 Ca 0.32 -0.40 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3h18 h LYS 11 Cb 0.01 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 3h18 h LYS 11 CO -0.05 1.05 0.23 0.82 -2.27 0.00 0.00 179.45 179.23 3h18 h ILE 12 N 0.76 0.93 -0.18 2.00 1.08 -0.95 0.75 117.51 121.90 3h18 h ILE 12 Ca 0.10 -0.16 -0.20 0.00 -0.39 0.00 0.00 64.86 64.22 3h18 h ILE 12 Cb 0.77 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 3h18 h ILE 12 CO 0.06 0.08 -0.68 -0.07 -0.69 0.00 0.00 178.15 176.86 3h18 h LEU 13 N 0.45 0.80 -0.06 1.44 3.38 -0.90 -1.72 115.31 118.72 3h18 h LEU 13 Ca 0.22 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.74 3h18 h LEU 13 Cb 0.15 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3h18 h LEU 13 CO -0.17 1.26 -0.21 0.03 0.09 0.00 0.00 178.44 179.44 3h18 h ARG 14 N 0.50 -0.30 -0.60 1.13 3.08 -1.12 -2.11 114.38 114.96 3h18 h ARG 14 Ca -0.02 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.13 3h18 h ARG 14 Cb 1.27 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.36 3h18 h ARG 14 CO 0.13 -0.20 0.40 0.93 -1.07 0.00 0.00 179.97 180.17 3h18 h GLU 15 N -0.31 0.46 0.00 0.04 5.08 -0.50 -2.98 114.58 116.37 3h18 h GLU 15 Ca 0.08 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3h18 h GLU 15 Cb 0.42 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3h18 h GLU 15 CO -0.23 0.30 -0.46 0.87 -1.00 0.00 0.00 179.01 178.49 3h18 h LYS 16 N 0.47 0.00 -7.26 2.33 1.57 -1.18 -3.48 116.57 109.03 3h18 h LYS 16 Ca 0.27 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.55 3h18 h LYS 16 Cb 0.45 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.82 3h18 h LYS 16 CO -0.08 0.22 0.38 0.00 -0.57 0.00 0.00 179.45 179.40 3h18 s ALA 17 N -3.11 2.82 0.18 3.86 0.00 -0.81 -5.03 121.76 119.67 3h18 s ALA 17 Ca 0.04 0.19 -0.21 0.00 0.00 0.00 0.00 51.96 51.98 3h18 s ALA 17 Cb 0.07 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 3h18 s ALA 17 CO 0.73 -0.84 0.71 0.14 0.00 0.00 0.00 175.76 176.50 3h18 s VAL 18 N -2.77 4.54 0.54 0.00 -7.23 -1.26 -5.00 120.40 109.22 3h18 s VAL 18 Ca 0.60 1.39 -0.18 0.00 -1.81 0.00 0.00 61.98 61.98 3h18 s VAL 18 Cb -0.14 -3.95 -0.11 0.00 0.56 0.00 0.00 36.38 32.74 3h18 s VAL 18 CO 0.44 0.36 0.24 -2.65 -0.31 0.00 0.00 175.10 173.19 3h18 n PRO 19 N 1.15 0.29 -2.24 4.82 -0.02 -1.26 -4.81 135.00 132.93 3h18 n PRO 19 Ca -0.05 0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 3h18 n PRO 19 Cb 0.50 -1.40 -0.03 0.00 -0.02 0.00 0.00 33.50 32.56 3h18 n PRO 19 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3h18 s PRO 20 N -1.62 4.45 -0.06 0.52 0.02 -1.26 -2.27 135.00 134.78 3h18 s PRO 20 Ca 0.64 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.73 3h18 s PRO 20 Cb -0.47 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 30.93 3h18 s PRO 20 CO 0.59 -0.06 0.00 0.41 -0.33 0.00 0.00 177.00 177.61 3h18 n GLY 21 N 1.04 0.39 3.79 0.52 0.00 -1.26 -5.04 105.19 104.64 3h18 n GLY 21 Ca 0.00 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 3h18 n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h18 s THR 22 N -2.02 5.16 -0.65 2.61 -4.23 -0.96 -5.04 115.64 110.50 3h18 s THR 22 Ca 0.00 0.75 -0.24 0.00 -1.18 0.00 0.00 61.69 61.02 3h18 s THR 22 Cb 0.00 -3.69 0.05 0.00 1.34 0.00 0.00 72.50 70.21 3h18 s THR 22 CO 0.00 0.49 1.03 -1.61 -0.54 0.00 0.00 174.62 173.99 3h18 s GLU 23 N -0.40 3.18 -0.26 3.99 0.41 -1.26 -5.01 118.70 119.34 3h18 s GLU 23 Ca 0.22 -0.57 -0.15 0.00 -0.41 0.00 0.00 54.97 54.06 3h18 s GLU 23 Cb -0.15 -4.18 -0.04 0.00 -1.78 0.00 0.00 34.13 27.98 3h18 s GLU 23 CO 0.10 -1.82 0.37 0.08 -0.49 0.00 0.00 175.26 173.50 3h18 s VAL 24 N 4.41 5.18 0.36 2.63 1.01 -1.26 -5.06 120.40 127.67 3h18 s VAL 24 Ca 0.27 0.57 -0.23 0.00 0.00 0.00 0.00 61.98 62.59 3h18 s VAL 24 Cb -0.14 -3.70 -0.15 0.00 0.00 0.00 0.00 36.38 32.39 3h18 s VAL 24 CO 0.13 0.17 0.28 -2.65 0.00 0.00 0.00 175.10 173.03 3h18 n PRO 25 N 5.25 0.12 -0.25 2.72 -0.02 -1.26 -4.74 135.00 136.82 3h18 n PRO 25 Ca -0.09 0.04 0.02 0.00 -2.02 0.00 0.00 63.50 61.46 3h18 n PRO 25 Cb 0.51 -1.10 0.15 0.00 -0.02 0.00 0.00 33.50 33.04 3h18 n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3h18 h LEU 26 N 0.58 0.47 -0.93 2.45 6.46 -1.99 -0.48 115.31 121.86 3h18 h LEU 26 Ca -0.35 0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.36 3h18 h LEU 26 Cb 1.44 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.34 3h18 h LEU 26 CO 0.50 0.26 -0.42 -2.24 -0.62 0.00 0.00 178.44 175.92 3h18 h ASP 27 N 0.61 0.24 -0.55 1.25 2.03 -1.99 -1.10 116.42 116.90 3h18 h ASP 27 Ca 0.36 -0.10 -0.05 0.00 -0.73 0.00 0.00 57.03 56.51 3h18 h ASP 27 Cb 0.40 -0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 38.81 3h18 h ASP 27 CO -0.28 0.64 0.15 0.58 -1.03 0.00 0.00 179.24 179.30 3h18 h VAL 28 N 0.19 1.24 -0.24 4.15 2.07 -1.78 -1.51 116.25 120.38 3h18 h VAL 28 Ca 0.02 -0.86 -0.14 0.00 0.82 0.00 0.00 66.70 66.54 3h18 h VAL 28 Cb 0.83 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3h18 h VAL 28 CO 0.07 0.32 -0.40 0.24 0.02 0.00 0.00 177.57 177.81 3h18 h MET 29 N 0.78 0.70 -0.45 1.57 2.86 -0.86 -2.38 114.93 117.15 3h18 h MET 29 Ca 0.18 -0.43 0.09 0.00 -2.06 0.00 0.00 59.70 57.48 3h18 h MET 29 Cb 0.32 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 31.93 3h18 h MET 29 CO -0.00 1.05 -0.27 0.00 1.06 0.00 0.00 176.91 178.75 3h18 h ARG 30 N 0.42 -0.17 -0.06 1.72 3.08 -1.21 -0.56 114.38 117.59 3h18 h ARG 30 Ca 0.02 0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.90 3h18 h ARG 30 Cb 1.00 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 3h18 h ARG 30 CO 0.09 -0.11 -0.73 0.87 -1.07 0.00 0.00 179.97 179.02 3h18 h LYS 31 N -0.17 0.35 -0.56 0.04 1.57 -1.26 -1.84 116.57 114.70 3h18 h LYS 31 Ca 0.20 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3h18 h LYS 31 Cb 0.50 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3h18 h LYS 31 CO -0.55 0.94 0.21 0.78 -0.57 0.00 0.00 179.45 180.26 3h18 h GLY 32 N 1.38 0.92 1.43 3.86 0.00 -1.06 1.01 103.07 110.60 3h18 h GLY 32 Ca -0.03 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 3h18 h GLY 32 CO 0.12 0.48 0.35 -0.33 0.00 0.00 0.00 176.54 177.16 3h18 h MET 33 N 0.78 0.76 -0.01 4.80 2.86 -0.99 -2.17 114.93 120.96 3h18 h MET 33 Ca 0.19 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3h18 h MET 33 Cb 0.22 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3h18 h MET 33 CO -0.01 0.53 -0.05 0.93 1.06 0.00 0.00 176.91 179.37 3h18 h GLU 34 N 0.78 0.05 -0.93 1.72 4.39 -0.20 -3.25 114.58 117.14 3h18 h GLU 34 Ca 0.21 -0.04 0.20 0.00 0.34 0.00 0.00 59.36 60.07 3h18 h GLU 34 Cb -0.04 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.54 3h18 h GLU 34 CO -0.04 0.69 0.61 1.57 -1.16 0.00 0.00 179.01 180.68 3h18 h LYS 35 N -0.58 0.48 -0.55 2.33 2.10 0.11 -2.58 116.57 117.86 3h18 h LYS 35 Ca -0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3h18 h LYS 35 Cb 0.70 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3h18 h LYS 35 CO 0.01 0.31 0.00 1.33 -2.00 0.00 0.00 179.45 179.10 3h18 n VAL 36 N -4.56 2.38 -2.62 0.07 0.24 -0.82 -4.98 118.33 108.04 3h18 n VAL 36 Ca 0.20 -1.40 -0.41 0.00 -2.04 0.00 0.00 64.34 60.69 3h18 n VAL 36 Cb 0.67 -0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.86 3h18 n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h18 s ALA 37 N -2.46 3.34 0.41 2.33 0.00 -0.98 -4.98 121.76 119.43 3h18 s ALA 37 Ca 0.51 0.73 -0.27 0.00 0.00 0.00 0.00 51.96 52.93 3h18 s ALA 37 Cb 0.37 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 20.11 3h18 s ALA 37 CO 0.18 -0.04 1.43 -0.06 0.00 0.00 0.00 175.76 177.26 3h18 s PHE 38 N -0.65 2.59 0.06 0.00 0.08 -1.26 -4.98 117.98 113.82 3h18 s PHE 38 Ca 0.45 1.25 -0.29 0.00 0.12 0.00 0.00 56.93 58.47 3h18 s PHE 38 Cb -0.28 -3.92 -0.05 0.00 -0.57 0.00 0.00 43.02 38.21 3h18 s PHE 38 CO 0.34 -2.79 0.93 0.21 -0.10 0.00 0.00 175.22 173.82 3h18 s LYS 39 N -2.24 4.62 0.52 0.44 2.20 -1.26 -4.23 119.74 119.79 3h18 s LYS 39 Ca 0.56 1.37 -0.22 0.00 -0.36 0.00 0.00 55.97 57.32 3h18 s LYS 39 Cb -0.44 -3.40 -0.06 0.00 -1.51 0.00 0.00 37.83 32.42 3h18 s LYS 39 CO 0.58 0.14 1.35 0.00 -0.36 0.00 0.00 175.35 177.06 3h18 s ALA 40 N 0.32 2.91 0.57 3.13 0.00 -1.26 -4.75 121.76 122.68 3h18 s ALA 40 Ca 0.47 1.32 -0.21 0.00 0.00 0.00 0.00 51.96 53.55 3h18 s ALA 40 Cb -0.22 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 3h18 s ALA 40 CO 0.28 -1.28 1.32 0.00 0.00 0.00 0.00 175.76 176.08 3h18 s ALA 41 N -1.30 2.68 -0.50 0.00 0.00 -1.26 -4.86 121.76 116.52 3h18 s ALA 41 Ca 0.69 1.26 0.20 0.00 0.00 0.00 0.00 51.96 54.12 3h18 s ALA 41 Cb -0.40 -3.55 0.93 0.00 0.00 0.00 0.00 23.12 20.10 3h18 s ALA 41 CO 0.48 -1.39 1.62 -3.47 0.00 0.00 0.00 175.76 173.00 3h18 n ASP 42 N -1.29 0.52 -1.14 0.00 4.64 -1.26 -1.94 116.55 116.08 3h18 n ASP 42 Ca 0.12 0.66 0.11 0.00 -1.38 0.00 0.00 54.79 54.31 3h18 n ASP 42 Cb 0.46 -0.76 0.22 0.00 -1.04 0.00 0.00 41.12 40.00 3h18 n ASP 42 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 3h18 n ASP 43 N -2.11 3.46 -4.66 1.67 3.85 -1.26 -4.82 116.55 112.68 3h18 n ASP 43 Ca 0.01 -1.98 -0.42 0.00 -0.71 0.00 0.00 54.79 51.70 3h18 n ASP 43 Cb 0.15 -0.27 -0.04 0.00 -1.35 0.00 0.00 41.12 39.62 3h18 n ASP 43 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3h18 s ILE 44 N -1.40 4.85 0.21 2.12 1.01 -0.82 -4.09 121.20 123.08 3h18 s ILE 44 Ca 0.38 1.66 0.05 0.00 0.00 0.00 0.00 60.65 62.75 3h18 s ILE 44 Cb 0.22 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 3h18 s ILE 44 CO 0.31 -0.02 0.24 -1.10 0.00 0.00 0.00 174.94 174.37 3h18 s GLN 45 N 2.43 3.15 -0.01 2.79 -1.52 0.34 -4.94 119.66 121.90 3h18 s GLN 45 Ca 0.38 -0.85 -0.01 0.00 -1.95 0.00 0.00 55.36 52.94 3h18 s GLN 45 Cb -0.16 -2.75 0.01 0.00 -0.22 0.00 0.00 33.01 29.89 3h18 s GLN 45 CO 0.11 0.45 0.03 0.08 -0.25 0.00 0.00 175.29 175.71 3h18 s VAL 46 N -1.93 -0.02 -0.07 1.09 