#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1a n GLY 3 N 0.00 -0.92 0.37 0.00 0.00 -1.26 -4.85 105.19 98.54 3h1a n GLY 3 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.90 3h1a n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1a h PRO 4 N 0.17 0.82 -0.41 1.61 0.13 -2.03 -2.83 132.00 129.47 3h1a h PRO 4 Ca -0.47 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3h1a h PRO 4 Cb 1.37 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3h1a h PRO 4 CO 0.48 0.54 0.24 0.93 -0.23 0.00 0.00 178.00 179.96 3h1a h GLU 5 N 0.84 0.56 -0.06 0.86 3.07 -1.91 -0.69 114.58 117.26 3h1a h GLU 5 Ca 0.47 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.27 3h1a h GLU 5 Cb 0.60 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3h1a h GLU 5 CO -0.23 0.42 0.00 0.97 -1.40 0.00 0.00 179.01 178.77 3h1a h ILE 6 N 0.54 1.23 -0.79 3.13 6.09 -1.86 0.86 117.51 126.71 3h1a h ILE 6 Ca 0.15 -0.72 0.19 0.00 -1.37 0.00 0.00 64.86 63.11 3h1a h ILE 6 Cb 0.01 1.61 -0.13 0.00 0.47 0.00 0.00 36.82 38.78 3h1a h ILE 6 CO -0.03 0.20 0.14 0.58 -3.07 0.00 0.00 178.15 175.97 3h1a h VAL 7 N -0.18 0.39 -0.11 2.19 2.07 -1.44 0.29 116.25 119.46 3h1a h VAL 7 Ca 0.02 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 3h1a h VAL 7 Cb 0.31 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3h1a h VAL 7 CO 0.00 0.04 -0.23 0.50 0.02 0.00 0.00 177.57 177.90 3h1a h LYS 8 N 0.19 0.36 -0.99 1.57 3.11 -0.54 -2.64 116.57 117.62 3h1a h LYS 8 Ca 0.46 -0.23 0.06 0.00 -2.81 0.00 0.00 60.65 58.13 3h1a h LYS 8 Cb 0.85 0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 32.04 3h1a h LYS 8 CO -0.61 0.83 0.64 1.25 -2.81 0.00 0.00 179.45 178.75 3h1a h LEU 9 N -0.07 1.04 -0.54 5.20 5.85 0.13 -1.34 115.31 125.58 3h1a h LEU 9 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 3h1a h LEU 9 Cb 0.81 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3h1a h LEU 9 CO 0.05 0.68 -0.05 0.11 -0.34 0.00 0.00 178.44 178.89 3h1a h LYS 10 N 1.19 0.99 0.15 1.25 1.57 -0.36 -1.01 116.57 120.35 3h1a h LYS 10 Ca 0.42 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3h1a h LYS 10 Cb 0.12 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3h1a h LYS 10 CO -0.15 1.02 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.46 3h1a h LYS 11 N 0.87 -0.20 -0.71 3.15 3.64 -1.04 -0.52 116.57 121.77 3h1a h LYS 11 Ca 0.15 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.69 3h1a h LYS 11 Cb 0.61 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.37 3h1a h LYS 11 CO 0.04 0.03 0.17 0.82 -2.27 0.00 0.00 179.45 178.24 3h1a h ILE 12 N -0.40 0.54 -0.48 2.00 2.04 -1.18 0.27 117.51 120.30 3h1a h ILE 12 Ca -0.02 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 3h1a h ILE 12 Cb 0.32 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3h1a h ILE 12 CO 0.03 0.05 -0.08 -0.07 0.00 0.00 0.00 178.15 178.08 3h1a h LEU 13 N 0.27 0.90 -0.60 1.44 3.38 -0.68 -0.41 115.31 119.62 3h1a h LEU 13 Ca 0.39 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3h1a h LEU 13 Cb 0.65 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3h1a h LEU 13 CO -0.49 1.04 0.18 0.03 0.09 0.00 0.00 178.44 179.29 3h1a h ARG 14 N 0.75 0.94 -0.61 1.13 3.08 -0.75 -2.50 114.38 116.42 3h1a h ARG 14 Ca 0.12 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3h1a h ARG 14 Cb 0.63 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 3h1a h ARG 14 CO 0.04 0.85 0.32 0.93 -1.07 0.00 0.00 179.97 181.04 3h1a h GLU 15 N 0.86 0.85 0.00 0.04 5.08 -0.24 -2.86 114.58 118.31 3h1a h GLU 15 Ca 0.19 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3h1a h GLU 15 Cb 0.30 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3h1a h GLU 15 CO -0.00 0.64 -0.25 1.63 -1.00 0.00 0.00 179.01 180.02 3h1a n LYS 16 N -4.37 0.22 -2.31 2.33 5.02 -0.18 -4.98 118.16 113.88 3h1a n LYS 16 Ca 0.06 0.13 -0.38 0.00 -2.02 0.00 0.00 58.31 56.10 3h1a n LYS 16 Cb 0.11 -1.70 -0.02 0.00 -0.02 0.00 0.00 35.03 33.40 3h1a n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h1a s ALA 17 N -3.10 3.12 0.25 7.82 0.00 -0.95 -4.99 121.76 123.90 3h1a s ALA 17 Ca 0.10 0.94 -0.31 0.00 0.00 0.00 0.00 51.96 52.69 3h1a s ALA 17 Cb 0.14 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.78 3h1a s ALA 17 CO 0.64 -0.52 1.58 0.08 0.00 0.00 0.00 175.76 177.53 3h1a s VAL 18 N -1.46 2.28 0.55 0.00 1.01 -1.26 -4.97 120.40 116.56 3h1a s VAL 18 Ca 0.58 0.23 -0.20 0.00 0.00 0.00 0.00 61.98 62.59 3h1a s VAL 18 Cb -0.30 -3.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 3h1a s VAL 18 CO 0.37 0.03 0.96 -2.65 0.00 0.00 0.00 175.10 173.81 3h1a n PRO 19 N 2.80 1.04 -1.64 2.72 -0.02 -1.26 -4.85 135.00 133.79 3h1a n PRO 19 Ca 0.10 0.39 -0.53 0.00 -2.02 0.00 0.00 63.50 61.44 3h1a n PRO 19 Cb 0.38 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3h1a n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3h1a n PRO 20 N -0.61 1.26 -3.33 0.52 -0.02 -1.26 -1.93 135.00 129.63 3h1a n PRO 20 Ca 0.12 0.46 -0.18 0.00 -2.02 0.00 0.00 63.50 61.88 3h1a n PRO 20 Cb 0.45 -2.13 0.07 0.00 -0.02 0.00 0.00 33.50 31.87 3h1a n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h1a n GLY 21 N 3.22 -0.27 3.90 -1.23 0.00 -1.26 -5.03 105.19 104.51 3h1a n GLY 21 Ca 0.21 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 3h1a n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1a s THR 22 N -3.28 5.43 -0.48 2.61 -4.23 -0.81 -5.08 115.64 109.79 3h1a s THR 22 Ca 0.29 -0.03 -0.18 0.00 -1.18 0.00 0.00 61.69 60.59 3h1a s THR 22 Cb -0.13 -3.52 0.06 0.00 1.34 0.00 0.00 72.50 70.25 3h1a s THR 22 CO 0.61 0.39 0.53 -0.70 -0.54 0.00 0.00 174.62 174.91 3h1a s GLU 23 N -1.73 3.08 -0.16 3.99 2.12 -1.26 -5.02 118.70 119.73 3h1a s GLU 23 Ca 0.25 -0.99 -0.21 0.00 0.36 0.00 0.00 54.97 54.38 3h1a s GLU 23 Cb -0.13 -4.08 -0.03 0.00 0.26 0.00 0.00 34.13 30.15 3h1a s GLU 23 CO 0.15 -1.11 0.63 0.08 -0.54 0.00 0.00 175.26 174.48 3h1a s VAL 24 N 2.28 5.04 0.74 3.70 1.01 -1.26 -5.05 120.40 126.86 3h1a s VAL 24 Ca 0.12 1.23 -0.16 0.00 0.00 0.00 0.00 61.98 63.17 3h1a s VAL 24 Cb -0.20 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3h1a s VAL 24 CO 0.11 0.17 0.55 -2.65 0.00 0.00 0.00 175.10 173.27 3h1a n PRO 25 N 4.59 0.27 -0.01 2.72 -0.02 -1.26 -4.75 135.00 136.53 3h1a n PRO 25 Ca -0.02 0.13 -0.12 0.00 -2.02 0.00 0.00 63.50 61.48 3h1a n PRO 25 Cb 0.50 -1.86 -0.07 0.00 -0.02 