1.01 -1.26 -0.70 120.40 118.52 3h18 s VAL 46 Ca 0.33 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 3h18 s VAL 46 Cb -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 36.38 36.26 3h18 s VAL 46 CO 0.26 0.02 -0.03 -0.70 0.00 0.00 0.00 175.10 174.66 3h18 s GLU 47 N 0.31 0.85 0.04 2.72 2.12 -0.35 -4.97 118.70 119.41 3h18 s GLU 47 Ca -0.02 -0.03 -0.30 0.00 0.36 0.00 0.00 54.97 54.97 3h18 s GLU 47 Cb -0.04 -1.03 -0.04 0.00 0.26 0.00 0.00 34.13 33.29 3h18 s GLU 47 CO -0.01 -0.21 0.98 -0.65 -0.54 0.00 0.00 175.26 174.82 3h18 s GLN 48 N 1.53 4.60 0.31 4.30 -0.21 -1.26 -1.19 119.66 127.74 3h18 s GLN 48 Ca -0.01 1.43 0.05 0.00 0.02 0.00 0.00 55.36 56.85 3h18 s GLN 48 Cb -0.13 -3.43 -0.06 0.00 1.00 0.00 0.00 33.01 30.38 3h18 s GLN 48 CO -0.04 0.03 0.01 0.08 -2.12 0.00 0.00 175.29 173.26 3h18 s VAL 49 N 0.69 1.39 -0.01 1.09 1.01 -0.87 -4.96 120.40 118.74 3h18 s VAL 49 Ca 0.50 -2.04 0.08 0.00 0.00 0.00 0.00 61.98 60.53 3h18 s VAL 49 Cb -0.22 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 3h18 s VAL 49 CO 0.29 -0.11 -0.26 0.42 0.00 0.00 0.00 175.10 175.43 3h18 s THR 50 N -3.17 2.08 -0.14 3.92 -4.23 -1.26 -1.64 115.64 111.21 3h18 s THR 50 Ca 0.34 -1.17 -0.04 0.00 -1.18 0.00 0.00 61.69 59.64 3h18 s THR 50 Cb 0.07 -1.74 0.06 0.00 1.34 0.00 0.00 72.50 72.23 3h18 s THR 50 CO 0.14 0.53 0.11 -0.69 -0.54 0.00 0.00 174.62 174.17 3h18 s VAL 51 N -0.66 -0.15 -1.50 2.29 1.01 -0.36 -4.84 120.40 116.20 3h18 s VAL 51 Ca 0.10 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 3h18 s VAL 51 Cb -0.10 -0.46 0.07 0.00 0.00 0.00 0.00 36.38 35.89 3h18 s VAL 51 CO -0.00 -0.12 1.00 0.00 0.00 0.00 0.00 175.10 175.98 3h18 n ALA 52 N 5.30 -1.27 -0.86 5.51 0.00 -1.26 -0.99 120.51 126.94 3h18 n ALA 52 Ca -0.06 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3h18 n ALA 52 Cb 0.49 -4.64 0.00 0.00 0.00 0.00 0.00 19.45 15.30 3h18 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h18 n GLY 53 N -1.73 0.73 3.84 0.00 0.00 -1.26 -4.98 105.19 101.79 3h18 n GLY 53 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3h18 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h18 n ALA 55 N 1.86 -0.50 -3.20 0.00 0.00 -1.26 -1.22 120.51 116.18 3h18 n ALA 55 Ca -0.15 0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 3h18 n ALA 55 Cb 0.53 -1.96 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 3h18 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h18 s ALA 56 N -1.36 -0.99 -0.01 0.00 0.00 -0.65 -0.92 121.76 117.83 3h18 s ALA 56 Ca 0.64 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.52 3h18 s ALA 56 Cb -0.57 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.36 3h18 s ALA 56 CO 0.56 -0.74 -0.04 -1.21 0.00 0.00 0.00 175.76 174.33 3h18 s GLU 57 N -3.84 0.37 -0.00 0.00 2.02 -1.07 -2.06 118.70 114.12 3h18 s GLU 57 Ca 0.06 -0.13 -0.27 0.00 0.02 0.00 0.00 54.97 54.65 3h18 s GLU 57 Cb 0.00 -0.37 -0.04 0.00 0.10 0.00 0.00 34.13 33.82 3h18 s GLU 57 CO -0.07 0.06 0.87 -1.58 0.02 0.00 0.00 175.26 174.57 3h18 s TRP 58 N 0.05 3.66 -0.28 1.61 0.52 -0.33 0.88 118.94 125.04 3h18 s TRP 58 Ca -0.00 1.55 0.03 0.00 0.02 0.00 0.00 56.10 57.70 3h18 s TRP 58 Cb -0.03 -2.99 0.07 0.00 -1.15 0.00 0.00 33.47 29.37 3h18 s TRP 58 CO -0.00 0.07 -0.05 0.08 0.02 0.00 0.00 176.95 177.08 3h18 s VAL 59 N 0.72 2.06 -0.20 4.03 1.01 0.54 -1.22 120.40 127.34 3h18 s VAL 59 Ca 0.46 -1.79 0.01 0.00 0.00 0.00 0.00 61.98 60.66 3h18 s VAL 59 Cb -0.20 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 33.89 3h18 s VAL 59 CO 0.25 -0.24 -0.16 -0.13 0.00 0.00 0.00 175.10 174.81 3h18 s ARG 60 N 1.10 2.83 0.91 2.72 0.52 0.12 -1.08 118.95 126.08 3h18 s ARG 60 Ca -0.02 -0.94 -0.12 0.00 -0.52 0.00 0.00 55.73 54.13 3h18 s ARG 60 Cb -0.19 -2.69 0.20 0.00 0.52 0.00 0.00 34.95 32.79 3h18 s ARG 60 CO -0.07 -0.30 1.25 0.00 0.02 0.00 0.00 175.30 176.20 3h18 s ALA 61 N 1.26 2.65 0.66 2.13 0.00 -1.26 -0.51 121.76 126.69 3h18 s ALA 61 Ca 0.02 -1.46 -0.12 0.00 0.00 0.00 0.00 51.96 50.40 3h18 s ALA 61 Cb -0.15 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 3h18 s ALA 61 CO -0.10 -2.26 1.05 -1.25 0.00 0.00 0.00 175.76 173.20 3h18 s PRO 62 N -5.71 3.15 0.00 0.00 0.04 -1.26 -3.94 135.00 127.28 3h18 s PRO 62 Ca 0.73 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.71 3h18 s PRO 62 Cb -0.03 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3h18 s PRO 62 CO 0.51 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 177.03 3h18 n GLY 63 N -2.03 0.73 3.73 0.56 0.00 -1.26 -4.71 105.19 102.21 3h18 n GLY 63 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3h18 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h18 s GLN 65 N 0.43 3.85 0.05 0.00 -0.44 -0.23 -4.96 119.66 118.35 3h18 s GLN 65 Ca 0.60 0.38 -0.29 0.00 -2.50 0.00 0.00 55.36 53.56 3h18 s GLN 65 Cb -0.36 -2.58 -0.17 0.00 -1.64 0.00 0.00 33.01 28.26 3h18 s GLN 65 CO 0.35 0.26 1.48 0.00 0.50 0.00 0.00 175.29 177.87 3h18 h ALA 66 N 2.39 -0.65 0.00 1.58 0.00 -1.93 -3.21 119.26 117.43 3h18 h ALA 66 Ca -0.47 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3h18 h ALA 66 Cb 1.17 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3h18 h ALA 66 CO 0.68 -0.80 0.00 0.41 0.00 0.00 0.00 179.25 179.54 3h18 n GLY 67 N -1.01 -1.03 3.73 0.00 0.00 -1.26 -4.90 105.19 100.72 3h18 n GLY 67 Ca -0.11 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3h18 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h18 s LYS 68 N -3.35 2.65 0.18 1.61 -0.14 -1.21 -4.68 119.74 114.81 3h18 s LYS 68 Ca 0.02 -0.98 -0.16 0.00 -1.36 0.00 0.00 55.97 53.48 3h18 s LYS 68 Cb 0.07 -2.50 0.02 0.00 -1.68 0.00 0.00 37.83 33.74 3h18 s LYS 68 CO 0.27 0.47 0.47 0.00 -0.76 0.00 0.00 175.35 175.81 3h18 s ALA 69 N -1.73 -0.80 -0.09 5.17 0.00 -1.05 -3.88 121.76 119.39 3h18 s ALA 69 Ca 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 3h18 s ALA 69 Cb -0.10 0.83 0.03 0.00 0.00 0.00 0.00 23.12 23.89 3h18 s ALA 69 CO 0.21 -0.76 -0.02 0.42 0.00 0.00 0.00 175.76 175.61 3h18 s ILE 70 N -3.88 0.59 -0.36 0.00 1.01 -0.58 -2.02 121.20 115.96 3h18 s ILE 70 Ca 0.10 -0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 3h18 s ILE 70 Cb -0.00 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.77 3h18 s ILE 70 CO -0.03 0.28 1.21 -0.22 0.00 0.00 0.00 174.94 176.18 3h18 s LEU 71 N 1.88 3.81 -0.12 2.97 2.96 -0.42 0.26 118.68 130.02 3h18 s LEU 71 Ca 0.05 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.91 3h18 s LEU 71 Cb -0.12 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 3h18 s LEU 71 CO -0.06 -1.09 -0.13 -0.47 -1.32 0.00 0.00 176.35 173.28 3h18 s TYR 72 N 4.28 2.81 -0.27 5.38 6.14 -0.38 -1.46 117.35 133.85 3h18 s TYR 72 Ca 0.52 -0.57 0.01 0.00 0.64 0.00 0.00 57.07 57.67 3h18 s TYR 72 Cb -0.13 -1.82 0.08 0.00 0.42 0.00 0.00 41.96 40.50 3h18 s TYR 72 CO 0.24 -0.15 -0.00 -0.51 0.64 0.00 0.00 175.55 175.76 3h18 s LEU 73 N 0.22 2.94 0.71 6.97 1.43 -0.46 -2.85 118.68 127.64 3h18 s LEU 73 Ca -0.08 -1.46 -0.14 0.00 -1.03 0.00 0.00 54.13 51.43 3h18 s LEU 73 Cb -0.15 -1.21 0.03 0.00 0.03 0.00 0.00 46.19 44.89 3h18 s LEU 73 CO 0.05 -0.30 1.12 -1.38 0.23 0.00 0.00 176.35 176.07 3h18 s HIS 74 N 1.34 2.47 0.85 0.29 -3.43 -1.26 -2.13 115.29 113.42 3h18 s HIS 74 Ca 0.00 1.57 -0.08 0.00 -0.80 0.00 0.00 55.06 55.76 3h18 s HIS 74 Cb -0.19 -3.19 0.17 0.00 -1.43 0.00 0.00 32.58 27.94 3h18 s HIS 74 CO -0.10 -1.91 1.17 0.20 -2.00 0.00 0.00 174.74 172.10 3h18 s GLY 75 N -2.70 1.78 0.00 -1.38 0.00 -1.00 -3.12 107.32 100.89 3h18 s GLY 75 Ca 0.67 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3h18 s GLY 75 CO 0.46 -0.84 0.00 0.61 0.00 0.00 0.00 173.10 173.34 3h18 n GLY 76 N -3.32 0.20 2.37 0.20 0.00 -1.26 -4.30 105.19 99.07 3h18 n GLY 76 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3h18 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h18 n GLY 77 N 0.00 0.49 2.78 -0.02 0.00 -1.26 -1.16 105.19 106.01 3h18 n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h18 n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h18 n TYR 78 N -2.66 0.00 0.00 1.61 4.02 -1.26 -4.75 117.16 114.12 3h18 n TYR 78 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3h18 n TYR 78 Cb 0.07 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 3h18 n TYR 78 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3h18 n VAL 79 N -2.23 0.00 -3.59 -0.72 0.24 -0.63 -0.61 118.33 110.80 3h18 n VAL 79 Ca 0.00 -0.07 -0.02 0.00 -2.04 0.00 0.00 64.34 62.21 3h18 n VAL 79 Cb 0.00 0.50 -0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3h18 n VAL 79 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3h18 n MET 80 N -1.08 0.11 0.00 7.34 0.00 -0.31 -4.71 117.12 118.48 3h18 n MET 80 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 57.70 57.28 3h18 n MET 80 Cb 0.00 0.41 0.00 0.00 0.00 0.00 0.00 33.22 33.63 3h18 n MET 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3h18 n GLY 81 N -0.09 -0.94 3.83 3.17 0.00 -1.26 -4.13 105.19 105.76 3h18 n GLY 81 Ca -0.00 -1.53 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 3h18 n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h18 s SER 82 N -2.21 -0.12 0.25 1.61 1.04 -1.26 -5.00 113.70 108.02 3h18 s SER 82 Ca 0.00 -0.89 -0.08 0.00 0.48 0.00 0.00 55.95 55.46 3h18 s SER 82 Cb 0.00 0.79 0.42 0.00 0.10 0.00 0.00 66.02 67.33 3h18 s SER 82 CO 0.00 -1.52 1.61 0.40 0.98 0.00 0.00 173.24 174.71 3h18 h ILE 83 N 2.00 0.26 -0.82 -1.02 2.04 -1.88 -2.97 117.51 115.12 3h18 h ILE 83 Ca -0.26 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3h18 h ILE 83 Cb 1.25 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3h18 h ILE 83 CO 0.32 0.01 0.39 -1.13 0.00 0.00 0.00 178.15 177.74 3h18 h ASN 84 N 0.05 1.07 1.46 1.72 -1.24 -1.98 -1.83 115.58 114.83 3h18 h ASN 84 Ca 0.42 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 57.30 3h18 h ASN 84 Cb 0.71 