0.00 0.00 33.50 32.06 3h1a n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3h1a h LEU 26 N -0.45 0.11 -1.34 2.45 6.46 -2.00 -1.58 115.31 118.96 3h1a h LEU 26 Ca -0.45 -0.19 -0.06 0.00 -0.12 0.00 0.00 57.88 57.06 3h1a h LEU 26 Cb 1.34 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 3h1a h LEU 26 CO 0.42 0.27 -0.25 -2.24 -0.62 0.00 0.00 178.44 176.02 3h1a h ASP 27 N -0.05 0.11 -0.54 1.25 2.03 -1.98 0.72 116.42 117.96 3h1a h ASP 27 Ca 0.03 -0.03 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 3h1a h ASP 27 Cb 0.19 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 38.64 3h1a h ASP 27 CO -0.00 0.37 0.24 0.58 -1.03 0.00 0.00 179.24 179.40 3h1a h VAL 28 N 0.11 1.21 -0.47 4.15 2.07 -1.88 0.71 116.25 122.14 3h1a h VAL 28 Ca 0.02 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 3h1a h VAL 28 Cb 0.51 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3h1a h VAL 28 CO 0.04 0.24 0.15 0.24 0.02 0.00 0.00 177.57 178.27 3h1a h MET 29 N 0.73 0.73 -0.53 1.57 2.86 -0.19 -1.71 114.93 118.39 3h1a h MET 29 Ca 0.18 -0.15 0.09 0.00 -2.06 0.00 0.00 59.70 57.76 3h1a h MET 29 Cb 0.16 -0.11 -0.07 0.00 0.06 0.00 0.00 31.60 31.64 3h1a h MET 29 CO -0.02 0.69 0.13 0.00 1.06 0.00 0.00 176.91 178.77 3h1a h ARG 30 N 0.63 0.27 -0.21 1.72 3.08 -0.79 0.10 114.38 119.19 3h1a h ARG 30 Ca 0.15 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 3h1a h ARG 30 Cb 0.26 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3h1a h ARG 30 CO -0.01 0.18 -0.13 0.87 -1.07 0.00 0.00 179.97 179.81 3h1a h LYS 31 N 0.28 0.46 -0.63 0.04 1.57 -0.84 -2.35 116.57 115.10 3h1a h LYS 31 Ca 0.27 -0.21 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 3h1a h LYS 31 Cb 0.35 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.59 3h1a h LYS 31 CO -0.33 0.76 0.28 0.78 -0.57 0.00 0.00 179.45 180.37 3h1a h GLY 32 N 0.15 0.91 1.42 3.86 0.00 -1.01 0.14 103.07 108.53 3h1a h GLY 32 Ca 0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 3h1a h GLY 32 CO 0.04 0.03 -0.00 1.98 0.00 0.00 0.00 176.54 178.58 3h1a h MET 33 N 0.49 0.71 0.31 4.80 1.85 -0.78 -2.18 114.93 120.14 3h1a h MET 33 Ca 0.31 -0.18 -0.02 0.00 -0.61 0.00 0.00 59.70 59.20 3h1a h MET 33 Cb 0.34 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.29 3h1a h MET 33 CO -0.27 0.73 -0.15 0.93 -0.40 0.00 0.00 176.91 177.75 3h1a h GLU 34 N 0.67 -0.41 0.00 0.39 4.39 -0.61 -3.14 114.58 115.87 3h1a h GLU 34 Ca 0.13 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 3h1a h GLU 34 Cb 0.42 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3h1a h GLU 34 CO 0.02 -0.13 -0.19 1.57 -1.16 0.00 0.00 179.01 179.12 3h1a h LYS 35 N -0.65 0.00 -0.20 2.33 5.09 -0.76 -2.76 116.57 119.61 3h1a h LYS 35 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.70 3h1a h LYS 35 Cb 0.46 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.79 3h1a h LYS 35 CO 0.07 0.19 0.00 1.33 -2.09 0.00 0.00 179.45 178.95 3h1a n VAL 36 N -4.28 0.26 -2.24 0.07 0.24 -0.82 -4.93 118.33 106.62 3h1a n VAL 36 Ca -0.02 -0.35 -0.41 0.00 -2.04 0.00 0.00 64.34 61.51 3h1a n VAL 36 Cb 0.25 0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.89 3h1a n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h1a s ALA 37 N -1.74 3.49 0.34 2.33 0.00 -1.04 -4.98 121.76 120.16 3h1a s ALA 37 Ca 0.30 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 53.09 3h1a s ALA 37 Cb 0.16 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 3h1a s ALA 37 CO 0.23 -0.49 1.26 -0.06 0.00 0.00 0.00 175.76 176.70 3h1a s PHE 38 N -0.54 3.09 0.38 0.00 0.08 -1.26 -5.02 117.98 114.71 3h1a s PHE 38 Ca 0.52 1.47 -0.27 0.00 0.12 0.00 0.00 56.93 58.76 3h1a s PHE 38 Cb -0.37 -3.60 -0.10 0.00 -0.57 0.00 0.00 43.02 38.39 3h1a s PHE 38 CO 0.43 -1.66 1.36 0.15 -0.10 0.00 0.00 175.22 175.41 3h1a s LYS 39 N -1.86 4.11 0.57 0.44 1.02 -1.26 -4.39 119.74 118.36 3h1a s LYS 39 Ca 0.50 2.30 -0.18 0.00 0.02 0.00 0.00 55.97 58.62 3h1a s LYS 39 Cb -0.38 -2.91 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 3h1a s LYS 39 CO 0.49 -0.43 1.09 0.00 -0.92 0.00 0.00 175.35 175.58 3h1a s ALA 40 N -1.18 2.69 0.53 5.17 0.00 -1.26 -4.78 121.76 122.93 3h1a s ALA 40 Ca 0.53 0.61 -0.21 0.00 0.00 0.00 0.00 51.96 52.90 3h1a s ALA 40 Cb -0.41 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.35 3h1a s ALA 40 CO 0.55 -0.80 1.17 0.00 0.00 0.00 0.00 175.76 176.68 3h1a n ALA 41 N -1.65 0.88 1.49 0.00 0.00 -1.26 -4.86 120.51 115.11 3h1a n ALA 41 Ca 0.10 0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.72 3h1a n ALA 41 Cb 0.52 -2.23 0.26 0.00 0.00 0.00 0.00 19.45 18.00 3h1a n ALA 41 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3h1a n ASP 42 N -0.59 0.94 -0.91 0.00 5.68 -1.26 -1.94 116.55 118.48 3h1a n ASP 42 Ca 0.11 -1.80 0.12 0.00 -0.50 0.00 0.00 54.79 52.72 3h1a n ASP 42 Cb 0.44 -0.09 0.26 0.00 -1.14 0.00 0.00 41.12 40.59 3h1a n ASP 42 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3h1a n ASP 43 N -0.07 2.76 -4.65 -1.12 3.85 -1.26 -4.85 116.55 111.21 3h1a n ASP 43 Ca 0.10 -1.89 -0.42 0.00 -0.71 0.00 0.00 54.79 51.88 3h1a n ASP 43 Cb 0.18 -0.14 -0.04 0.00 -1.35 0.00 0.00 41.12 39.77 3h1a n ASP 43 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3h1a s ILE 44 N -1.71 4.80 0.09 2.12 -1.09 -0.82 -4.14 121.20 120.45 3h1a s ILE 44 Ca 0.35 1.70 -0.05 0.00 -2.23 0.00 0.00 60.65 60.43 3h1a s ILE 44 Cb 0.21 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 3h1a s ILE 44 CO 0.30 -0.09 0.32 -1.58 -1.23 0.00 0.00 174.94 172.65 3h1a s GLN 45 N 2.87 3.58 0.01 2.79 0.74 -0.45 -4.94 119.66 124.27 3h1a s GLN 45 Ca 0.38 -0.14 0.02 0.00 0.05 0.00 0.00 55.36 55.66 3h1a s GLN 45 Cb -0.15 -2.95 -0.01 0.00 1.10 0.00 0.00 33.01 30.99 3h1a s GLN 45 CO 0.07 0.55 -0.06 0.08 -0.55 0.00 0.00 175.29 175.39 3h1a s VAL 46 N -1.52 0.40 -0.07 1.34 1.01 -1.26 -1.00 120.40 119.30 3h1a s VAL 46 Ca 0.36 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 3h1a s VAL 46 Cb -0.13 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 35.87 3h1a s VAL 46 CO 0.23 -0.11 -0.01 -0.70 0.00 0.00 0.00 175.10 174.51 3h1a s GLU 47 N -0.73 0.66 0.25 2.72 2.12 -0.32 -4.99 118.70 118.42 3h1a s GLU 47 Ca -0.04 0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.07 3h1a s GLU 47 Cb -0.05 -0.96 -0.09 0.00 0.26 0.00 0.00 34.13 33.28 3h1a s GLU 47 CO -0.00 -0.27 0.92 -0.65 -0.54 0.00 0.00 175.26 174.73 3h1a s GLN 48 N 1.79 4.78 0.08 4.30 -0.21 -1.26 -1.08 119.66 128.06 3h1a s GLN 48 Ca 0.02 1.43 -0.13 0.00 0.02 0.00 0.00 55.36 56.70 3h1a s GLN 48 Cb -0.13 -3.20 0.02 0.00 1.00 0.00 0.00 33.01 30.70 3h1a s GLN 48 CO -0.05 0.49 0.31 0.14 -2.12 0.00 0.00 175.29 174.06 3h1a s VAL 49 N -1.25 0.09 -0.06 1.09 -7.23 -0.29 -4.94 120.40 107.82 3h1a s VAL 49 Ca 0.42 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.85 3h1a s VAL 49 Cb -0.24 -1.12 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 3h1a s VAL 49 CO 0.30 -0.43 -0.15 0.42 -0.31 0.00 0.00 175.10 174.94 3h1a s THR 50 N -3.29 3.03 -0.08 5.32 -4.23 -1.26 -0.52 115.64 114.60 3h1a s THR 50 Ca 0.00 -0.73 -0.00 0.00 -1.18 0.00 0.00 61.69 59.78 3h1a s THR 50 Cb 0.02 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.69 3h1a s THR 50 CO -0.08 0.59 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.85 3h1a s VAL 51 N -0.63 0.69 -1.36 2.29 1.01 -0.58 -4.84 120.40 117.00 3h1a s VAL 51 Ca 0.09 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 3h1a s VAL 51 Cb -0.11 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.53 3h1a s VAL 51 CO 0.01 0.30 0.40 0.00 0.00 0.00 0.00 175.10 175.81 3h1a n ALA 52 N 4.82 -2.35 -1.00 5.51 0.00 -1.26 -0.88 120.51 125.35 3h1a n ALA 52 Ca -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3h1a n ALA 52 Cb 0.50 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.08 3h1a n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1a n GLY 53 N -2.29 0.27 3.30 0.00 0.00 -1.26 -4.97 105.19 100.24 3h1a n GLY 53 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 3h1a n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1a s ALA 55 N -0.69 2.80 0.17 0.00 0.00 -1.26 -1.52 121.76 121.26 3h1a s ALA 55 Ca 0.10 1.31 -0.19 0.00 0.00 0.00 0.00 51.96 53.19 3h1a s ALA 55 Cb -0.09 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.51 3h1a s ALA 55 CO 0.01 -1.36 0.51 0.00 0.00 0.00 0.00 175.76 174.91 3h1a s ALA 56 N -1.32 -1.11 -0.02 0.00 0.00 0.32 -1.46 121.76 118.16 3h1a s ALA 56 Ca 0.72 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.74 3h1a s ALA 56 Cb -0.40 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 3h1a s ALA 56 CO 0.47 -0.75 -0.18 -1.21 0.00 0.00 0.00 175.76 174.08 3h1a s GLU 57 N -3.82 1.62 -0.04 0.00 2.02 -0.95 -1.14 118.70 116.39 3h1a s GLU 57 Ca 0.05 -0.65 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 3h1a s GLU 57 Cb -0.00 -1.50 -0.03 0.00 0.10 0.00 0.00 34.13 32.69 3h1a s GLU 57 CO -0.08 0.35 1.12 -1.58 0.02 0.00 0.00 175.26 175.09 3h1a s TRP 58 N -0.28 3.38 -0.22 1.61 0.23 -0.24 -0.00 118.94 123.41 3h1a s TRP 58 Ca 0.04 1.40 0.02 0.00 -2.03 0.00 0.00 56.10 55.52 3h1a s TRP 58 Cb -0.09 -3.32 0.04 0.00 0.03 0.00 0.00 33.47 30.14 3h1a s TRP 58 CO 0.00 -0.83 -0.13 0.08 0.96 0.00 0.00 176.95 177.04 3h1a s VAL 59 N 1.79 1.94 -0.26 4.03 1.01 0.36 -1.17 120.40 128.11 3h1a s VAL 59 Ca 0.54 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3h1a s VAL 59 Cb -0.23 -1.97 0.07 0.00 0.00 0.00 0.00 36.38 34.24 3h1a s VAL 59 CO 0.23 0.17 -0.03 -0.13 0.00 0.00 0.00 175.10 175.34 3h1a s ARG 60 N 1.26 1.59 1.25 2.72 0.52 -0.17 -0.60 118.95 125.51 3h1a s ARG 60 Ca -0.03 -1.16 -0.18 0.00 -0.52 0.00 0.00 55.73 53.84 3h1a s ARG 60 Cb -0.17 -2.65 0.30 0.00 0.52 0.00 0.00 34.95 32.95 3h1a s ARG 60 CO -0.08 -0.68 1.02 0.00 0.02 0.00 0.00 175.30 175.58 3h1a s ALA 61 N 1.31 -0.16 0.67 2.13 0.00 -1.26 -1.34 121.76 123.11 3h1a s ALA 61 Ca -0.02 -0.60 -0.16 0.00 0.00 0.00 0.00 51.96 51.18 3h1a s ALA 61 Cb -0.19 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 19.90 3h1a s ALA 61 CO -0.08 -3.94 1.15 -2.14 0.00 0.00 0.00 175.76 170.76 3h1a s PRO 62 N -4.96 2.60 0.00 0.00 0.02 -1.26 -3.95 135.00 127.45 3h1a s PRO 62 Ca 0.69 1.57 0.00 0.00 0.02 0.00 0.00 61.00 63.28 3h1a s PRO 62 Cb -0.17 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.45 3h1a s PRO 62 CO 0.59 -1.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.23 3h1a n GLY 63 N -0.06 0.65 3.71 0.52 0.00 -1.26 -4.73 105.19 104.02 3h1a n GLY 63 Ca 0.12 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3h1a n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1a s GLN 65 N 1.40 4.59 0.42 0.00 1.11 -0.11 -4.95 119.66 122.11 3h1a s GLN 65 Ca 0.60 1.60 -0.23 0.00 0.01 0.00 0.00 55.36 57.34 3h1a s GLN 65 Cb -0.30 -3.35 -0.09 0.00 -1.01 0.00 0.00 33.01 28.26 3h1a s GLN 65 CO 0.28 0.03 1.05 0.00 0.01 0.00 0.00 175.29 176.66 3h1a s ALA 66 N 0.29 3.03 0.00 6.09 0.00 -1.26 -3.22 121.76 126.68 3h1a s ALA 66 Ca 0.51 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3h1a s ALA 66 Cb -0.26 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3h1a s ALA 66 CO 0.31 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.22 3h1a n GLY 67 N 0.20 3.43 3.71 0.00 0.00 -1.26 -5.04 105.19 106.24 3h1a n GLY 67 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3h1a n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1a s LYS 68 N -0.92 2.69 0.08 1.61 1.02 -1.20 -4.64 119.74 118.39 3h1a s LYS 68 Ca 0.00 -0.75 -0.21 0.00 0.02 0.00 0.00 55.97 55.03 3h1a s LYS 68 Cb 0.00 -2.62 0.05 0.00 -0.52 0.00 0.00 37.83 34.74 3h1a s LYS 68 CO 0.00 0.56 0.50 0.00 -0.92 0.00 0.00 175.35 175.50 3h1a s ALA 69 N -1.29 -1.27 -0.17 5.17 0.00 -0.93 -4.01 121.76 119.26 3h1a s ALA 69 Ca 0.26 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.65 3h1a s ALA 69 Cb -0.12 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.55 3h1a s ALA 69 CO 0.18 -0.57 -0.19 0.42 0.00 0.00 0.00 175.76 175.60 3h1a s ILE 70 N -2.93 1.95 -0.32 0.00 1.01 -0.68 -1.86 121.20 118.36 3h1a s ILE 70 Ca -0.03 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.46 3h1a s ILE 70 Cb -0.00 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.70 3h1a s ILE 70 CO -0.06 0.52 1.36 -0.22 0.00 0.00 0.00 174.94 176.54 3h1a s LEU 71 N 1.34 3.81 -0.15 2.97 2.96 0.15 0.54 118.68 130.29 3h1a s LEU 71 Ca 0.05 1.15 -0.04 0.00 -0.22 0.00 0.00 54.13 55.07 3h1a s LEU 71 Cb -0.13 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 3h1a s LEU 71 CO -0.12 -1.19 -0.02 -0.47 -1.32 0.00 0.00 176.35 173.23 3h1a s TYR 72 N 4.72 3.07 -0.32 5.38 6.14 0.73 -1.91 117.35 135.16 3h1a s TYR 72 Ca 0.59 -0.20 -0.01 0.00 0.64 0.00 0.00 57.07 58.09 3h1a s TYR 72 Cb -0.17 -1.96 0.07 0.00 0.42 0.00 0.00 41.96 40.32 3h1a s