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.49 3h18 h ASN 84 CO -0.75 0.90 -0.02 0.71 -1.29 0.00 0.00 177.43 176.98 3h18 h THR 85 N 1.17 0.04 -0.00 -3.57 1.35 -1.86 -3.30 112.91 106.73 3h18 h THR 85 Ca 0.28 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3h18 h THR 85 Cb 0.12 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3h18 h THR 85 CO -0.04 0.02 -0.02 1.41 -0.25 0.00 0.00 175.52 176.64 3h18 n HIS 86 N -3.11 0.00 -0.11 4.73 8.25 -0.90 -4.71 115.22 119.36 3h18 n HIS 86 Ca 0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.43 3h18 n HIS 86 Cb 0.42 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.54 3h18 n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3h18 h ARG 87 N 0.75 0.02 -0.19 -0.41 2.43 -1.43 -0.68 114.38 114.86 3h18 h ARG 87 Ca 0.00 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3h18 h ARG 87 Cb 0.17 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 3h18 h ARG 87 CO 0.00 0.01 -0.50 1.03 -1.51 0.00 0.00 179.97 179.00 3h18 h SER 88 N 0.02 -1.61 -0.07 -3.80 0.87 -1.82 -0.08 113.55 107.06 3h18 h SER 88 Ca 0.19 0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.88 3h18 h SER 88 Cb 0.28 0.64 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 3h18 h SER 88 CO -0.38 -0.42 -0.12 -0.03 -0.53 0.00 0.00 176.83 175.35 3h18 h MET 89 N -0.49 0.38 -0.00 2.24 1.85 -1.81 -2.53 114.93 114.57 3h18 h MET 89 Ca 0.04 -0.10 -0.18 0.00 -0.61 0.00 0.00 59.70 58.85 3h18 h MET 89 Cb 0.60 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.57 3h18 h MET 89 CO -0.44 0.50 -0.83 0.28 -0.40 0.00 0.00 176.91 176.02 3h18 h VAL 90 N 0.35 1.52 -0.81 -5.77 2.07 -0.93 -1.63 116.25 111.05 3h18 h VAL 90 Ca 0.07 -2.62 0.08 0.00 0.82 0.00 0.00 66.70 65.05 3h18 h VAL 90 Cb 0.43 2.44 -0.07 0.00 -1.52 0.00 0.00 31.29 32.57 3h18 h VAL 90 CO 0.02 0.76 0.48 1.23 0.02 0.00 0.00 177.57 180.08 3h18 h GLY 91 N 2.03 1.24 2.00 2.17 0.00 -0.59 -1.03 103.07 108.88 3h18 h GLY 91 Ca -0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 3h18 h GLY 91 CO 0.12 0.18 -0.42 0.83 0.00 0.00 0.00 176.54 177.25 3h18 h GLU 92 N 0.84 0.00 0.01 4.80 4.39 -1.05 -1.16 114.58 122.41 3h18 h GLU 92 Ca 0.37 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.99 3h18 h GLU 92 Cb 0.27 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3h18 h GLU 92 CO -0.21 0.42 -0.33 0.82 -1.16 0.00 0.00 179.01 178.56 3h18 h ILE 93 N 0.00 1.55 -0.76 3.13 2.04 -0.55 -2.03 117.51 120.88 3h18 h ILE 93 Ca -0.00 -2.05 0.16 0.00 1.00 0.00 0.00 64.86 63.96 3h18 h ILE 93 Cb 0.92 2.83 -0.14 0.00 -0.74 0.00 0.00 36.82 39.69 3h18 h ILE 93 CO 0.06 0.56 -0.16 -1.28 0.00 0.00 0.00 178.15 177.33 3h18 h SER 94 N -0.48 -0.65 -0.87 1.72 0.87 -1.13 -0.67 113.55 112.34 3h18 h SER 94 Ca -0.04 0.22 0.16 0.00 -1.23 0.00 0.00 61.79 60.90 3h18 h SER 94 Cb 1.10 0.45 -0.10 0.00 -0.44 0.00 0.00 62.40 63.42 3h18 h SER 94 CO 0.06 -0.24 0.44 -0.09 -0.53 0.00 0.00 176.83 176.47 3h18 h ARG 95 N 0.01 0.57 0.00 2.24 2.43 -1.00 0.02 114.38 118.65 3h18 h ARG 95 Ca 0.38 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.31 3h18 h ARG 95 Cb 0.59 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3h18 h ARG 95 CO -0.77 0.38 -1.19 0.00 -1.51 0.00 0.00 179.97 176.88 3h18 h ALA 96 N 1.59 0.60 -0.00 2.80 0.00 -0.44 -3.28 119.26 120.54 3h18 h ALA 96 Ca 0.49 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3h18 h ALA 96 Cb 0.74 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3h18 h ALA 96 CO -0.39 1.14 -0.56 -1.13 0.00 0.00 0.00 179.25 178.31 3h18 n SER 97 N -3.13 0.86 -3.91 0.00 3.41 -0.44 -4.30 113.62 106.11 3h18 n SER 97 Ca -0.07 -0.93 -0.28 0.00 -0.26 0.00 0.00 58.87 57.33 3h18 n SER 97 Cb 0.91 0.87 0.01 0.00 -0.26 0.00 0.00 64.21 65.74 3h18 n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h18 n GLN 98 N -1.03 -4.74 -4.04 4.33 6.02 -0.02 -4.77 117.38 113.12 3h18 n GLN 98 Ca 0.03 0.54 -0.12 0.00 -0.01 0.00 0.00 57.00 57.45 3h18 n GLN 98 Cb 0.24 -5.23 -0.12 0.00 1.02 0.00 0.00 30.24 26.15 3h18 n GLN 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h18 s ALA 99 N -3.48 0.41 0.31 -1.58 0.00 -1.20 -1.07 121.76 115.15 3h18 s ALA 99 Ca 0.42 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 3h18 s ALA 99 Cb -0.22 0.05 -0.09 0.00 0.00 0.00 0.00 23.12 22.86 3h18 s ALA 99 CO 0.85 -0.04 1.08 0.00 0.00 0.00 0.00 175.76 177.65 3h18 s ALA 100 N -1.20 3.33 -0.04 0.00 0.00 -1.25 -4.21 121.76 118.40 3h18 s ALA 100 Ca -0.10 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 52.55 3h18 s ALA 100 Cb -0.09 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 3h18 s ALA 100 CO -0.00 -0.16 0.41 0.00 0.00 0.00 0.00 175.76 176.01 3h18 s ALA 101 N -1.27 3.65 -0.34 0.00 0.00 -0.24 -1.53 121.76 122.03 3h18 s ALA 101 Ca 0.47 -0.24 -0.21 0.00 0.00 0.00 0.00 51.96 51.98 3h18 s ALA 101 Cb -0.29 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.39 3h18 s ALA 101 CO 0.38 0.36 0.68 -1.17 0.00 0.00 0.00 175.76 176.01 3h18 s LEU 102 N -0.62 4.17 -0.47 0.00 0.20 0.74 -0.34 118.68 122.36 3h18 s LEU 102 Ca 0.23 0.34 -0.11 0.00 0.69 0.00 0.00 54.13 55.29 3h18 s LEU 102 Cb -0.16 -2.88 0.11 0.00 -0.43 0.00 0.00 46.19 42.83 3h18 s LEU 102 CO 0.12 -0.59 0.36 -0.22 -0.29 0.00 0.00 176.35 175.73 3h18 s LEU 103 N 2.79 5.69 0.00 -0.68 2.96 0.25 -1.25 118.68 128.43 3h18 s LEU 103 Ca 0.27 -1.78 -0.22 0.00 -0.22 0.00 0.00 54.13 52.18 3h18 s LEU 103 Cb -0.14 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 3h18 s LEU 103 CO 0.14 -0.69 0.65 -0.22 -1.32 0.00 0.00 176.35 174.90 3h18 s LEU 104 N 1.43 4.41 -1.16 -0.68 0.20 -1.13 -2.59 118.68 119.17 3h18 s LEU 104 Ca 0.05 1.23 -0.09 0.00 0.69 0.00 0.00 54.13 56.01 3h18 s LEU 104 Cb -0.26 -3.01 0.24 0.00 -0.43 0.00 0.00 46.19 42.73 3h18 s LEU 104 CO 0.01 0.06 1.40 -0.67 -0.29 0.00 0.00 176.35 176.86 3h18 n ASP 105 N 2.85 5.61 -4.82 3.68 2.03 -0.09 -4.70 116.55 121.11 3h18 n ASP 105 Ca -0.05 -3.13 -0.29 0.00 0.52 0.00 0.00 54.79 51.84 3h18 n ASP 105 Cb 0.51 -1.42 0.12 0.00 -0.72 0.00 0.00 41.12 39.61 3h18 n ASP 105 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3h18 s TYR 106 N -0.71 2.68 0.27 -0.67 -0.85 -1.26 -4.35 117.35 112.46 3h18 s TYR 106 Ca 0.35 0.86 -0.30 0.00 -0.52 0.00 0.00 57.07 57.47 3h18 s TYR 106 Cb -0.02 -3.38 -0.09 0.00 0.38 0.00 0.00 41.96 38.85 3h18 s TYR 106 CO -0.00 -2.12 1.07 1.03 -1.52 0.00 0.00 175.55 174.00 3h18 s ARG 107 N -5.34 4.69 0.06 -3.49 0.52 -1.26 -5.01 118.95 109.11 3h18 s ARG 107 Ca 0.63 1.74 0.07 0.00 -0.52 0.00 0.00 55.73 57.65 3h18 s ARG 107 Cb -0.14 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 3h18 s ARG 107 CO 0.52 0.27 -0.15 -0.51 0.02 0.00 0.00 175.30 175.46 3h18 s LEU 108 N -1.39 2.80 0.56 2.53 1.43 -1.26 -4.10 118.68 119.24 3h18 s LEU 108 Ca 0.44 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 53.06 3h18 s LEU 108 Cb -0.31 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 3h18 s LEU 108 CO 0.39 0.23 0.90 0.00 0.23 0.00 0.00 176.35 178.10 3h18 s ALA 109 N -1.04 3.26 -2.08 4.21 0.00 0.22 -0.98 121.76 125.36 3h18 s ALA 109 Ca 0.17 -0.41 0.28 0.00 0.00 0.00 0.00 51.96 52.01 3h18 s ALA 109 Cb -0.11 -2.76 1.14 0.00 0.00 0.00 0.00 23.12 21.39 3h18 s ALA 109 CO 0.08 -0.58 1.80 -0.35 0.00 0.00 0.00 175.76 176.71 3h18 n PRO 110 N -2.51 1.17 -0.36 0.00 -0.04 -1.26 -4.07 135.00 127.93 3h18 n PRO 110 Ca 0.03 -0.57 0.09 0.00 -0.04 0.00 0.00 63.50 63.02 3h18 n PRO 110 Cb 0.55 -1.49 0.27 0.00 -0.04 0.00 0.00 33.50 32.79 3h18 n PRO 110 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3h18 h GLU 111 N 1.39 0.89 -3.22 0.54 3.07 -1.92 -3.36 114.58 111.97 3h18 h GLU 111 Ca 0.00 -0.05 -0.62 0.00 -0.50 0.00 0.00 59.36 58.18 3h18 h GLU 111 Cb 0.40 -0.20 -0.40 0.00 -0.84 0.00 0.00 28.75 27.71 3h18 h GLU 111 CO 0.00 0.59 -0.70 -1.01 -1.40 0.00 0.00 179.01 176.49 3h18 s HIS 112 N -5.92 2.48 0.98 4.33 3.76 -0.15 -5.03 115.29 115.73 3h18 s HIS 112 Ca -0.12 -2.70 -0.13 0.00 -0.15 0.00 0.00 55.06 51.97 3h18 s HIS 112 Cb 0.23 -2.27 0.18 0.00 1.11 0.00 0.00 32.58 31.83 3h18 s HIS 112 CO 0.81 -0.78 1.11 -1.25 -0.85 0.00 0.00 174.74 173.78 3h18 s PRO 113 N 0.18 0.61 0.41 8.40 0.05 -1.26 -3.61 135.00 139.78 3h18 s PRO 113 Ca 0.17 0.39 -0.23 0.00 0.05 0.00 0.00 61.00 61.38 3h18 s PRO 113 Cb -0.25 -1.77 -0.13 0.00 0.05 0.00 0.00 34.50 32.41 3h18 s PRO 113 CO -0.01 -2.58 0.55 0.34 0.05 0.00 0.00 177.00 175.35 3h18 n PHE 114 N -4.05 -0.48 -0.34 0.56 7.35 0.20 -2.07 117.46 118.63 3h18 n PHE 114 Ca 0.06 0.61 -0.02 0.00 -0.76 0.00 0.00 57.45 57.34 3h18 n PHE 114 Cb 0.58 -1.99 0.22 0.00 0.35 0.00 0.00 39.48 38.64 3h18 n PHE 114 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3h18 n PRO 115 N 0.62 3.03 0.04 -7.13 -0.04 -1.26 -4.95 135.00 125.31 3h18 n PRO 115 Ca 0.12 -2.08 -0.12 0.00 -0.04 0.00 0.00 63.50 61.38 3h18 n PRO 115 Cb 0.39 -1.94 -0.05 0.00 -0.04 0.00 0.00 33.50 31.86 3h18 n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h18 h ALA 116 N 2.68 -0.48 -1.00 0.55 0.00 -1.68 0.19 119.26 119.52 3h18 h ALA 116 Ca 0.14 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.17 3h18 h ALA 116 Cb 1.75 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 20.08 3h18 h ALA 116 CO 0.47 -0.85 0.63 0.00 0.00 0.00 0.00 179.25 179.50 3h18 h ALA 117 N 0.24 1.54 -0.43 0.00 0.00 -1.80 0.39 119.26 119.20 3h18 h ALA 117 Ca 0.07 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3h18 h ALA 117 Cb 0.58 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3h18 h ALA 117 CO -0.31 0.21 0.08 0.28 0.00 0.00 0.00 179.25 179.50 3h18 h VAL 118 N 0.98 1.24 -0.51 0.00 2.07 -1.51 -2.12 116.25 116.41 3h18 h VAL 118 Ca 0.50 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3h18 h VAL 118 Cb 0.51 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3h18 h VAL 118 CO -0.27 0.30 0.31 -0.33 0.02 0.00 0.00 177.57 177.60 3h18 h GLU 119 N 0.57 0.59 -0.02 1.57 5.08 0.07 0.49 114.58 122.94 3h18 h GLU 119 Ca 0.13 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3h18 h GLU 119 Cb 0.36 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3h18 h GLU 119 CO 0.01 0.39 0.01 -0.44 -1.00 0.00 0.00 179.01 177.98 3h18 h ASP 120 N 0.61 0.02 -0.21 1.42 3.32 -0.89 -2.31 116.42 118.38 3h18 h ASP 120 Ca 0.20 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.25 3h18 h ASP 120 Cb 0.01 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.49 3h18 h ASP 120 CO -0.09 0.08 -0.29 1.23 -1.72 0.00 0.00 179.24 178.45 3h18 h GLY 121 N -0.04 -0.30 0.78 2.75 0.00 -1.00 0.02 103.07 105.28 3h18 h GLY 121 Ca 0.01 0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.74 3h18 h GLY 121 CO -0.00 -0.21 0.61 -2.08 0.00 0.00 0.00 176.54 174.86 3h18 h VAL 122 N -0.32 1.10 -0.19 4.60 2.07 -0.97 -1.19 116.25 121.35 3h18 h VAL 122 Ca 0.12 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 3h18 h VAL 122 Cb 0.51 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3h18 h VAL 122 CO -0.39 0.21 -0.31 0.00 0.02 0.00 0.00 177.57 177.10 3h18 h ALA 123 N 1.42 1.11 -0.11 1.67 0.00 -0.79 0.86 119.26 123.43 3h18 h ALA 123 Ca 0.40 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3h18 h ALA 123 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3h18 h ALA 123 CO -0.16 0.56 -0.42 0.00 0.00 0.00 0.00 179.25 179.23 3h18 h ALA 124 N 1.34 0.19 0.06 0.00 0.00 -0.59 -1.88 119.26 118.39 3h18 h ALA 124 Ca 0.04 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.50 3h18 h ALA 124 Cb 0.72 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3h18 h ALA 124 CO 0.05 0.32 -0.30 -0.92 0.00 0.00 0.00 179.25 178.41 3h18 h TYR 125 N 0.06 -0.80 -0.67 0.00 3.20 -0.99 0.91 116.97 118.67 3h18 h TYR 125 Ca -0.02 0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.99 3h18 h TYR 125 Cb 1.06 0.35 -0.09 0.00 1.54 0.00 0.00 36.73 39.59 3h18 h TYR 125 CO 0.11 -0.39 0.23 -0.09 -1.64 0.00 0.00 178.16 176.38 3h18 h ARG 126 N -0.48 0.37 -0.88 1.82 2.43 -0.83 0.83 114.38 117.64 3h18 h ARG 126 Ca 0.05 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3h18 h ARG 126 Cb 0.54 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 3h18 h ARG 126 CO -0.21 0.24 0.56 2.35 -1.51 0.00 0.00 179.97 181.40 3h18 h TRP 127 N 0.38 1.03 0.40 2.20 7.01 -1.08 -1.51 115.95 124.38 3h18 h TRP 127 Ca 0.36 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.37 3h18 h TRP 127 Cb 0.52 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 3h18 h TRP 127 CO -0.19 0.56 -0.21 -0.07 -2.79 0.00 0.00 178.44 175.73 3h18 h LEU 128 N 1.04 -0.52 -1.92 0.65 3.38 0.16 -2.19 115.31 115.93 3h18 h LEU 128 Ca 0.37 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.55 3h18 h LEU 128 Cb 0.09 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3h18 h LEU 128 CO -0.15 -0.35 0.50 -0.07 0.09 0.00 0.00 178.44 178.46 3h18 h LEU 129 N -0.57 0.07 0.00 1.67 3.38 -1.08 -1.90 115.31 116.89 3h18 h LEU 129 Ca -0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3h18 h LEU 129 Cb 0.45 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3h18 h LEU 129 CO 0.07 0.03 -0.19 0.44 0.09 0.00 0.00 178.44 178.89 3h18 h ASP 130 N 0.08 0.00 0.23 -0.43 3.45 -0.89 -1.06 116.42 117.80 3h18 h ASP 130 Ca 0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.80 3h18 h ASP 130 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3h18 h ASP 130 CO -0.03 0.08 0.00 0.00 -1.57 0.00 0.00 179.24 177.72 3h18 n GLN 131 N -3.07 0.76 -2.81 3.56 1.13 -0.73 -4.91 117.38 111.30 3h18 n GLN 131 Ca 0.03 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.00 3h18 n GLN 131 Cb 0.57 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.44 3h18 n GLN 131 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h18 n GLY 132 N 1.08 0.29 3.73 1.08 0.00 -0.40 -5.05 105.19 105.91 3h18 n GLY 132 Ca 0.20 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3h18 n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h18 s PHE 133 N -3.01 3.74 -0.09 1.61 0.40 -1.12 -5.03 117.98 114.48 3h18 s PHE 133 Ca 0.20 1.67 -0.19 0.00 -0.60 0.00 0.00 56.93 58.01 3h18 s PHE 133 Cb -0.09 -3.01 -0.04 0.00 0.51 0.00 0.00 43.02 40.39 3h18 s PHE 133 CO 0.25 0.16 0.53 0.15 0.70 0.00 0.00 175.22 177.00 3h18 s LYS 134 N 0.30 4.33 0.37 0.44 1.02 -1.26 -4.32 119.74 120.63 3h18 s LYS 134 Ca 0.46 0.56 0.21 0.00 0.02 0.00 0.00 55.97 57.22 3h18 s LYS 134 Cb -0.22 -3.41 1.30 0.00 -0.52 0.00 0.00 37.83 34.98 3h18 s LYS 134 CO 0.27 0.20 1.61 -1.35 -0.92 0.00 0.00 175.35 175.15 3h18 h PRO 135 N 6.48 0.09 0.00 -1.68 0.11 -1.94 2.68 132.00 137.75 3h18 h PRO 135 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3h18 h PRO 135 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3h18 h PRO 135 CO 0.74 0.06 0.00 -0.56 -0.21 0.00 0.00 178.00 178.03 3h18 h GLN 136 N 0.09 0.00 -0.57 1.05 -0.00 -1.90 0.40 115.11 114.19 3h18 h GLN 136 Ca 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.47 3h18 h GLN 136 Cb 2.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.65 3h18 h GLN 136 CO -0.68 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 178.87 3h18 n HIS 137 N -2.39 0.82 -4.43 0.06 8.25 0.90 -4.57 115.22 113.87 3h18 n HIS 137 Ca 0.02 -0.39 -0.30 0.00 -0.26 0.00 0.00 57.72 56.79 3h18 n HIS 137 Cb 0.24 -0.05 -0.12 0.00 1.12 0.00 0.00 29.99 31.19 3h18 n HIS 137 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3h18 s LEU 138 N -1.12 2.75 0.09 2.41 1.43 0.11 -2.52 118.68 121.83 3h18 s LEU 138 Ca 0.37 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 3h18 s LEU 138 Cb 0.20 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 3h18 s LEU 138 CO 0.23 0.21 -0.13 -0.55 0.23 0.00 0.00 176.35 176.34 3h18 s SER 139 N -1.86 1.71 -0.04 2.29 0.15 -0.86 -0.62 113.70 114.47 3h18 s SER 139 Ca 0.17 -0.69 0.03 0.00 0.70 0.00 0.00 55.95 56.16 3h18 s SER 139 Cb -0.11 -0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.16 3h18 s SER 139 CO 0.09 -0.12 -0.11 -0.51 1.20 0.00 0.00 173.24 173.78 3h18 s ILE 140 N -1.66 1.01 0.12 6.45 2.07 -1.19 -1.31 121.20 126.69 3h18 s ILE 140 Ca 0.02 -0.46 -0.11 0.00 -1.41 0.00 0.00 60.65 58.68 3h18 s ILE 140 Cb -0.08 -0.90 0.01 0.00 0.13 0.00 0.00 42.46 41.62 3h18 s ILE 140 CO 0.02 0.31 0.29 -0.55 -1.91 0.00 0.00 174.94 173.10 3h18 s SER 141 N 0.32 -0.02 -0.30 4.50 0.15 -0.53 -0.97 113.70 116.84 3h18 s SER 141 Ca -0.07 -0.59 -0.29 0.00 0.70 0.00 0.00 55.95 55.71 3h18 s SER 141 Cb -0.11 0.41 0.20 0.00 -1.71 0.00 0.00 66.02 64.81 3h18 s SER 141 CO 0.02 -0.82 1.40 -0.83 1.20 0.00 0.00 173.24 174.21 3h18 s GLY 142 N -2.87 0.12 -0.11 9.45 0.00 -1.14 -1.35 107.32 111.42 3h18 s GLY 142 Ca 0.07 2.90 -0.00 0.00 0.00 0.00 0.00 44.72 47.69 3h18 s GLY 142 CO -0.09 1.11 -0.10 0.51 0.00 0.00 0.00 173.10 174.53 3h18 s ASP 143 N -1.02 4.32 1.53 1.64 1.47 -0.91 -0.83 116.67 122.87 3h18 s ASP 143 Ca 0.10 -0.21 0.00 0.00 1.18 0.00 0.00 52.55 53.62 3h18 s ASP 143 Cb -0.01 -1.48 0.00 0.00 -0.34 0.00 0.00 42.92 41.09 3h18 s ASP 143 CO -0.09 0.22 0.00 -0.24 0.68 0.00 0.00 175.17 175.75 3h18 n SER 144 N 3.14 0.00 -0.33 2.11 2.88 0.19 -0.45 113.62 121.16 3h18 n SER 144 Ca -0.18 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.45 3h18 n SER 144 Cb 0.53 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.24 3h18 n SER 144 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h18 h ALA 145 N -0.53 1.44 0.00 -1.46 0.00 -1.83 0.41 119.26 117.29 3h18 h ALA 145 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3h18 h ALA 145 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3h18 h ALA 145 CO 0.00 0.02 -0.11 0.78 0.00 0.00 0.00 179.25 179.94 3h18 h GLY 146 N 0.77 0.00 1.75 0.00 0.00 -0.70 -1.38 103.07 103.52 3h18 h GLY 146 Ca 0.50 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.65 3h18 h GLY 146 CO -0.33 0.00 -0.76 -1.33 0.00 0.00 0.00 176.54 174.12 3h18 h GLY 147 N 2.37 0.26 0.71 4.60 0.00 -0.90 -1.61 103.07 108.50 3h18 h GLY 147 Ca -0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 3h18 h GLY 147 CO 0.01 0.35 -0.15 -1.33 0.00 0.00 0.00 176.54 175.42 3h18 h GLY 148 N 1.64 0.35 -0.13 4.60 0.00 -1.13 -3.21 103.07 105.19 3h18 h GLY 148 Ca -0.03 -0.37 0.24 0.00 0.00 0.00 0.00 47.33 47.17 3h18 h GLY 148 CO 0.12 0.33 0.56 -2.00 0.00 0.00 0.00 176.54 175.55 3h18 h LEU 149 N -0.08 0.62 -0.83 3.11 6.46 -1.26 0.18 115.31 123.50 3h18 h LEU 149 Ca 0.02 0.14 0.21 0.00 -0.12 0.00 0.00 57.88 58.12 3h18 h LEU 149 Cb 0.69 0.04 -0.13 0.00 -0.73 0.00 0.00 40.66 40.53 3h18 h LEU 149 CO 0.04 0.10 0.17 0.58 -0.62 0.00 0.00 178.44 178.70 3h18 h VAL 150 N 0.56 0.35 0.13 1.05 2.07 -1.29 0.12 116.25 119.25 3h18 h VAL 150 Ca 0.62 -0.07 -0.25 0.00 0.82 0.00 0.00 66.70 67.83 3h18 h VAL 150 Cb 1.17 0.14 0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3h18 h VAL 150 CO -0.48 0.04 -1.05 -0.07 0.02 0.00 0.00 177.57 176.03 3h18 h LEU 151 N 0.19 0.69 -0.31 2.57 -0.00 -0.82 -1.97 115.31 115.66 3h18 h LEU 151 Ca 0.49 -0.87 -0.02 0.00 -0.00 0.00 0.00 57.88 57.48 3h18 h LEU 151 Cb 0.94 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.37 3h18 h LEU 151 CO -0.64 1.50 0.11 0.00 -0.00 0.00 0.00 178.44 179.41 3h18 h ALA 152 N 0.20 0.40 -0.96 1.53 0.00 -0.41 0.11 119.26 120.12 3h18 h ALA 152 Ca -0.17 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.64 3h18 h ALA 152 Cb 1.78 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.39 3h18 h ALA 152 CO 0.20 0.01 0.63 0.28 0.00 0.00 0.00 179.25 180.37 3h18 h VAL 153 N 0.34 1.17 0.57 0.00 2.07 -0.82 -0.25 116.25 119.33 3h18 h VAL 153 Ca 0.10 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3h18 h VAL 153 Cb 0.21 -0.16 0.01 0.00 -1.52 0.00 0.00 31.29 29.83 3h18 h VAL 153 CO -0.01 0.22 -0.27 -0.07 0.02 0.00 0.00 177.57 177.46 3h18 h LEU 154 N 1.22 -0.65 -0.66 2.57 3.38 -0.51 -0.04 115.31 120.62 3h18 h LEU 154 Ca 0.38 