TYR 72 CO 0.26 0.04 0.02 -0.51 0.64 0.00 0.00 175.55 176.00 3h1a s LEU 73 N 0.25 4.14 0.46 6.97 1.43 0.77 -3.03 118.68 129.68 3h1a s LEU 73 Ca -0.02 -1.51 -0.21 0.00 -1.03 0.00 0.00 54.13 51.37 3h1a s LEU 73 Cb -0.14 -1.70 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 3h1a s LEU 73 CO 0.02 -0.31 1.04 -1.38 0.23 0.00 0.00 176.35 175.95 3h1a s HIS 74 N 1.17 3.07 0.44 0.29 -3.43 -1.26 -2.62 115.29 112.95 3h1a s HIS 74 Ca -0.02 1.59 -0.07 0.00 -0.80 0.00 0.00 55.06 55.76 3h1a s HIS 74 Cb -0.20 -3.07 0.10 0.00 -1.43 0.00 0.00 32.58 27.99 3h1a s HIS 74 CO -0.03 -0.75 0.53 0.41 -2.00 0.00 0.00 174.74 172.90 3h1a n GLY 75 N -0.15 -1.66 0.00 -1.38 0.00 -0.97 -3.49 105.19 97.54 3h1a n GLY 75 Ca 0.08 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3h1a n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1a n GLY 76 N 0.82 1.29 2.60 -0.02 0.00 -1.26 -4.32 105.19 104.30 3h1a n GLY 76 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 3h1a n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1a n GLY 77 N 0.00 0.61 2.54 -0.02 0.00 -1.26 -0.67 105.19 106.39 3h1a n GLY 77 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3h1a n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h1a n TYR 78 N -2.40 0.00 0.00 1.61 4.02 -1.26 -4.70 117.16 114.43 3h1a n TYR 78 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 3h1a n TYR 78 Cb 0.39 -0.82 0.00 0.00 -0.02 0.00 0.00 39.34 38.90 3h1a n TYR 78 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3h1a n VAL 79 N -2.51 0.00 -3.75 -0.72 0.24 -0.76 -0.40 118.33 110.42 3h1a n VAL 79 Ca 0.00 -0.07 -0.04 0.00 -2.04 0.00 0.00 64.34 62.20 3h1a n VAL 79 Cb 0.18 0.46 -0.01 0.00 -1.47 0.00 0.00 33.84 33.00 3h1a n VAL 79 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3h1a n MET 80 N -0.65 0.15 0.00 7.34 0.00 0.15 -4.75 117.12 119.36 3h1a n MET 80 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 57.70 57.01 3h1a n MET 80 Cb 0.00 0.64 0.00 0.00 0.00 0.00 0.00 33.22 33.86 3h1a n MET 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3h1a n GLY 81 N -0.14 -0.21 3.75 3.17 0.00 -1.26 -4.24 105.19 106.26 3h1a n GLY 81 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3h1a n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h1a s SER 82 N -2.15 -0.06 0.20 1.61 1.04 -1.26 -4.96 113.70 108.11 3h1a s SER 82 Ca 0.00 -0.29 -0.12 0.00 0.48 0.00 0.00 55.95 56.03 3h1a s SER 82 Cb 0.00 0.28 0.25 0.00 0.10 0.00 0.00 66.02 66.64 3h1a s SER 82 CO 0.00 -0.53 1.70 0.40 0.98 0.00 0.00 173.24 175.79 3h1a h ILE 83 N 2.00 0.64 -0.83 -1.02 2.04 -1.88 -2.72 117.51 115.73 3h1a h ILE 83 Ca -0.27 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.52 3h1a h ILE 83 Cb 1.21 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 3h1a h ILE 83 CO 0.29 0.04 0.55 -1.13 0.00 0.00 0.00 178.15 177.90 3h1a h ASN 84 N 0.20 0.96 0.09 1.72 -1.24 -1.98 -1.07 115.58 114.26 3h1a h ASN 84 Ca 0.29 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.21 3h1a h ASN 84 Cb 0.42 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 3h1a h ASN 84 CO -0.40 0.69 -0.20 0.71 -1.29 0.00 0.00 177.43 176.95 3h1a h THR 85 N 1.13 1.20 -0.08 -3.57 1.35 -1.81 -3.26 112.91 107.87 3h1a h THR 85 Ca 0.30 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3h1a h THR 85 Cb -0.13 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3h1a h THR 85 CO -0.07 0.28 0.00 1.41 -0.25 0.00 0.00 175.52 176.90 3h1a n HIS 86 N -4.22 0.09 -0.30 4.73 8.25 -1.10 -4.64 115.22 118.02 3h1a n HIS 86 Ca -0.01 -0.12 0.02 0.00 -0.26 0.00 0.00 57.72 57.35 3h1a n HIS 86 Cb 0.31 -0.01 0.21 0.00 1.12 0.00 0.00 29.99 31.62 3h1a n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3h1a h ARG 87 N 1.77 1.09 0.32 -0.41 2.43 -1.24 -2.38 114.38 115.96 3h1a h ARG 87 Ca 0.00 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3h1a h ARG 87 Cb 0.46 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3h1a h ARG 87 CO 0.00 0.72 -0.16 1.03 -1.51 0.00 0.00 179.97 180.05 3h1a h SER 88 N 1.12 -0.37 -0.98 -3.80 0.87 -1.82 -0.99 113.55 107.58 3h1a h SER 88 Ca 0.36 0.01 0.19 0.00 -1.23 0.00 0.00 61.79 61.12 3h1a h SER 88 Cb 0.03 0.09 -0.09 0.00 -0.44 0.00 0.00 62.40 61.99 3h1a h SER 88 CO -0.11 -0.25 0.61 -0.03 -0.53 0.00 0.00 176.83 176.52 3h1a h MET 89 N -0.45 0.65 0.00 2.24 1.85 -1.88 -1.85 114.93 115.50 3h1a h MET 89 Ca -0.04 -0.04 -0.22 0.00 -0.61 0.00 0.00 59.70 58.79 3h1a h MET 89 Cb 0.33 -0.15 -0.00 0.00 0.43 0.00 0.00 31.60 32.21 3h1a h MET 89 CO 0.07 0.43 -0.93 0.28 -0.40 0.00 0.00 176.91 176.37 3h1a h VAL 90 N 0.67 1.43 -0.71 -5.77 2.07 -1.45 -2.26 116.25 110.24 3h1a h VAL 90 Ca 0.54 -2.52 0.15 0.00 0.82 0.00 0.00 66.70 65.69 3h1a h VAL 90 Cb 0.96 2.45 -0.10 0.00 -1.52 0.00 0.00 31.29 33.08 3h1a h VAL 90 CO -0.31 0.74 0.19 1.23 0.02 0.00 0.00 177.57 179.44 3h1a h GLY 91 N 1.45 0.99 2.00 2.17 0.00 -0.36 0.37 103.07 109.69 3h1a h GLY 91 Ca -0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3h1a h GLY 91 CO 0.15 -0.16 -0.44 0.83 0.00 0.00 0.00 176.54 176.92 3h1a h GLU 92 N 0.30 0.00 -0.03 4.80 4.39 -1.06 -0.91 114.58 122.08 3h1a h GLU 92 Ca 0.39 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.87 3h1a h GLU 92 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3h1a h GLU 92 CO -0.46 0.44 -0.89 0.82 -1.16 0.00 0.00 179.01 177.76 3h1a h ILE 93 N 0.00 1.38 -0.06 3.13 2.04 -0.78 -1.04 117.51 122.18 3h1a h ILE 93 Ca -0.00 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.52 3h1a h ILE 93 Cb 1.05 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 39.44 3h1a h ILE 93 CO 0.06 0.70 0.04 -1.28 0.00 0.00 0.00 178.15 177.67 3h1a h SER 94 N 0.27 0.07 -0.12 1.72 0.87 -0.01 -1.86 113.55 114.50 3h1a h SER 94 Ca -0.07 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.51 3h1a h SER 94 Cb 1.51 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 63.39 3h1a h SER 94 CO 0.16 0.06 -0.51 -0.09 -0.53 0.00 0.00 176.83 175.92 3h1a h ARG 95 N 0.08 -0.55 -0.05 2.24 2.43 -0.95 0.87 114.38 118.45 3h1a h ARG 95 Ca 0.02 0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 3h1a h ARG 95 Cb -0.00 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3h1a h ARG 95 CO -0.00 -0.37 -0.51 0.00 -1.51 0.00 0.00 179.97 177.58 3h1a h ALA 96 N -0.19 1.07 -0.01 2.80 0.00 -1.15 -2.69 119.26 119.10 3h1a h ALA 96 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3h1a h ALA 96 Cb 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3h1a h ALA 96 CO -0.42 0.65 -0.34 -1.13 0.00 0.00 0.00 179.25 178.01 3h1a n SER 97 N -3.94 1.52 -3.46 0.00 3.41 -0.71 -4.30 113.62 106.14 3h1a n SER 97 Ca -0.02 -1.21 -0.25 0.00 -0.26 0.00 0.00 58.87 57.14 3h1a n SER 97 Cb 0.53 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 3h1a n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1a n GLN 98 N -0.31 -3.75 -4.63 4.33 6.02 0.28 -4.76 117.38 114.57 3h1a n GLN 98 Ca 0.11 0.52 -0.22 0.00 -0.01 0.00 0.00 57.00 57.40 3h1a n GLN 98 Cb 0.41 -5.26 -0.15 0.00 1.02 0.00 0.00 30.24 26.25 3h1a n GLN 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h1a s ALA 99 N -3.02 1.16 0.47 -1.58 0.00 -1.19 -0.94 121.76 116.67 3h1a s ALA 99 Ca 0.45 -0.58 -0.23 0.00 0.00 0.00 0.00 51.96 51.61 3h1a s ALA 99 Cb -0.23 -0.32 -0.07 0.00 0.00 0.00 0.00 23.12 22.50 3h1a s ALA 99 CO 0.55 0.27 1.18 0.00 0.00 0.00 0.00 175.76 177.76 3h1a s ALA 100 N -0.23 2.94 -0.12 0.00 0.00 -1.26 -4.33 121.76 118.76 3h1a s ALA 100 Ca 0.04 0.97 -0.02 0.00 0.00 0.00 0.00 51.96 52.94 3h1a s ALA 100 Cb -0.06 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3h1a s ALA 100 CO -0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 175.76 174.97 3h1a s ALA 101 N -1.53 2.99 -0.45 0.00 0.00 0.23 -1.69 121.76 121.31 3h1a s ALA 101 Ca 0.65 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 51.54 3h1a s ALA 101 Cb -0.29 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.42 3h1a s ALA 101 CO 0.35 0.35 0.76 -1.17 0.00 0.00 0.00 175.76 176.05 3h1a s LEU 102 N -0.08 4.32 -0.49 0.00 1.98 0.19 -0.49 118.68 124.11 3h1a s LEU 102 Ca 0.01 -0.18 -0.13 0.00 -2.89 0.00 0.00 54.13 50.94 3h1a s LEU 102 Cb -0.13 -2.90 0.11 0.00 0.66 0.00 0.00 46.19 43.93 3h1a s LEU 102 CO 0.03 -0.90 0.39 -0.22 -1.89 0.00 0.00 176.35 173.76 3h1a s LEU 103 N 3.20 5.77 -0.05 -0.68 2.96 1.00 -0.19 118.68 130.68 3h1a s LEU 103 Ca 0.28 -1.69 -0.24 0.00 -0.22 0.00 0.00 54.13 52.26 3h1a s LEU 103 Cb -0.13 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 3h1a s LEU 103 CO 0.22 -0.72 0.73 -0.22 -1.32 0.00 0.00 176.35 175.04 3h1a s LEU 104 N 1.51 4.33 -1.20 -0.68 0.20 -1.17 -2.23 118.68 119.45 3h1a s LEU 104 Ca 0.04 1.26 -0.10 0.00 0.69 0.00 0.00 54.13 56.02 3h1a s LEU 104 Cb -0.27 -3.14 0.21 0.00 -0.43 0.00 0.00 46.19 42.56 3h1a s LEU 104 CO 0.02 -0.12 1.56 -0.67 -0.29 0.00 0.00 176.35 176.85 3h1a n ASP 105 N 3.71 5.43 -4.83 3.68 2.03 -0.54 -4.68 116.55 121.36 3h1a n ASP 105 Ca -0.01 -3.11 -0.30 0.00 0.52 0.00 0.00 54.79 51.89 3h1a n ASP 105 Cb 0.51 -1.46 0.07 0.00 -0.72 0.00 0.00 41.12 39.52 3h1a n ASP 105 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3h1a s TYR 106 N -0.03 3.05 0.26 -0.67 -0.85 -1.26 -4.36 117.35 113.50 3h1a s TYR 106 Ca 0.38 1.23 -0.29 0.00 -0.52 0.00 0.00 57.07 57.86 3h1a s TYR 106 Cb 0.02 -3.01 -0.09 0.00 0.38 0.00 0.00 41.96 39.25 3h1a s TYR 106 CO 0.01 -1.44 1.24 1.03 -1.52 0.00 0.00 175.55 174.87 3h1a s ARG 107 N -5.16 4.46 0.02 -3.49 0.52 -1.26 -5.01 118.95 109.03 3h1a s ARG 107 Ca 0.59 2.01 0.02 0.00 -0.52 0.00 0.00 55.73 57.84 3h1a s ARG 107 Cb -0.13 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 3h1a s ARG 107 CO 0.54 -0.08 -0.00 -0.51 0.02 0.00 0.00 175.30 175.26 3h1a s LEU 108 N -1.03 3.48 0.69 2.53 1.43 -1.26 -4.15 118.68 120.38 3h1a s LEU 108 Ca 0.50 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 3h1a s LEU 108 Cb -0.36 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 43.83 3h1a s LEU 108 CO 0.43 0.26 1.06 0.00 0.23 0.00 0.00 176.35 178.34 3h1a s ALA 109 N -1.12 2.78 -1.92 4.21 0.00 0.46 -1.44 121.76 124.72 3h1a s ALA 109 Ca 0.21 -0.11 0.26 0.00 0.00 0.00 0.00 51.96 52.31 3h1a s ALA 109 Cb -0.12 -3.10 1.50 0.00 0.00 0.00 0.00 23.12 21.40 3h1a s ALA 109 CO 0.12 -1.13 1.88 -0.35 0.00 0.00 0.00 175.76 176.28 3h1a n PRO 110 N -3.04 0.74 -0.01 0.00 -0.04 -1.26 -4.23 135.00 127.17 3h1a n PRO 110 Ca 0.07 0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 3h1a n PRO 110 Cb 0.55 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 3h1a n PRO 110 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3h1a h GLU 111 N 0.00 0.62 -3.04 0.54 3.07 -1.90 -3.38 114.58 110.49 3h1a h GLU 111 Ca 0.00 -0.43 -0.62 0.00 -0.50 0.00 0.00 59.36 57.82 3h1a h GLU 111 Cb 0.03 0.06 -0.40 0.00 -0.84 0.00 0.00 28.75 27.60 3h1a h GLU 111 CO 0.00 1.05 -0.71 -1.01 -1.40 0.00 0.00 179.01 176.93 3h1a s HIS 112 N -3.91 2.33 1.08 4.33 3.76 -0.52 -5.06 115.29 117.30 3h1a s HIS 112 Ca -0.08 -2.66 -0.16 0.00 -0.15 0.00 0.00 55.06 52.00 3h1a s HIS 112 Cb 0.11 -2.10 0.23 0.00 1.11 0.00 0.00 32.58 31.93 3h1a s HIS 112 CO 0.86 -0.75 1.15 -2.14 -0.85 0.00 0.00 174.74 173.00 3h1a s PRO 113 N 0.02 -0.26 0.31 8.40 0.02 -1.26 -3.14 135.00 139.08 3h1a s PRO 113 Ca 0.19 0.03 -0.28 0.00 0.02 0.00 0.00 61.00 60.96 3h1a s PRO 113 Cb -0.21 -1.70 -0.13 0.00 0.02 0.00 0.00 34.50 32.48 3h1a s PRO 113 CO -0.03 -3.09 1.17 0.34 -0.33 0.00 0.00 177.00 175.06 3h1a n PHE 114 N -4.34 1.79 -1.08 6.54 7.35 -0.13 -1.38 117.46 126.21 3h1a n PHE 114 Ca 0.11 0.62 -0.15 0.00 -0.76 0.00 0.00 57.45 57.27 3h1a n PHE 114 Cb 0.59 -2.34 0.24 0.00 0.35 0.00 0.00 39.48 38.32 3h1a n PHE 114 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3h1a n PRO 115 N 0.76 2.93 -0.19 -7.13 -0.04 -1.26 -4.95 135.00 125.11 3h1a n PRO 115 Ca 0.08 -2.97 0.00 0.00 -0.04 0.00 0.00 63.50 60.57 3h1a n PRO 115 Cb 0.34 -2.18 0.10 0.00 -0.04 0.00 0.00 33.50 31.72 3h1a n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1a h ALA 116 N 1.83 0.70 -0.03 0.55 0.00 -1.48 -1.71 119.26 119.13 3h1a h ALA 116 Ca 0.45 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.43 3h1a h ALA 116 Cb 2.59 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 20.53 3h1a h ALA 116 CO 0.92 -0.30 -0.23 0.00 0.00 0.00 0.00 179.25 179.64 3h1a h ALA 117 N 1.46 1.57 -0.08 0.00 0.00 -1.81 -1.52 119.26 118.89 3h1a h ALA 117 Ca 0.31 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3h1a h ALA 117 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3h1a h ALA 117 CO -0.39 0.32 -0.27 0.28 0.00 0.00 0.00 179.25 179.19 3h1a h VAL 118 N 0.04 1.42 -1.00 0.00 2.07 -1.72 -1.34 116.25 115.72 3h1a h VAL 118 Ca 0.01 -1.65 0.11 0.00 0.82 0.00 0.00 66.70 65.99 3h1a h VAL 118 Cb 0.43 2.27 -0.08 0.00 -1.52 