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.48 3h18 h LEU 154 Cb -0.00 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 40.79 3h18 h LEU 154 CO -0.12 -0.43 -0.38 0.58 0.09 0.00 0.00 178.44 178.18 3h18 h VAL 155 N -0.83 0.11 -0.16 1.22 2.07 -1.06 0.54 116.25 118.14 3h18 h VAL 155 Ca -0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.49 3h18 h VAL 155 Cb 0.59 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 3h18 h VAL 155 CO 0.13 0.00 -0.16 -1.28 0.02 0.00 0.00 177.57 176.28 3h18 h SER 156 N -0.15 -0.51 -0.43 0.57 0.87 -1.04 -0.39 113.55 112.46 3h18 h SER 156 Ca 0.23 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 3h18 h SER 156 Cb 0.56 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 3h18 h SER 156 CO -0.74 -0.21 0.22 0.00 -0.53 0.00 0.00 176.83 175.58 3h18 h ALA 157 N 0.89 1.51 -0.29 6.23 0.00 -0.61 -1.79 119.26 125.20 3h18 h ALA 157 Ca 0.11 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3h18 h ALA 157 Cb 0.34 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h18 h ALA 157 CO -0.27 0.39 -0.36 -0.09 0.00 0.00 0.00 179.25 178.92 3h18 h ARG 158 N 0.66 0.75 -0.22 0.00 2.43 -0.43 0.13 114.38 117.69 3h18 h ARG 158 Ca 0.16 -0.42 0.06 0.00 -0.81 0.00 0.00 59.98 58.98 3h18 h ARG 158 Cb 0.08 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3h18 h ARG 158 CO -0.02 1.05 0.19 -0.44 -1.51 0.00 0.00 179.97 179.24 3h18 h ASP 159 N 0.50 0.00 -0.08 -3.80 3.32 -0.74 -2.78 116.42 112.85 3h18 h ASP 159 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3h18 h ASP 159 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3h18 h ASP 159 CO 0.09 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 3h18 n GLN 160 N -4.13 2.02 -0.06 3.56 6.02 -0.70 -4.91 117.38 119.18 3h18 n GLN 160 Ca 0.02 -1.50 0.00 0.00 -0.01 0.00 0.00 57.00 55.52 3h18 n GLN 160 Cb 0.33 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3h18 n GLN 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h18 n GLY 161 N 1.27 0.97 3.83 1.08 0.00 -1.05 -5.07 105.19 106.22 3h18 n GLY 161 Ca 0.17 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3h18 n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h18 s LEU 162 N 0.00 4.35 0.41 0.99 1.43 0.40 -5.02 118.68 121.24 3h18 s LEU 162 Ca 0.00 1.23 -0.24 0.00 -1.03 0.00 0.00 54.13 54.08 3h18 s LEU 162 Cb 0.00 -3.38 -0.08 0.00 0.03 0.00 0.00 46.19 42.75 3h18 s LEU 162 CO 0.00 0.08 1.12 -2.16 0.23 0.00 0.00 176.35 175.63 3h18 s PRO 163 N -1.93 4.03 0.41 1.29 0.04 -1.26 -4.50 135.00 133.10 3h18 s PRO 163 Ca 0.39 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 62.90 3h18 s PRO 163 Cb -0.16 -2.58 -0.08 0.00 0.04 0.00 0.00 34.50 31.72 3h18 s PRO 163 CO 0.20 -0.30 1.18 -1.64 0.04 0.00 0.00 177.00 176.47 3h18 s MET 164 N -2.44 3.98 0.88 4.56 -1.94 -1.26 -4.98 119.30 118.10 3h18 s MET 164 Ca 0.59 1.84 -0.15 0.00 -1.71 0.00 0.00 55.69 56.26 3h18 s MET 164 Cb -0.27 -2.62 0.21 0.00 2.01 0.00 0.00 34.83 34.16 3h18 s MET 164 CO 0.34 -0.38 0.95 -0.35 -0.01 0.00 0.00 175.02 175.56 3h18 n PRO 165 N -0.05 -1.96 0.11 2.03 -0.04 -1.26 -4.62 135.00 129.20 3h18 n PRO 165 Ca 0.05 -1.49 -0.04 0.00 -0.04 0.00 0.00 63.50 61.98 3h18 n PRO 165 Cb 0.47 -1.20 0.08 0.00 -0.04 0.00 0.00 33.50 32.81 3h18 n PRO 165 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h18 h ALA 166 N -2.26 0.78 -2.95 0.55 0.00 -0.68 -3.43 119.26 111.27 3h18 h ALA 166 Ca -0.33 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 53.85 3h18 h ALA 166 Cb 0.97 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3h18 h ALA 166 CO 0.22 0.87 0.07 -1.54 0.00 0.00 0.00 179.25 178.88 3h18 s SER 167 N -6.84 0.18 -0.20 0.00 1.04 -1.24 -4.11 113.70 102.52 3h18 s SER 167 Ca -0.01 -1.10 -0.11 0.00 0.48 0.00 0.00 55.95 55.20 3h18 s SER 167 Cb 0.12 0.73 0.07 0.00 0.10 0.00 0.00 66.02 67.03 3h18 s SER 167 CO 0.79 -1.43 0.49 0.00 0.98 0.00 0.00 173.24 174.07 3h18 s ALA 168 N -3.11 -1.30 -0.58 5.32 0.00 -0.18 -3.19 121.76 118.73 3h18 s ALA 168 Ca 0.20 1.79 0.02 0.00 0.00 0.00 0.00 51.96 53.97 3h18 s ALA 168 Cb -0.03 -1.09 0.15 0.00 0.00 0.00 0.00 23.12 22.15 3h18 s ALA 168 CO 0.12 -0.31 0.35 0.42 0.00 0.00 0.00 175.76 176.35 3h18 s ILE 169 N 1.51 3.02 -0.01 0.00 1.09 -0.15 -2.02 121.20 124.64 3h18 s ILE 169 Ca -0.10 -3.32 -0.30 0.00 -1.10 0.00 0.00 60.65 55.83 3h18 s ILE 169 Cb -0.08 -3.03 -0.04 0.00 -1.06 0.00 0.00 42.46 38.26 3h18 s ILE 169 CO -0.15 -0.85 1.15 -2.16 -0.10 0.00 0.00 174.94 172.83 3h18 s PRO 170 N -0.37 4.42 -0.18 2.79 0.04 -1.17 -2.86 135.00 137.67 3h18 s PRO 170 Ca 0.18 1.65 -0.06 0.00 0.04 0.00 0.00 61.00 62.81 3h18 s PRO 170 Cb -0.22 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 3h18 s PRO 170 CO -0.03 -0.31 0.02 0.42 0.04 0.00 0.00 177.00 177.14 3h18 s ILE 171 N 1.60 4.30 -1.52 0.56 1.01 -0.01 -2.72 121.20 124.42 3h18 s ILE 171 Ca 0.56 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.96 3h18 s ILE 171 Cb -0.25 -2.92 0.04 0.00 0.01 0.00 0.00 42.46 39.33 3h18 s ILE 171 CO 0.25 0.46 0.10 -1.20 0.00 0.00 0.00 174.94 174.55 3h18 n SER 172 N 3.74 0.45 -4.68 3.58 7.64 0.11 -0.64 113.62 123.83 3h18 n SER 172 Ca -0.17 -1.20 -0.43 0.00 1.01 0.00 0.00 58.87 58.08 3h18 n SER 172 Cb 0.52 -1.50 -0.01 0.00 -1.01 0.00 0.00 64.21 62.21 3h18 n SER 172 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3h18 n PRO 173 N -4.30 1.94 -3.51 1.43 -0.04 -1.26 -2.96 135.00 126.29 3h18 n PRO 173 Ca -0.24 0.68 -0.42 0.00 -0.04 0.00 0.00 63.50 63.49 3h18 n PRO 173 Cb 0.62 -2.24 -0.08 0.00 -0.04 0.00 0.00 33.50 31.77 3h18 n PRO 173 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3h18 s TRP 174 N -1.11 3.41 -0.19 0.54 -0.00 0.13 -4.57 118.94 117.15 3h18 s TRP 174 Ca 0.57 -1.81 0.13 0.00 -0.00 0.00 0.00 56.10 54.98 3h18 s TRP 174 Cb -0.58 -3.55 0.39 0.00 -0.00 0.00 0.00 33.47 29.73 3h18 s TRP 174 CO 0.61 -1.00 1.20 0.00 -0.00 0.00 0.00 176.95 177.77 3h18 n ALA 175 N 4.90 3.35 -3.19 5.86 0.00 -1.26 -3.80 120.51 126.36 3h18 n ALA 175 Ca -0.08 -3.14 0.01 0.00 0.00 0.00 0.00 53.44 50.24 3h18 n ALA 175 Cb 0.41 -0.37 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 3h18 n ALA 175 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h18 s ASP 176 N -3.13 -1.43 0.00 0.00 -1.08 -1.26 -1.74 116.67 108.03 3h18 s ASP 176 Ca 0.36 -0.38 0.06 0.00 -0.52 0.00 0.00 52.55 52.08 3h18 s ASP 176 Cb 0.35 1.93 0.29 0.00 -1.46 0.00 0.00 42.92 44.02 3h18 s ASP 176 CO -0.05 -0.23 1.10 0.23 0.52 0.00 0.00 175.17 176.73 3h18 n MET 177 N 4.87 0.05 0.17 4.34 2.81 -1.26 -3.45 117.12 124.66 3h18 n MET 177 Ca 0.08 0.29 0.11 0.00 -1.81 0.00 0.00 57.70 56.37 3h18 n MET 177 Cb 0.55 -1.50 0.09 0.00 -0.71 0.00 0.00 33.22 31.65 3h18 n MET 177 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3h18 h THR 178 N 0.00 0.09 -6.06 2.03 1.35 -1.96 -3.46 112.91 104.89 3h18 h THR 178 Ca 0.00 -1.14 -0.41 0.00 -0.55 0.00 0.00 66.41 64.31 3h18 h THR 178 Cb 0.07 1.87 0.07 0.00 -1.73 0.00 0.00 68.15 68.44 3h18 h THR 178 CO 0.00 0.05 -0.86 0.00 -0.25 0.00 0.00 175.52 174.46 3h18 n THR 180 N -4.15 0.00 -0.91 0.00 -2.24 -1.26 -5.03 114.28 100.69 3h18 n THR 180 Ca -0.24 -0.48 -0.32 0.00 -2.27 0.00 0.00 64.05 60.74 3h18 n THR 180 Cb 0.66 1.01 0.15 0.00 -2.10 0.00 0.00 70.33 70.04 3h18 n THR 180 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3h18 s ASN 181 N -0.82 3.24 0.19 3.42 0.02 -1.26 -4.94 114.94 114.80 3h18 s ASN 181 Ca 0.01 2.29 -0.12 0.00 -1.02 0.00 0.00 52.86 54.02 3h18 s ASN 181 Cb 0.01 -2.58 0.11 0.00 0.02 0.00 0.00 41.25 38.81 3h18 s ASN 181 CO 0.03 -2.90 1.86 0.44 0.02 0.00 0.00 177.10 176.56 3h18 h ASP 182 N -1.37 0.75 0.26 -1.22 3.45 -1.97 -3.08 116.42 113.23 3h18 h ASP 182 Ca -0.45 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 56.99 3h18 h ASP 182 Cb 1.28 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 3h18 h ASP 182 CO 0.44 0.54 0.00 0.77 -1.57 0.00 0.00 179.24 179.42 3h18 h SER 183 N 0.88 0.00 -0.42 6.45 4.64 -1.92 0.38 113.55 123.55 3h18 h SER 183 Ca 0.24 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 3h18 h SER 183 Cb -0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 3h18 h SER 183 CO -0.05 0.00 0.21 -0.26 -0.87 0.00 0.00 176.83 175.86 3h18 h PHE 184 N 0.00 0.64 0.00 4.77 -1.00 -1.44 -0.66 116.94 119.25 3h18 h PHE 184 Ca 0.00 -0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.68 3h18 h PHE 184 Cb 0.13 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 3h18 h PHE 184 CO 0.00 0.48 -0.95 1.63 -1.61 0.00 0.00 178.31 177.87 3h18 n LYS 185 N -4.38 0.50 0.09 1.51 5.02 0.11 -4.29 118.16 116.72 3h18 n LYS 185 Ca 0.04 0.43 -0.12 0.00 -2.02 0.00 0.00 58.31 56.63 3h18 n LYS 185 Cb 0.13 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.47 3h18 n LYS 185 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3h18 h THR 186 N -1.00 0.74 -0.17 -0.18 1.35 -0.97 -3.15 112.91 109.53 3h18 h THR 186 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3h18 h THR 186 Cb 0.87 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3h18 h THR 186 CO -0.07 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.74 3h18 n ARG 187 N -5.23 1.58 0.10 4.72 5.12 -0.26 -4.35 116.66 118.34 3h18 n ARG 187 Ca -0.07 -0.70 0.12 0.00 -1.93 0.00 0.00 57.85 55.27 3h18 n ARG 187 Cb 0.15 -1.30 0.11 0.00 -1.16 0.00 0.00 32.46 30.26 3h18 n ARG 187 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h18 h ALA 188 N 3.10 0.61 0.00 7.54 0.00 -1.60 -3.03 119.26 125.88 3h18 h ALA 188 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3h18 h ALA 188 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3h18 h ALA 188 CO 0.04 0.00 -0.46 1.49 0.00 0.00 0.00 179.25 180.32 3h18 h GLU 189 N 0.00 0.00 0.00 0.00 4.81 -1.81 -3.33 114.58 114.24 3h18 h GLU 189 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3h18 h GLU 189 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3h18 