0.00 0.00 31.29 32.39 3h1a h VAL 118 CO 0.03 0.47 0.63 -0.33 0.02 0.00 0.00 177.57 178.40 3h1a h GLU 119 N -0.16 1.00 -0.28 1.57 5.08 -1.09 0.48 114.58 121.17 3h1a h GLU 119 Ca -0.01 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3h1a h GLU 119 Cb 0.91 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3h1a h GLU 119 CO 0.06 0.66 -0.14 -0.44 -1.00 0.00 0.00 179.01 178.15 3h1a h ASP 120 N 1.03 0.61 -0.27 1.42 3.32 -1.21 -0.59 116.42 120.73 3h1a h ASP 120 Ca 0.49 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3h1a h ASP 120 Cb 0.43 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3h1a h ASP 120 CO -0.25 0.88 0.11 1.23 -1.72 0.00 0.00 179.24 179.49 3h1a h GLY 121 N 0.34 0.43 0.86 2.75 0.00 -0.44 0.25 103.07 107.25 3h1a h GLY 121 Ca 0.06 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.19 3h1a h GLY 121 CO 0.04 0.22 0.42 -2.08 0.00 0.00 0.00 176.54 175.14 3h1a h VAL 122 N 0.29 1.08 -0.12 4.60 2.07 -0.02 -0.97 116.25 123.18 3h1a h VAL 122 Ca 0.09 -0.28 -0.17 0.00 0.82 0.00 0.00 66.70 67.16 3h1a h VAL 122 Cb 0.17 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3h1a h VAL 122 CO -0.01 0.15 -0.64 0.00 0.02 0.00 0.00 177.57 177.10 3h1a h ALA 123 N 1.30 0.66 -0.63 1.67 0.00 -0.64 0.21 119.26 121.83 3h1a h ALA 123 Ca 0.28 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3h1a h ALA 123 Cb 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3h1a h ALA 123 CO -0.11 0.72 0.20 0.00 0.00 0.00 0.00 179.25 180.06 3h1a h ALA 124 N 0.97 1.17 0.15 0.00 0.00 -0.25 0.13 119.26 121.44 3h1a h ALA 124 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3h1a h ALA 124 Cb 1.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3h1a h ALA 124 CO 0.11 0.58 -0.07 -0.92 0.00 0.00 0.00 179.25 178.95 3h1a h TYR 125 N 0.92 -0.19 -0.66 0.00 3.20 -0.50 -1.66 116.97 118.09 3h1a h TYR 125 Ca 0.21 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.21 3h1a h TYR 125 Cb 0.25 0.06 -0.10 0.00 1.54 0.00 0.00 36.73 38.48 3h1a h TYR 125 CO 0.02 0.01 0.10 0.00 -1.64 0.00 0.00 178.16 176.65 3h1a h ARG 126 N -0.36 0.20 -0.11 1.82 3.08 -0.68 -1.32 114.38 117.02 3h1a h ARG 126 Ca -0.02 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.06 3h1a h ARG 126 Cb 0.29 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 3h1a h ARG 126 CO 0.03 0.13 -0.25 2.35 -1.07 0.00 0.00 179.97 181.16 3h1a h TRP 127 N 0.21 -0.68 -0.67 3.04 7.01 -0.52 0.16 115.95 124.50 3h1a h TRP 127 Ca 0.35 0.03 0.14 0.00 2.11 0.00 0.00 58.89 61.52 3h1a h TRP 127 Cb 0.58 0.32 -0.10 0.00 -2.10 0.00 0.00 29.16 27.85 3h1a h TRP 127 CO -0.30 -0.34 0.09 -0.07 -2.79 0.00 0.00 178.44 175.04 3h1a h LEU 128 N -0.33 -0.11 -1.00 0.65 3.38 -0.71 -0.57 115.31 116.62 3h1a h LEU 128 Ca 0.09 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3h1a h LEU 128 Cb 0.47 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3h1a h LEU 128 CO -0.30 -0.07 0.42 -0.07 0.09 0.00 0.00 178.44 178.52 3h1a h LEU 129 N 0.20 1.01 -1.50 1.67 3.38 -0.07 -2.59 115.31 117.41 3h1a h LEU 129 Ca 0.36 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 3h1a h LEU 129 Cb 0.60 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3h1a h LEU 129 CO -0.51 0.83 -0.26 0.44 0.09 0.00 0.00 178.44 179.04 3h1a h ASP 130 N 1.13 0.00 0.65 -0.43 3.45 0.28 -1.38 116.42 120.13 3h1a h ASP 130 Ca 0.28 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.74 3h1a h ASP 130 Cb 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 3h1a h ASP 130 CO -0.04 0.26 0.00 0.00 -1.57 0.00 0.00 179.24 177.89 3h1a n GLN 131 N -4.06 0.11 -0.27 3.56 1.13 -0.32 -4.90 117.38 112.63 3h1a n GLN 131 Ca -0.02 0.34 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 3h1a n GLN 131 Cb 0.32 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 28.96 3h1a n GLN 131 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h1a n GLY 132 N 0.05 0.85 3.70 1.08 0.00 -0.52 -5.05 105.19 105.30 3h1a n GLY 132 Ca 0.03 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3h1a n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h1a s PHE 133 N -2.00 2.86 0.33 1.61 0.40 -1.00 -5.01 117.98 115.17 3h1a s PHE 133 Ca 0.00 0.65 -0.26 0.00 -0.60 0.00 0.00 56.93 56.72 3h1a s PHE 133 Cb 0.00 -3.82 -0.10 0.00 0.51 0.00 0.00 43.02 39.61 3h1a s PHE 133 CO 0.00 -3.11 0.98 0.15 0.70 0.00 0.00 175.22 173.94 3h1a s LYS 134 N 1.87 4.51 0.32 0.44 -0.14 -1.26 -4.46 119.74 121.02 3h1a s LYS 134 Ca 0.69 1.42 0.10 0.00 -1.36 0.00 0.00 55.97 56.82 3h1a s LYS 134 Cb -0.38 -2.80 0.92 0.00 -1.68 0.00 0.00 37.83 33.89 3h1a s LYS 134 CO 0.30 0.19 1.69 -1.35 -0.76 0.00 0.00 175.35 175.42 3h1a h PRO 135 N 3.13 0.40 0.00 -1.68 0.11 -1.94 0.63 132.00 132.64 3h1a h PRO 135 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3h1a h PRO 135 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3h1a h PRO 135 CO 0.65 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 3h1a n GLN 136 N -5.01 0.13 -0.11 1.05 0.00 -1.26 -2.04 117.38 110.14 3h1a n GLN 136 Ca 0.27 0.19 0.06 0.00 0.00 0.00 0.00 57.00 57.52 3h1a n GLN 136 Cb 0.82 -1.50 0.11 0.00 0.00 0.00 0.00 30.24 29.67 3h1a n GLN 136 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3h1a n HIS 137 N -1.37 0.28 -4.22 2.61 8.25 0.22 -4.64 115.22 116.35 3h1a n HIS 137 Ca 0.06 -0.28 -0.26 0.00 -0.26 0.00 0.00 57.72 56.98 3h1a n HIS 137 Cb 0.14 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.15 3h1a n HIS 137 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3h1a s LEU 138 N -1.00 3.27 0.03 2.41 1.43 -0.86 -2.20 118.68 121.77 3h1a s LEU 138 Ca 0.20 -0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 52.81 3h1a s LEU 138 Cb 0.12 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 3h1a s LEU 138 CO 0.16 0.08 0.10 -0.55 0.23 0.00 0.00 176.35 176.38 3h1a s SER 139 N -3.01 0.15 -0.07 2.29 0.15 -0.78 -1.49 113.70 110.93 3h1a s SER 139 Ca 0.28 -0.49 0.03 0.00 0.70 0.00 0.00 55.95 56.46 3h1a s SER 139 Cb -0.09 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.46 3h1a s SER 139 CO 0.18 -0.49 -0.14 -0.63 1.20 0.00 0.00 173.24 173.36 3h1a s ILE 140 N -2.46 1.32 0.03 6.45 1.01 -1.06 -0.68 121.20 125.81 3h1a s ILE 140 Ca -0.06 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 3h1a s ILE 140 Cb -0.02 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 3h1a s ILE 140 CO -0.04 0.40 -0.03 -0.55 0.00 