h GLU 189 CO 0.00 0.32 -0.75 0.00 -0.73 0.00 0.00 179.01 177.85 3h18 n ALA 190 N -2.20 3.55 -2.51 2.92 0.00 -1.21 -4.81 120.51 116.25 3h18 n ALA 190 Ca 0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 3h18 n ALA 190 Cb 0.68 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 3h18 n ALA 190 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h18 s ASP 191 N -3.49 6.76 0.00 0.00 -1.08 -1.15 -4.75 116.67 112.97 3h18 s ASP 191 Ca 0.07 1.12 0.05 0.00 -0.52 0.00 0.00 52.55 53.27 3h18 s ASP 191 Cb 0.16 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 39.35 3h18 s ASP 191 CO 0.76 -1.02 0.66 -2.65 0.52 0.00 0.00 175.17 173.44 3h18 n PRO 192 N 7.18 0.34 -2.71 4.34 -0.02 -1.26 -4.99 135.00 137.88 3h18 n PRO 192 Ca 0.14 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.54 3h18 n PRO 192 Cb 0.47 -1.21 0.10 0.00 -0.02 0.00 0.00 33.50 32.84 3h18 n PRO 192 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3h18 n MET 193 N -0.71 1.07 -2.58 -0.52 0.00 -1.26 -4.45 117.12 108.66 3h18 n MET 193 Ca 0.03 -1.84 -0.33 0.00 0.00 0.00 0.00 57.70 55.56 3h18 n MET 193 Cb 0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 33.22 32.61 3h18 n MET 193 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3h18 s GLY 197 N -1.20 2.36 0.27 -5.12 0.00 -1.26 -5.09 107.32 97.27 3h18 s GLY 197 Ca 0.22 0.44 -0.03 0.00 0.00 0.00 0.00 44.72 45.35 3h18 s GLY 197 CO -0.07 0.74 1.86 -1.33 0.00 0.00 0.00 173.10 174.30 3h18 h GLY 198 N 1.49 1.09 2.00 0.20 0.00 -2.01 -2.41 103.07 103.44 3h18 h GLY 198 Ca -0.49 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.30 3h18 h GLY 198 CO 0.60 0.52 -0.01 1.19 0.00 0.00 0.00 176.54 178.83 3h18 h ILE 199 N 1.01 0.03 -0.00 2.60 2.10 -2.00 -2.64 117.51 118.60 3h18 h ILE 199 Ca 0.24 -0.64 -0.16 0.00 1.08 0.00 0.00 64.86 65.38 3h18 h ILE 199 Cb 0.13 1.62 -0.02 0.00 -1.09 0.00 0.00 36.82 37.47 3h18 h ILE 199 CO -0.03 0.01 -0.76 0.78 -1.08 0.00 0.00 178.15 177.07 3h18 h ASN 200 N 0.00 0.07 0.62 2.19 2.35 -1.84 -2.60 115.58 116.36 3h18 h ASN 200 Ca -0.00 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 3h18 h ASN 200 Cb 0.62 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3h18 h ASN 200 CO 0.00 0.80 -0.29 0.50 -1.65 0.00 0.00 177.43 176.80 3h18 h LYS 201 N 0.03 0.00 0.00 0.81 1.63 -1.40 -1.64 116.57 116.01 3h18 h LYS 201 Ca -0.01 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.58 3h18 h LYS 201 Cb 1.35 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.95 3h18 h LYS 201 CO 0.10 0.29 -0.99 0.52 -3.45 0.00 0.00 179.45 175.92 3h18 h MET 202 N 0.00 0.00 -0.64 1.90 2.86 -1.53 -1.11 114.93 116.41 3h18 h MET 202 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3h18 h MET 202 Cb 0.67 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 3h18 h MET 202 CO 0.04 0.99 0.24 0.00 1.06 0.00 0.00 176.91 179.24 3h18 h ALA 203 N 1.01 0.84 -0.82 6.32 0.00 -1.03 -0.71 119.26 124.87 3h18 h ALA 203 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3h18 h ALA 203 Cb 1.75 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 3h18 h ALA 203 CO 0.13 0.47 0.45 0.00 0.00 0.00 0.00 179.25 180.30 3h18 h ALA 204 N 1.10 1.25 0.04 0.00 0.00 -1.16 0.29 119.26 120.78 3h18 h ALA 204 Ca 0.21 -0.12 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 3h18 h ALA 204 Cb 0.23 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.72 3h18 h ALA 204 CO -0.01 0.61 -1.11 0.00 0.00 0.00 0.00 179.25 178.73 3h18 h ARG 205 N 1.15 0.68 0.03 0.00 3.08 -1.04 -1.61 114.38 116.65 3h18 h ARG 205 Ca 0.29 -0.78 -0.00 0.00 0.07 0.00 0.00 59.98 59.56 3h18 h ARG 205 Cb 0.02 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3h18 h ARG 205 CO -0.05 1.34 -0.01 -0.92 -1.07 0.00 0.00 179.97 179.26 3h18 h TYR 206 N 0.36 -0.03 0.03 3.04 3.20 -0.76 -3.37 116.97 119.44 3h18 h TYR 206 Ca -0.15 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 3h18 h TYR 206 Cb 1.77 0.01 0.00 0.00 1.54 0.00 0.00 36.73 40.05 3h18 h TYR 206 CO 0.11 0.23 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.77 3h18 h LEU 207 N -0.29 -0.04 -1.98 2.82 3.38 -0.52 0.60 115.31 119.29 3h18 h LEU 207 Ca -0.00 -0.45 -0.33 0.00 0.09 0.00 0.00 57.88 57.18 3h18 h LEU 207 Cb 0.27 0.01 0.15 0.00 0.09 0.00 0.00 40.66 41.18 3h18 h LEU 207 CO 0.01 0.44 -0.82 -3.20 0.09 0.00 0.00 178.44 174.96 3h18 n ASN 208 N -4.88 -3.26 0.00 -0.43 5.15 -0.61 -1.90 115.26 109.33 3h18 n ASN 208 Ca -0.08 -0.71 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 3h18 n ASN 208 Cb 0.25 -4.83 0.00 0.00 -0.53 0.00 0.00 39.78 34.67 3h18 n ASN 208 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h18 n GLY 209 N -1.28 0.77 3.81 8.20 0.00 -1.26 -5.06 105.19 110.36 3h18 n GLY 209 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 3h18 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h18 s ALA 210 N -3.23 2.73 -0.33 4.61 0.00 -0.80 -4.96 121.76 119.79 3h18 s ALA 210 Ca 0.00 0.34 -0.40 0.00 0.00 0.00 0.00 51.96 51.90 3h18 s ALA 210 Cb 0.00 -3.22 -0.16 0.00 0.00 0.00 0.00 23.12 19.74 3h18 s ALA 210 CO 0.00 -0.87 1.84 -3.47 0.00 0.00 0.00 175.76 173.27 3h18 n ASP 211 N -2.19 2.13 0.00 0.00 -0.08 -1.26 -4.83 116.55 110.32 3h18 n ASP 211 Ca 0.09 0.94 0.12 0.00 -1.51 0.00 0.00 54.79 54.42 3h18 n ASP 211 Cb 0.53 -1.12 0.58 0.00 2.34 0.00 0.00 41.12 43.45 3h18 n ASP 211 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3h18 n ALA 212 N 6.21 2.19 -0.98 -1.67 0.00 -1.26 -2.05 120.51 122.96 3h18 n ALA 212 Ca 0.32 -0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.72 3h18 n ALA 212 Cb 0.12 -1.39 0.32 0.00 0.00 0.00 0.00 19.45 18.49 3h18 n ALA 212 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h18 n LYS 213 N -1.34 3.68 -2.43 0.00 5.02 -1.26 -4.10 118.16 117.72 3h18 n LYS 213 Ca 0.10 -2.99 -0.42 0.00 -2.02 0.00 0.00 58.31 52.98 3h18 n LYS 213 Cb 0.22 -2.02 -0.03 0.00 -0.02 0.00 0.00 35.03 33.18 3h18 n LYS 213 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3h18 s HIS 214 N -2.83 3.12 0.29 2.13 2.46 -0.87 -4.83 115.29 114.75 3h18 s HIS 214 Ca 0.48 1.16 0.02 0.00 0.47 0.00 0.00 55.06 57.18 3h18 s HIS 214 Cb 0.38 -3.45 0.70 0.00 -0.13 0.00 0.00 32.58 30.08 3h18 s HIS 214 CO 0.11 -1.46 1.67 -1.35 -2.47 0.00 0.00 174.74 171.24 3h18 h PRO 215 N 7.58 0.27 0.00 2.88 0.11 -1.84 0.32 132.00 141.32 3h18 h PRO 215 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3h18 h PRO 215 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3h18 h PRO 215 CO 0.89 0.18 0.00 1.88 -0.21 0.00 0.00 178.00 180.74 3h18 h TYR 216 N 0.28 0.00 0.10 0.65 0.99 -1.90 -2.65 116.97 114.43 3h18 h TYR 216 Ca 0.55 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.94 3h18 h TYR 216 Cb 1.07 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.78 3h18 h TYR 216 CO -0.21 0.00 -1.85 0.00 -0.00 0.00 0.00 178.16 176.10 3h18 n ALA 217 N -1.82 0.87 -3.75 3.88 0.00 0.85 -4.73 120.51 115.81 3h18 n ALA 217 Ca 0.04 -0.58 -0.29 0.00 0.00 0.00 0.00 53.44 52.62 3h18 n ALA 217 Cb 0.38 -0.64 -0.12 0.00 0.00 0.00 0.00 19.45 19.06 3h18 n ALA 217 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3h18 s SER 218 N -7.00 3.71 0.00 0.00 0.01 0.41 -4.54 113.70 106.30 3h18 s SER 218 Ca -0.24 -3.08 0.12 0.00 1.31 0.00 0.00 55.95 54.06 3h18 s SER 218 Cb 0.07 -1.19 0.51 0.00 0.21 0.00 0.00 66.02 65.62 3h18 s SER 218 CO 0.73 -0.20 1.37 -2.65 0.41 0.00 0.00 173.24 172.90 3h18 n PRO 219 N 2.95 0.01 0.07 12.44 -0.02 -1.00 -1.72 135.00 147.74 3h18 n PRO 219 Ca 0.14 0.29 0.08 0.00 -2.02 0.00 0.00 63.50 61.99 3h18 n PRO 219 Cb 0.36 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.69 3h18 n PRO 219 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3h18 n ASN 220 N -1.49 0.31 -0.57 2.55 4.13 -0.71 -2.92 115.26 116.56 3h18 n ASN 220 Ca 0.03 0.61 0.08 0.00 1.68 0.00 0.00 54.58 56.97 3h18 n ASN 220 Cb 0.13 -0.66 0.19 0.00 -1.54 0.00 0.00 39.78 37.90 3h18 n ASN 220 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3h18 n PHE 221 N -1.88 0.55 -3.77 3.10 3.01 -0.70 -4.93 117.46 112.84 3h18 n PHE 221 Ca 0.01 -0.81 -0.25 0.00 1.01 0.00 0.00 57.45 57.41 3h18 n PHE 221 Cb 0.11 -0.20 -0.03 0.00 -0.01 0.00 0.00 39.48 39.35 3h18 n PHE 221 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h18 s ALA 222 N -2.35 3.87 -0.24 4.37 0.00 -1.15 -4.70 121.76 121.55 3h18 s ALA 222 Ca 0.33 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 51.04 3h18 s ALA 222 Cb 0.26 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 3h18 s ALA 222 CO 0.08 0.37 1.40 1.21 0.00 0.00 0.00 175.76 178.82 3h18 s ASN 223 N -3.43 6.63 0.00 0.00 3.04 -1.26 -4.90 114.94 115.02 3h18 s ASN 223 Ca 0.37 1.45 0.24 0.00 0.04 0.00 0.00 52.86 54.96 3h18 s ASN 223 Cb -0.10 -2.54 0.31 0.00 -1.54 0.00 0.00 41.25 37.38 3h18 s ASN 223 CO 0.30 -1.07 1.33 0.18 -3.04 0.00 0.00 177.10 174.80 3h18 n LEU 224 N 7.67 3.06 -4.67 3.21 4.77 -1.26 -4.87 117.00 124.90 3h18 n LEU 224 Ca 0.16 -1.12 -0.43 0.00 -0.03 0.00 0.00 56.01 54.58 3h18 n LEU 224 Cb 0.46 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 3h18 n LEU 224 CO 0.62 0.56 1.54 1.17 -1.33 0.00 0.00 177.39 179.96 3h18 n LYS 225 N 1.33 2.72 0.00 3.23 0.00 -1.26 -2.78 118.16 121.40 3h18 n LYS 225 Ca 0.16 1.00 0.00 0.00 0.00 0.00 0.00 58.31 59.47 3h18 n LYS 225 Cb 0.59 -2.91 0.00 0.00 0.00 0.00 0.00 35.03 32.70 3h18 n LYS 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3h18 n GLY 226 N 4.42 3.00 3.72 3.14 0.00 -1.26 -5.10 105.19 113.11 3h18 n GLY 226 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3h18 n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h18 s LEU 227 N 0.00 3.36 0.79 0.99 1.43 -1.12 -4.93 118.68 119.19 3h18 s LEU 227 Ca 0.00 2.48 -0.08 0.00 -1.03 0.00 0.00 54.13 55.50 3h18 s LEU 227 Cb 0.00 -4.60 0.13 0.00 0.03 0.00 0.00 46.19 41.74 3h18 s LEU 227 CO 0.00 -2.31 1.10 -2.16 0.23 0.00 0.00 176.35 173.21 3h18 s PRO 228 N -3.77 1.55 0.20 1.29 0.04 -1.26 -4.77 135.00 128.27 3h18 s PRO 228 Ca 0.77 -0.59 -0.32 0.00 0.04 0.00 0.00 61.00 60.90 3h18 s PRO 228 Cb -0.33 -2.13 -0.15 0.00 0.04 0.00 0.00 34.50 31.94 3h18 s PRO 228 CO 0.45 -1.67 1.30 -2.30 0.04 0.00 0.00 177.00 174.82 3h18 n PRO 229 N -3.15 1.59 -4.10 0.56 -0.02 -1.26 -4.65 135.00 123.97 3h18 n PRO 229 Ca 0.12 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 3h18 n PRO 229 Cb 0.60 -2.15 -0.09 0.00 -0.02 0.00 0.00 33.50 31.84 3h18 n PRO 229 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3h18 s LEU 230 N 0.42 3.80 -0.13 2.45 1.02 0.10 -1.01 118.68 125.33 3h18 s LEU 230 Ca 0.72 0.13 0.01 0.00 0.02 0.00 0.00 54.13 55.01 3h18 s LEU 230 Cb -0.76 -1.93 -0.00 0.00 0.02 0.00 0.00 46.19 43.51 3h18 s LEU 230 CO 0.50 0.25 -0.18 -0.22 0.02 0.00 0.00 176.35 176.72 3h18 s LEU 231 N -0.07 2.39 -0.20 1.79 0.20 -0.86 -1.31 118.68 120.62 3h18 s LEU 231 Ca 0.06 -0.48 -0.01 0.00 0.69 0.00 0.00 54.13 54.40 3h18 s LEU 231 Cb -0.12 -1.52 0.05 0.00 -0.43 0.00 0.00 46.19 44.17 3h18 s LEU 231 CO 0.01 0.12 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.53 3h18 s ILE 232 N 0.60 1.11 -0.01 6.68 1.01 -0.11 -3.03 121.20 127.46 3h18 s ILE 232 Ca -0.10 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 59.57 3h18 s ILE 232 Cb -0.16 -1.41 -0.06 0.00 0.01 0.00 0.00 42.46 40.84 3h18 s ILE 232 CO 0.03 -0.05 0.39 -1.00 0.00 0.00 0.00 174.94 174.31 3h18 s HIS 233 N 1.60 3.72 0.08 3.97 3.76 -1.10 -0.93 115.29 126.39 3h18 s HIS 233 Ca -0.02 0.96 -0.26 0.00 -0.15 0.00 0.00 55.06 55.59 3h18 s HIS 233 Cb -0.17 -2.27 0.07 0.00 1.11 0.00 0.00 32.58 31.32 3h18 s HIS 233 CO -0.07 0.64 0.63 0.54 -0.85 0.00 0.00 174.74 175.63 3h18 s VAL 234 N -1.03 0.00 -0.11 -0.90 0.11 -1.20 0.03 120.40 117.31 3h18 s VAL 234 Ca 0.23 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.22 3h18 s VAL 234 Cb -0.16 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.65 3h18 s VAL 234 CO 0.13 0.00 0.14 -0.83 -3.33 0.00 0.00 175.10 171.21 3h18 s GLY 235 N -2.17 2.15 0.31 6.54 0.00 -1.26 -1.22 107.32 111.68 3h18 s GLY 235 Ca -0.03 -0.65 0.08 0.00 0.00 0.00 0.00 44.72 44.11 3h18 s GLY 235 CO -0.04 -0.40 1.73 -0.09 0.00 0.00 0.00 173.10 174.30 3h18 h ARG 236 N 4.91 0.58 -2.10 2.90 9.65 -1.30 -3.20 114.38 125.82 3h18 h ARG 236 Ca -0.55 -0.03 -0.66 0.00 -1.10 0.00 0.00 59.98 57.64 3h18 h ARG 236 Cb 1.23 -0.13 -0.21 0.00 -1.39 0.00 0.00 29.97 29.46 3h18 h ARG 236 CO 0.59 0.38 0.93 -0.25 2.80 0.00 0.00 179.97 184.42 3h18 n ASP 237 N -4.88 7.13 -3.86 -3.80 8.00 -0.86 -4.91 116.55 113.36 3h18 n ASP 237 Ca 0.26 -3.48 -0.11 0.00 0.71 0.00 0.00 54.79 52.16 3h18 n ASP 237 Cb 0.70 -1.18 -0.11 0.00 -0.02 0.00 0.00 41.12 40.50 3h18 n ASP 237 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3h18 s GLU 238 N -2.79 0.33 0.52 -1.24 -1.05 -1.21 -3.46 118.70 109.81 3h18 s GLU 238 Ca 0.54 -0.18 0.31 0.00 -0.15 0.00 0.00 54.97 55.49 3h18 s GLU 238 Cb 0.36 0.14 1.45 0.00 -0.44 0.00 0.00 34.13 35.65 3h18 s GLU 238 CO -0.27 -0.07 1.87 -0.24 0.95 0.00 0.00 175.26 177.50 3h18 h VAL 239 N 4.58 0.54 -0.64 1.83 3.04 -1.79 -2.27 116.25 121.54 3h18 h VAL 239 Ca -0.29 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3h18 h VAL 239 Cb 1.20 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 3h18 h VAL 239 CO 0.41 0.01 0.00 0.18 -1.01 0.00 0.00 177.57 177.16 3h18 n LEU 240 N -4.28 5.08 -0.24 3.16 4.77 -1.26 -2.99 117.00 121.24 3h18 n LEU 240 Ca 0.20 -2.57 -0.02 0.00 -0.03 0.00 0.00 56.01 53.59 3h18 n LEU 240 Cb 0.99 -0.62 0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3h18 n LEU 240 CO 0.38 0.77 0.66 0.25 -1.33 0.00 0.00 177.39 178.12 3h18 h LEU 241 N 4.13 -1.00 -0.80 2.23 6.46 -1.68 -2.87 115.31 121.79 3h18 h LEU 241 Ca 0.00 0.23 0.02 0.00 -0.12 0.00 0.00 57.88 58.01 3h18 h LEU 241 Cb 1.61 0.55 -0.04 0.00 -0.73 0.00 0.00 40.66 42.04 3h18 h LEU 241 CO 0.31 -0.28 0.52 0.44 -0.62 0.00 0.00 178.44 178.80 3h18 h ASP 242 N -0.09 0.88 -0.68 1.25 3.32 -1.87 -1.73 116.42 117.50 3h18 h ASP 242 Ca 0.29 -0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.46 3h18 h ASP 242 Cb 0.55 -0.21 -0.13 0.00 0.22 0.00 0.00 39.33 39.77 3h18 h ASP 242 CO -0.74 0.62 -0.21 0.44 -1.72 0.00 0.00 179.24 177.63 3h18 h ASP 243 N 1.03 -0.77 -0.30 6.45 3.45 -1.83 0.18 116.42 124.63 3h18 h ASP 243 Ca 0.31 0.22 -0.14 0.00 0.43 0.00 0.00 57.03 57.84 3h18 h ASP 243 Cb -0.06 0.47 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 3h18 h ASP 243 CO -0.09 -0.25 -0.33 0.28 -1.57 0.00 0.00 179.24 177.28 3h18 h SER 244 N -0.04 0.87 0.07 6.45 0.02 -1.38 0.17 113.55 119.72 3h18 h SER 244 Ca 0.32 -0.37 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 3h18 h SER 244 Cb 0.52 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3h18 h SER 244 CO -0.72 1.12 -0.20 0.40 -1.14 0.00 0.00 176.83 176.30 3h18 h ILE 245 N 0.70 1.21 0.00 3.27 2.04 -0.51 -2.33 117.51 121.89 3h18 h ILE 245 Ca 0.07 -0.96 -0.21 0.00 1.00 0.00 0.00 64.86 64.76 3h18 h ILE 245 Cb 0.89 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 3h18 h ILE 245 CO 0.08 0.29 -1.31 0.11 0.00 0.00 0.00 178.15 177.32 3h18 h LYS 246 N 0.22 0.00 -0.19 2.37 1.57 -0.53 -2.05 116.57 117.96 3h18 h LYS 246 Ca 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3h18 h LYS 246 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3h18 h LYS 246 CO 0.03 0.52 0.11 1.25 -0.57 0.00 0.00 179.45 180.79 3h18 h LEU 247 N 0.00 0.23 0.09 2.94 5.85 -0.58 -1.72 115.31 122.12 3h18 h LEU 247 Ca -0.15 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3h18 h LEU 247 Cb 1.74 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.71 3h18 h LEU 247 CO 0.08 0.22 -0.04 -0.78 -0.34 0.00 0.00 178.44 177.57 3h18 h ASP 248 N 0.22 -0.10 -0.90 1.25 3.58 -1.42 0.13 116.42 119.17 3h18 h ASP 248 Ca 0.07 -0.29 0.18 0.00 0.42 0.00 0.00 57.03 57.40 3h18 h ASP 248 Cb 0.03 0.03 -0.10 0.00 1.72 0.00 0.00 39.33 41.01 3h18 h ASP 248 CO -0.01 0.24 0.48 0.00 -2.88 0.00 0.00 179.24 177.07 3h18 h ALA 249 N 0.41 1.43 -0.41 -0.78 0.00 -1.44 0.65 119.26 119.12 3h18 h ALA 249 Ca -0.01 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3h18 h ALA 249 Cb 0.39 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3h18 h ALA 249 CO 0.02 -0.13 -0.34 -0.22 0.00 0.00 0.00 179.25 178.58 3h18 h LYS 250 N 0.62 0.95 0.03 0.00 1.63 -0.95 -2.52 116.57 116.33 3h18 h LYS 250 Ca 0.52 -0.47 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 3h18 h LYS 250 Cb 0.82 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.42 3h18 h LYS 250 CO -0.40 1.13 -0.15 0.00 -3.45 0.00 0.00 179.45 176.58 3h18 h ALA 251 N 0.79 -0.21 -0.56 5.00 0.00 -0.23 -0.09 119.26 123.97 3h18 h ALA 251 Ca 0.07 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3h18 h ALA 251 Cb 0.93 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 3h18 h ALA 251 CO 0.09 -0.66 -0.44 0.87 0.00 0.00 0.00 179.25 179.11 3h18 h LYS 252 N -0.27 -0.14 -0.79 0.00 1.79 -0.89 0.09 116.57 116.36 3h18 h LYS 252 Ca 0.04 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.68 3h18 h LYS 252 Cb 0.32 0.03 -0.15 0.00 -1.58 0.00 0.00 32.23 30.85 3h18 h LYS 252 CO -0.13 -0.09 -0.21 0.00 -1.08 0.00 0.00 179.45 177.94 3h18 h ALA 253 N -0.07 0.50 -0.20 3.86 0.00 -1.42 -2.75 119.26 119.17 3h18 h ALA 253 Ca 0.09 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3h18 h ALA 253 Cb 0.38 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3h18 h ALA 253 CO -0.60 -0.42 0.00 -0.25 0.00 0.00 0.00 179.25 177.98 3h18 n ASP 254 N -5.52 1.38 0.00 0.00 8.00 -0.05 -4.84 116.55 115.52 3h18 n ASP 254 Ca 0.11 -1.82 0.00 0.00 0.71 0.00 0.00 54.79 53.79 3h18 n ASP 254 Cb 0.40 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 3h18 n ASP 254 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h18 n GLY 255 N 1.00 0.67 3.79 0.44 0.00 -0.81 -4.02 105.19 106.25 3h18 n GLY 255 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3h18 n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h18 s VAL 256 N -2.00 4.28 -0.36 1.61 1.01 -0.63 -4.97 120.40 119.35 3h18 s VAL 256 Ca 0.00 1.73 -0.29 0.00 0.00 0.00 0.00 61.98 63.42 3h18 s VAL 256 Cb 0.00 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.39 3h18 s VAL 256 CO 0.00 0.18 1.24 -0.54 0.00 0.00 0.00 175.10 175.98 3h18 s LYS 257 N -1.98 3.86 0.10 2.72 -0.14 -1.26 -3.96 119.74 119.07 3h18 s LYS 257 Ca 0.48 1.03 0.05 0.00 -1.36 0.00 0.00 55.97 56.18 3h18 s LYS 257 Cb -0.19 -3.88 -0.03 0.00 -1.68 0.00 0.00 37.83 32.05 3h18 s LYS 257 CO 0.24 -1.19 -0.14 -1.12 -0.76 0.00 0.00 175.35 172.37 3h18 s SER 258 N 2.66 1.84 -0.28 2.83 0.01 -1.26 0.03 113.70 119.53 3h18 s SER 258 Ca 0.53 -0.72 0.01 0.00 1.31 0.00 0.00 55.95 57.08 3h18 s SER 258 Cb -0.13 -0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.10 3h18 s SER 258 CO 0.25 -0.11 -0.06 -0.89 0.41 0.00 0.00 173.24 172.83 3h18 s THR 259 N -1.74 2.48 0.10 1.44 2.01 -0.43 -4.98 115.64 114.53 3h18 s THR 259 Ca 0.04 -1.57 -0.23 0.00 0.31 0.00 0.00 61.69 60.24 3h18 s THR 259 Cb -0.07 -2.46 -0.07 0.00 0.01 0.00 0.00 72.50 69.91 3h18 s THR 259 CO 0.02 -0.08 0.70 -0.22 -0.69 0.00 0.00 174.62 174.35 3h18 s LEU 260 N 1.15 4.53 -0.19 4.42 0.20 -1.26 -0.93 118.68 126.60 3h18 s LEU 260 Ca -0.07 1.46 -0.04 0.00 0.69 0.00 0.00 54.13 56.17 3h18 s LEU 260 Cb -0.20 -3.14 0.06 0.00 -0.43 0.00 0.00 46.19 42.49 3h18 s LEU 260 CO -0.04 0.18 0.06 -1.61 -0.29 0.00 0.00 176.35 174.65 3h18 s GLU 261 N -0.83 0.42 -0.43 1.98 2.02 -0.10 -4.94 118.70 116.82 3h18 s GLU 261 Ca 0.34 -0.32 -0.26 0.00 0.02 0.00 0.00 54.97 54.75 3h18 s GLU 261 Cb -0.21 -1.97 0.02 0.00 0.10 0.00 0.00 34.13 32.07 3h18 s GLU 261 CO 0.23 -0.68 0.95 0.42 0.02 0.00 0.00 175.26 176.20 3h18 s ILE 262 N 1.96 4.48 -0.14 -1.63 1.01 -1.26 -3.20 121.20 122.42 3h18 s ILE 262 Ca 0.01 0.97 -0.22 0.00 0.00 0.00 0.00 60.65 61.41 3h18 s