0.00 0.00 174.94 174.72 3h1a s SER 141 N 0.64 0.36 -0.17 3.58 0.15 -0.80 -0.40 113.70 117.05 3h1a s SER 141 Ca -0.15 -0.71 -0.34 0.00 0.70 0.00 0.00 55.95 55.46 3h1a s SER 141 Cb -0.16 0.14 0.14 0.00 -1.71 0.00 0.00 66.02 64.43 3h1a s SER 141 CO 0.04 -0.42 1.17 -0.83 1.20 0.00 0.00 173.24 174.40 3h1a s GLY 142 N -2.07 -0.28 -0.04 9.45 0.00 -0.97 -0.16 107.32 113.24 3h1a s GLY 142 Ca -0.06 1.65 0.06 0.00 0.00 0.00 0.00 44.72 46.37 3h1a s GLY 142 CO -0.05 0.59 -0.24 0.51 0.00 0.00 0.00 173.10 173.91 3h1a s ASP 143 N -2.06 2.85 1.71 1.64 -4.77 -1.08 0.74 116.67 115.71 3h1a s ASP 143 Ca 0.08 -0.46 0.00 0.00 -3.30 0.00 0.00 52.55 48.87 3h1a s ASP 143 Cb -0.01 -0.62 0.00 0.00 -1.09 0.00 0.00 42.92 41.20 3h1a s ASP 143 CO -0.05 0.25 0.00 -0.24 0.70 0.00 0.00 175.17 175.83 3h1a n SER 144 N 2.81 0.00 -0.27 2.11 2.88 0.34 -0.12 113.62 121.37 3h1a n SER 144 Ca -0.17 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.53 3h1a n SER 144 Cb 0.52 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 64.41 3h1a n SER 144 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h1a h ALA 145 N -0.71 1.98 -0.40 -1.46 0.00 -1.86 0.19 119.26 117.00 3h1a h ALA 145 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3h1a h ALA 145 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3h1a h ALA 145 CO 0.00 -0.26 -0.01 0.78 0.00 0.00 0.00 179.25 179.76 3h1a h GLY 146 N 0.57 0.69 1.82 0.00 0.00 -0.55 -0.68 103.07 104.92 3h1a h GLY 146 Ca 0.48 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 3h1a h GLY 146 CO -0.23 0.41 -0.46 -1.33 0.00 0.00 0.00 176.54 174.93 3h1a h GLY 147 N 0.92 0.22 0.92 4.60 0.00 -0.62 -0.63 103.07 108.48 3h1a h GLY 147 Ca 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 3h1a h GLY 147 CO 0.02 0.20 -0.05 -1.33 0.00 0.00 0.00 176.54 175.37 3h1a h GLY 148 N 1.31 -0.14 0.48 4.60 0.00 -0.94 -3.16 103.07 105.22 3h1a h GLY 148 Ca 0.01 0.05 0.12 0.00 0.00 0.00 0.00 47.33 47.51 3h1a h GLY 148 CO 0.07 -0.05 0.63 -2.00 0.00 0.00 0.00 176.54 175.19 3h1a h LEU 149 N -0.21 0.90 -0.63 3.11 6.46 -0.86 0.43 115.31 124.51 3h1a h LEU 149 Ca -0.01 0.05 0.13 0.00 -0.12 0.00 0.00 57.88 57.93 3h1a h LEU 149 Cb 0.17 -0.13 -0.11 0.00 -0.73 0.00 0.00 40.66 39.86 3h1a h LEU 149 CO 0.02 0.48 -0.03 0.58 -0.62 0.00 0.00 178.44 178.87 3h1a h VAL 150 N 0.96 0.46 -0.19 1.05 2.07 -1.08 0.21 116.25 119.74 3h1a h VAL 150 Ca 0.49 -0.03 -0.21 0.00 0.82 0.00 0.00 66.70 67.77 3h1a h VAL 150 Cb 0.51 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3h1a h VAL 150 CO -0.26 0.02 -0.72 -0.07 0.02 0.00 0.00 177.57 176.55 3h1a h LEU 151 N 0.09 0.95 -0.22 2.57 -0.00 -0.99 -1.44 115.31 116.27 3h1a h LEU 151 Ca 0.33 -0.59 -0.02 0.00 -0.00 0.00 0.00 57.88 57.59 3h1a h LEU 151 Cb 0.53 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 3h1a h LEU 151 CO -0.56 1.40 0.07 0.00 -0.00 0.00 0.00 178.44 179.34 3h1a h ALA 152 N 0.59 0.29 -0.71 1.53 0.00 -0.65 -1.00 119.26 119.31 3h1a h ALA 152 Ca -0.04 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 54.89 3h1a h ALA 152 Cb 1.35 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 3h1a h ALA 152 CO 0.15 -0.09 0.18 0.28 0.00 0.00 0.00 179.25 179.77 3h1a h VAL 153 N 0.19 0.56 -0.56 0.00 2.07 -0.53 -0.47 116.25 117.50 3h1a h VAL 153 Ca 0.07 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 3h1a h VAL 153 Cb 0.23 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3h1a h VAL 153 CO -0.00 0.05 0.16 -0.07 0.02 0.00 0.00 177.57 177.73 3h1a h LEU 154 N 0.29 0.84 0.18 2.57 3.38 -0.65 0.41 115.31 122.32 3h1a h LEU 154 Ca 0.39 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3h1a h LEU 154 Cb 0.64 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3h1a h LEU 154 CO -0.47 0.84 -0.08 0.58 0.09 0.00 0.00 178.44 179.39 3h1a h VAL 155 N 0.80 0.94 -0.18 1.22 2.07 -0.98 0.91 116.25 121.03 3h1a h VAL 155 Ca 0.18 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3h1a h VAL 155 Cb 0.31 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3h1a h VAL 155 CO -0.00 0.17 0.12 -1.28 0.02 0.00 0.00 177.57 176.59 3h1a h SER 156 N -0.62 0.20 -0.31 0.57 0.87 -1.10 -0.43 113.55 112.72 3h1a h SER 156 Ca -0.02 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 3h1a h SER 156 Cb 0.46 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.32 3h1a h SER 156 CO 0.04 0.15 0.03 0.00 -0.53 0.00 0.00 176.83 176.52 3h1a h ALA 157 N 1.06 0.30 0.26 6.23 0.00 -0.84 -1.76 119.26 124.51 3h1a h ALA 157 Ca 0.06 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3h1a h ALA 157 Cb -0.02 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3h1a h ALA 157 CO -0.01 -0.38 -0.31 -0.09 0.00 0.00 0.00 179.25 178.46 3h1a h ARG 158 N 0.13 -0.60 -1.18 0.00 2.43 -0.57 -0.90 114.38 113.69 3h1a h ARG 158 Ca 0.15 0.04 0.36 0.00 -0.81 0.00 0.00 59.98 59.72 3h1a h ARG 158 Cb 0.18 0.14 -0.12 0.00 -0.42 0.00 0.00 29.97 29.75 3h1a h ARG 158 CO -0.22 -0.40 0.74 -0.44 -1.51 0.00 0.00 179.97 178.14 3h1a h ASP 159 N -0.62 0.35 -0.29 -3.80 3.32 -0.92 -0.35 116.42 114.11 3h1a h ASP 159 Ca -0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3h1a h ASP 159 Cb 0.59 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3h1a h ASP 159 CO -0.10 -0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.33 3h1a n GLN 160 N -4.73 1.77 -0.84 3.56 6.02 -0.68 -4.92 117.38 117.56 3h1a n GLN 160 Ca 0.33 -1.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.13 3h1a n GLN 160 Cb 1.19 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 31.15 3h1a n GLN 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h1a n GLY 161 N 1.06 0.54 3.80 1.08 0.00 -0.14 -5.05 105.19 106.49 3h1a n GLY 161 Ca 0.13 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3h1a n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1a s LEU 162 N 0.00 4.28 0.55 0.99 2.01 -0.42 -5.01 118.68 121.09 3h1a s LEU 162 Ca 0.00 1.60 -0.16 0.00 0.01 0.00 0.00 54.13 55.58 3h1a s LEU 162 Cb 0.00 -3.89 -0.06 0.00 0.01 0.00 0.00 46.19 42.25 3h1a s LEU 162 CO 0.00 -0.06 1.02 -2.16 1.01 0.00 0.00 176.35 176.16 3h1a s PRO 163 N -2.20 3.62 0.49 1.29 0.04 -1.26 -4.34 135.00 132.63 3h1a s PRO 163 Ca 0.49 1.09 -0.20 0.00 0.04 0.00 0.00 61.00 62.43 3h1a s PRO 163 Cb -0.16 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3h1a s PRO 163 CO 0.21 -0.56 1.01 -1.64 0.04 0.00 0.00 177.00 176.07 3h1a