ILE 262 Cb -0.17 -4.42 -0.03 0.00 0.01 0.00 0.00 42.46 37.86 3h18 s ILE 262 CO -0.10 -0.75 0.68 0.26 0.00 0.00 0.00 174.94 175.03 3h18 s TRP 263 N 3.74 3.47 0.56 3.97 0.52 -0.36 -4.74 118.94 126.10 3h18 s TRP 263 Ca 0.39 1.10 -0.16 0.00 0.02 0.00 0.00 56.10 57.45 3h18 s TRP 263 Cb -0.10 -2.81 -0.06 0.00 -1.15 0.00 0.00 33.47 29.34 3h18 s TRP 263 CO 0.24 -0.05 1.02 -0.51 0.02 0.00 0.00 176.95 177.67 3h18 s ASP 264 N 0.98 6.19 0.00 2.95 1.01 -1.26 -1.34 116.67 125.21 3h18 s ASP 264 Ca 0.33 1.69 0.00 0.00 0.71 0.00 0.00 52.55 55.29 3h18 s ASP 264 Cb -0.17 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.24 3h18 s ASP 264 CO 0.14 -0.88 0.00 0.47 0.21 0.00 0.00 175.17 175.10 3h18 n ASP 265 N -1.82 -1.22 -4.88 0.27 8.00 -1.26 -4.86 116.55 110.78 3h18 n ASP 265 Ca 0.08 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.25 3h18 n ASP 265 Cb 0.53 -2.44 -0.05 0.00 -0.02 0.00 0.00 41.12 39.14 3h18 n ASP 265 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3h18 s MET 266 N -1.09 3.76 0.41 -1.24 -1.94 -1.18 -4.86 119.30 113.16 3h18 s MET 266 Ca 0.00 0.17 0.08 0.00 -1.71 0.00 0.00 55.69 54.23 3h18 s MET 266 Cb 0.00 -2.81 0.00 0.00 2.01 0.00 0.00 34.83 34.03 3h18 s MET 266 CO 0.00 0.43 0.54 0.96 -0.01 0.00 0.00 175.02 176.94 3h18 s ILE 267 N -1.64 3.09 -0.31 2.53 -4.36 -1.26 -2.03 121.20 117.22 3h18 s ILE 267 Ca 0.41 -1.04 -0.43 0.00 -0.26 0.00 0.00 60.65 59.34 3h18 s ILE 267 Cb -0.12 -3.05 -0.18 0.00 1.25 0.00 0.00 42.46 40.36 3h18 s ILE 267 CO 0.21 -0.02 1.57 1.57 0.24 0.00 0.00 174.94 178.51 3h18 n HIS 268 N -1.79 1.72 -4.06 1.37 -0.00 -1.26 -1.42 115.22 109.78 3h18 n HIS 268 Ca 0.07 0.87 -0.31 0.00 -0.00 0.00 0.00 57.72 58.34 3h18 n HIS 268 Cb 0.59 -2.31 -0.03 0.00 -0.00 0.00 0.00 29.99 28.24 3h18 n HIS 268 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3h18 n VAL 269 N 3.80 -2.72 0.33 3.57 0.31 -1.26 -4.76 118.33 117.60 3h18 n VAL 269 Ca 0.27 -0.58 0.22 0.00 -0.01 0.00 0.00 64.34 64.24 3h18 n VAL 269 Cb 0.05 -2.29 1.15 0.00 -0.91 0.00 0.00 33.84 31.84 3h18 n VAL 269 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 3h18 h TRP 270 N -1.96 0.00 -0.85 3.52 0.09 -1.65 0.48 115.95 115.58 3h18 h TRP 270 Ca -0.66 0.00 0.21 0.00 0.09 0.00 0.00 58.89 58.53 3h18 h TRP 270 Cb 1.39 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 30.57 3h18 h TRP 270 CO 0.46 0.00 0.58 0.45 0.09 0.00 0.00 178.44 180.02 3h18 h HIS 271 N 0.00 0.34 0.00 0.12 -0.00 -1.86 0.81 115.15 114.57 3h18 h HIS 271 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3h18 h HIS 271 Cb 0.06 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 3h18 h HIS 271 CO 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 177.93 178.02 3h18 n ALA 272 N -2.58 1.97 -1.10 2.45 0.00 0.16 -1.18 120.51 120.22 3h18 n ALA 272 Ca 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.54 3h18 n ALA 272 Cb 0.74 -1.32 0.27 0.00 0.00 0.00 0.00 19.45 19.14 3h18 n ALA 272 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h18 n PHE 273 N -1.42 1.66 -0.35 0.00 3.01 0.28 -4.59 117.46 116.06 3h18 n PHE 273 Ca 0.07 -1.15 0.33 0.00 1.01 0.00 0.00 57.45 57.70 3h18 n PHE 273 Cb 0.20 -0.52 0.60 0.00 -0.01 0.00 0.00 39.48 39.76 3h18 n PHE 273 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 3h18 h HIS 274 N 2.09 0.78 0.00 1.38 2.07 -1.25 0.19 115.15 120.41 3h18 h HIS 274 Ca 0.16 0.04 -0.01 0.00 -2.85 0.00 0.00 60.37 57.70 3h18 h HIS 274 Cb 1.89 -0.18 -0.00 0.00 2.57 0.00 0.00 27.41 31.69 3h18 h HIS 274 CO 0.96 -0.44 -0.06 -1.35 -3.07 0.00 0.00 177.93 173.97 3h18 h PRO 275 N 0.01 0.00 -0.00 5.12 0.11 -1.87 -3.11 132.00 132.26 3h18 h PRO 275 Ca 0.85 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.96 3h18 h PRO 275 Cb 2.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.44 3h18 h PRO 275 CO -0.72 0.06 -0.00 0.00 -0.21 0.00 0.00 178.00 177.13 3h18 n MET 276 N -4.46 0.14 -3.96 1.05 0.00 -0.72 -5.01 117.12 104.16 3h18 n MET 276 Ca -0.03 -0.47 -0.34 0.00 0.00 0.00 0.00 57.70 56.86 3h18 n MET 276 Cb 0.14 -0.95 -0.14 0.00 0.00 0.00 0.00 33.22 32.27 3h18 n MET 276 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 3h18 s LEU 277 N -0.32 3.31 0.21 3.17 2.96 0.58 -4.90 118.68 123.70 3h18 s LEU 277 Ca 0.01 -0.96 -0.09 0.00 -0.22 0.00 0.00 54.13 52.87 3h18 s LEU 277 Cb 0.01 -1.66 0.30 0.00 0.50 0.00 0.00 46.19 45.33 3h18 s LEU 277 CO 0.01 -0.15 1.75 -0.65 -1.32 0.00 0.00 176.35 175.99 3h18 h PRO 278 N 8.00 0.45 -0.07 0.98 0.11 -1.87 -1.63 132.00 137.97 3h18 h PRO 278 Ca -0.30 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.80 3h18 h PRO 278 Cb 1.10 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3h18 h PRO 278 CO 0.56 0.30 0.18 0.93 -0.21 0.00 0.00 178.00 179.76 3h18 h GLU 279 N 0.47 0.00 0.19 1.05 3.07 -1.96 -1.57 114.58 115.82 3h18 h GLU 279 Ca 0.32 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.92 3h18 h GLU 279 Cb 0.38 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.31 3h18 h GLU 279 CO -0.29 0.00 -1.19 0.78 -1.40 0.00 0.00 179.01 176.91 3h18 h GLY 280 N 0.00 0.45 1.08 -3.84 0.00 -1.55 -1.48 103.07 97.73 3h18 h GLY 280 Ca 0.03 -1.15 -0.15 0.00 0.00 0.00 0.00 47.33 46.07 3h18 h GLY 280 CO -0.00 1.01 -0.37 1.70 0.00 0.00 0.00 176.54 178.88 3h18 h LYS 281 N -0.14 0.86 0.00 4.80 3.11 -0.87 -2.88 116.57 121.45 3h18 h LYS 281 Ca -0.22 -0.46 -0.12 0.00 -2.81 0.00 0.00 60.65 57.04 3h18 h LYS 281 Cb 1.88 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 33.12 3h18 h LYS 281 CO 0.19 1.11 -0.55 -0.56 -2.81 0.00 0.00 179.45 176.82 3h18 h GLN 282 N 0.66 0.00 -0.07 1.90 3.07 -1.35 -1.55 115.11 117.77 3h18 h GLN 282 Ca 0.05 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.62 3h18 h GLN 282 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.51 3h18 h GLN 282 CO 0.09 0.55 -0.71 0.00 0.09 0.00 0.00 178.83 178.85 3h18 h ALA 283 N 1.45 0.65 -0.05 0.06 0.00 -1.24 -2.39 119.26 117.74 3h18 h ALA 283 Ca -0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 3h18 h ALA 283 Cb 1.34 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3h18 h ALA 283 CO 0.07 0.77 -0.03 0.82 0.00 0.00 0.00 179.25 180.89 3h18 h ILE 284 N 0.24 1.33 -0.94 0.00 2.04 -1.37 -2.01 117.51 116.79 3h18 h ILE 284 Ca -0.02 -1.04 0.26 0.00 1.00 0.00 0.00 64.86 65.06 3h18 h ILE 284 Cb 1.27 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 39.23 3h18 h ILE 284 CO 0.12 0.28 0.67 0.58 0.00 0.00 0.00 178.15 179.80 3h18 h VAL 285 N -0.29 0.55 0.00 1.67 2.07 -1.19 -1.41 116.25 117.65 3h18 h VAL 285 Ca 0.01 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 3h18 h VAL 285 Cb 0.46 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3h18 h VAL 285 CO 0.01 0.01 -1.10 -0.09 0.02 0.00 0.00 177.57 176.43 3h18 h ARG 286 N 0.08 0.00 -0.13 1.57 9.65 -1.17 -0.27 114.38 124.11 3h18 h ARG 286 Ca 0.46 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 59.23 3h18 h ARG 286 Cb 1.69 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.28 3h18 h ARG 286 CO -0.05 0.30 -0.35 0.28 2.80 0.00 0.00 179.97 182.96 3h18 h VAL 287 N 0.00 1.37 -0.03 0.20 2.07 -0.52 -0.80 116.25 118.54 3h18 h VAL 287 Ca -0.10 -1.64 -0.17 0.00 0.82 0.00 0.00 66.70 65.61 3h18 h VAL 287 Cb 1.45 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 3h18 h VAL 287 CO 0.04 0.49 -0.73 1.23 0.02 0.00 0.00 177.57 178.62 3h18 h GLY 288 N 0.05 0.20 0.91 2.17 0.00 -1.40 0.03 103.07 105.03 3h18 h GLY 288 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3h18 h GLY 288 CO 0.07 0.26 0.08 0.83 0.00 0.00 0.00 176.54 177.78 3h18 h GLU 289 N 0.12 0.23 -0.70 4.80 5.08 -1.02 -1.45 114.58 121.64 3h18 h GLU 289 Ca -0.02 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3h18 h GLU 289 Cb 1.29 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 3h18 h GLU 289 CO 0.11 0.27 0.24 0.35 -1.00 0.00 0.00 179.01 178.99 3h18 h PHE 290 N 0.13 1.09 0.00 4.33 3.04 -0.58 -1.36 116.94 123.59 3h18 h PHE 290 Ca 0.05 -0.09 -0.09 0.00 3.98 0.00 0.00 57.97 61.82 3h18 h PHE 290 Cb 0.12 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 3h18 h PHE 290 CO -0.03 0.85 -0.43 0.52 -2.02 0.00 0.00 178.31 177.20 3h18 h MET 291 N 1.03 0.00 0.09 1.11 0.00 -0.96 -2.49 114.93 113.71 3h18 h MET 291 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 59.70 59.68 3h18 h MET 291 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 31.84 3h18 h MET 291 CO -0.01 0.43 -1.18 0.00 0.00 0.00 0.00 176.91 176.15 3h18 h ARG 292 N 0.00 0.19 -0.79 1.72 3.08 -0.76 -2.29 114.38 115.52 3h18 h ARG 292 Ca -0.00 -0.32 0.13 0.00 0.07 0.00 0.00 59.98 59.86 3h18 h ARG 292 Cb 0.77 0.12 -0.13 0.00 0.08 0.00 0.00 29.97 30.80 3h18 h ARG 292 CO 0.06 1.15 -0.28 -1.91 -1.07 0.00 0.00 179.97 177.91 3h18 n GLU 293 N -3.47 -0.16 0.24 0.04 2.13 -0.56 -2.40 120.64 116.47 3h18 n GLU 293 Ca -0.06 1.22 0.13 0.00 0.66 0.00 0.00 57.16 59.11 3h18 n GLU 293 Cb 1.00 -1.81 0.42 0.00 0.27 0.00 0.00 31.44 31.32 3h18 n GLU 293 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3h18 h GLN 294 N 0.00 0.00 0.00 5.31 1.08 -1.31 -3.06 115.11 117.13 3h18 h GLN 294 Ca 0.30 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.38 3h18 h GLN 294 Cb 0.50 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 3h18 h GLN 294 CO -0.79 0.07 -1.01 -1.49 -0.95 0.00 0.00 178.83 174.66 3h18 h TRP 295 N 0.00 0.00 0.00 2.96 6.55 -1.42 -3.33 115.95 120.71 3h18 h TRP 295 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3h18 h TRP 295 Cb 0.78 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.08 3h18 h TRP 295 CO 0.00 0.44 0.00 0.00 -1.05 0.00 0.00 178.44 177.83 3h18 h ALA 296 N 1.56 1.00 -0.01 1.49 0.00 -1.36 -3.50 119.26 118.44 3h18 h ALA 296 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h18 h ALA 296 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3h18 h ALA 296 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29