s MET 164 N -4.05 3.87 0.96 4.56 -1.94 -1.26 -4.96 119.30 116.48 3h1a s MET 164 Ca 0.62 1.24 -0.15 0.00 -1.71 0.00 0.00 55.69 55.69 3h1a s MET 164 Cb -0.13 -2.11 0.22 0.00 2.01 0.00 0.00 34.83 34.81 3h1a s MET 164 CO 0.34 -0.36 1.31 -1.25 -0.01 0.00 0.00 175.02 175.06 3h1a s PRO 165 N -3.39 0.49 0.38 2.03 0.04 -1.26 -4.65 135.00 128.63 3h1a s PRO 165 Ca 0.65 -0.63 0.20 0.00 0.04 0.00 0.00 61.00 61.26 3h1a s PRO 165 Cb -0.14 -1.89 0.50 0.00 0.04 0.00 0.00 34.50 33.01 3h1a s PRO 165 CO 0.21 -2.47 1.64 0.00 0.04 0.00 0.00 177.00 176.43 3h1a h ALA 166 N -1.62 0.88 -2.85 8.56 0.00 -0.89 -3.42 119.26 119.91 3h1a h ALA 166 Ca -0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 3h1a h ALA 166 Cb 1.22 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 3h1a h ALA 166 CO 0.32 0.38 0.23 -1.54 0.00 0.00 0.00 179.25 178.65 3h1a s SER 167 N -6.30 -0.56 -0.05 0.00 1.04 -1.25 -3.99 113.70 102.59 3h1a s SER 167 Ca 0.03 0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.49 3h1a s SER 167 Cb 0.08 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.80 3h1a s SER 167 CO 0.68 -0.91 0.12 0.00 0.98 0.00 0.00 173.24 174.11 3h1a s ALA 168 N -3.47 -0.24 -0.46 5.32 0.00 -0.15 -2.56 121.76 120.19 3h1a s ALA 168 Ca 0.00 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.44 3h1a s ALA 168 Cb -0.01 -0.29 0.14 0.00 0.00 0.00 0.00 23.12 22.96 3h1a s ALA 168 CO -0.11 -0.09 0.25 0.42 0.00 0.00 0.00 175.76 176.23 3h1a s ILE 169 N 0.54 1.62 -0.11 0.00 1.09 0.47 -1.35 121.20 123.46 3h1a s ILE 169 Ca -0.04 -2.73 -0.30 0.00 -1.10 0.00 0.00 60.65 56.49 3h1a s ILE 169 Cb -0.06 -2.13 -0.03 0.00 -1.06 0.00 0.00 42.46 39.18 3h1a s ILE 169 CO -0.02 -0.89 1.38 -2.16 -0.10 0.00 0.00 174.94 173.15 3h1a s PRO 170 N 0.20 4.23 -0.25 2.79 0.05 -1.20 -2.30 135.00 138.52 3h1a s PRO 170 Ca 0.18 1.84 -0.10 0.00 0.05 0.00 0.00 61.00 62.97 3h1a s PRO 170 Cb -0.24 -3.79 -0.05 0.00 0.05 0.00 0.00 34.50 30.48 3h1a s PRO 170 CO -0.01 -0.71 0.15 0.42 0.05 0.00 0.00 177.00 176.91 3h1a s ILE 171 N 3.43 5.19 -1.42 0.56 1.01 0.23 -2.01 121.20 128.19 3h1a s ILE 171 Ca 0.61 0.12 -0.08 0.00 0.00 0.00 0.00 60.65 61.31 3h1a s ILE 171 Cb -0.26 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.78 3h1a s ILE 171 CO 0.20 0.32 0.30 -1.20 0.00 0.00 0.00 174.94 174.57 3h1a n SER 172 N 4.55 -0.76 -4.77 3.58 7.64 0.26 -0.50 113.62 123.62 3h1a n SER 172 Ca -0.15 -1.18 -0.39 0.00 1.01 0.00 0.00 58.87 58.16 3h1a n SER 172 Cb 0.52 -2.20 -0.03 0.00 -1.01 0.00 0.00 64.21 61.50 3h1a n SER 172 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3h1a s PRO 173 N -7.03 4.22 -0.63 1.43 0.04 -1.26 -2.28 135.00 129.48 3h1a s PRO 173 Ca 0.12 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 3h1a s PRO 173 Cb -0.06 -2.82 0.10 0.00 0.04 0.00 0.00 34.50 31.77 3h1a s PRO 173 CO 0.95 -0.18 0.78 -0.46 0.04 0.00 0.00 177.00 178.12 3h1a s TRP 174 N -1.35 2.95 -0.18 0.56 -0.00 -0.12 -4.66 118.94 116.15 3h1a s TRP 174 Ca 0.54 -0.92 0.16 0.00 -0.00 0.00 0.00 56.10 55.88 3h1a s TRP 174 Cb -0.31 -4.08 0.45 0.00 -0.00 0.00 0.00 33.47 29.53 3h1a s TRP 174 CO 0.40 -1.37 1.34 0.00 -0.00 0.00 0.00 176.95 177.32 3h1a n ALA 175 N 6.57 2.96 -3.15 5.86 0.00 -1.26 -3.87 120.51 127.63 3h1a n ALA 175 Ca -0.06 -2.55 0.04 0.00 0.00 0.00 0.00 53.44 50.87 3h1a n ALA 175 Cb 0.43 -0.61 -0.00 0.00 0.00 0.00 0.00 19.45 19.28 3h1a n ALA 175 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h1a s ASP 176 N -2.34 -1.50 0.01 0.00 -1.08 -1.26 -1.20 116.67 109.30 3h1a s ASP 176 Ca 0.39 0.29 0.12 0.00 -0.52 0.00 0.00 52.55 52.83 3h1a s ASP 176 Cb 0.33 1.99 0.50 0.00 -1.46 0.00 0.00 42.92 44.29 3h1a s ASP 176 CO 0.05 -0.27 1.37 0.23 0.52 0.00 0.00 175.17 177.07 3h1a n MET 177 N 5.40 0.01 0.20 4.34 2.81 -1.26 -3.28 117.12 125.33 3h1a n MET 177 Ca 0.04 0.31 0.09 0.00 -1.81 0.00 0.00 57.70 56.33 3h1a n MET 177 Cb 0.54 -1.51 0.27 0.00 -0.71 0.00 0.00 33.22 31.80 3h1a n MET 177 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3h1a h THR 178 N 0.00 0.47 -6.42 2.03 1.35 -1.97 -3.48 112.91 104.90 3h1a h THR 178 Ca 0.00 -1.40 -0.48 0.00 -0.55 0.00 0.00 66.41 63.98 3h1a h THR 178 Cb 0.20 2.02 -0.03 0.00 -1.73 0.00 0.00 68.15 68.61 3h1a h THR 178 CO 0.00 0.24 -0.88 0.00 -0.25 0.00 0.00 175.52 174.62 3h1a n THR 180 N -4.37 0.00 -1.79 0.00 -2.24 -1.26 -4.98 114.28 99.64 3h1a n THR 180 Ca -0.30 -0.28 -0.36 0.00 -2.27 0.00 0.00 64.05 60.84 3h1a n THR 180 Cb 0.68 0.95 0.06 0.00 -2.10 0.00 0.00 70.33 69.92 3h1a n THR 180 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3h1a s ASN 181 N -1.95 4.73 0.52 3.42 0.02 -1.26 -4.89 114.94 115.54 3h1a s ASN 181 Ca 0.03 2.51 0.24 0.00 -1.02 0.00 0.00 52.86 54.62 3h1a s ASN 181 Cb 0.07 -2.61 1.36 0.00 0.02 0.00 0.00 41.25 40.09 3h1a s ASN 181 CO 0.37 -1.91 2.00 0.44 0.02 0.00 0.00 177.10 178.02 3h1a h ASP 182 N 0.54 0.04 0.64 -1.22 3.45 -1.96 -2.30 116.42 115.61 3h1a h ASP 182 Ca -0.50 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.96 3h1a h ASP 182 Cb 1.32 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.08 3h1a h ASP 182 CO 0.53 0.02 0.00 -1.54 -1.57 0.00 0.00 179.24 176.68 3h1a n SER 183 N -4.39 0.00 0.24 6.45 3.41 -1.26 -0.75 113.62 117.31 3h1a n SER 183 Ca 0.10 0.46 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 3h1a n SER 183 Cb 0.58 -0.48 0.57 0.00 -0.26 0.00 0.00 64.21 64.62 3h1a n SER 183 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3h1a h PHE 184 N 0.00 0.00 0.00 7.33 -1.00 -1.47 -2.06 116.94 119.74 3h1a h PHE 184 Ca 0.00 0.00 -0.41 0.00 2.81 0.00 0.00 57.97 60.37 3h1a h PHE 184 Cb 0.32 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.81 3h1a h PHE 184 CO 0.00 0.18 -2.49 1.63 -1.61 0.00 0.00 178.31 176.01 3h1a n LYS 185 N -3.45 0.62 0.16 1.51 5.02 -0.43 -4.30 118.16 117.29 3h1a n LYS 185 Ca -0.01 0.19 0.01 0.00 -2.02 0.00 0.00 58.31 56.48 3h1a n LYS 185 Cb 0.35 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.13 3h1a n LYS 185 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h1a h THR 186 N -0.33 1.34 0.00 -0.18 1.03 -0.96 -3.18 112.91 110.63 3h1a h THR 186 Ca -0.62 -1.64 0.00 0.00 -0.01 0.00 0.00 66.41 64.14 3h1a h THR 186 Cb 1.80 1.87 0.00 0.00 -1.07 0.00 0.00 68.15 70.75 3h1a h THR 186 CO -0.20 0.47 0.00 0.54 -0.01 0.00 0.00 175.52 176.32 3h1a n ARG 187 N -3.97 2.24 -0.05 0.00 5.12 -0.78 -4.79 116.66 114.42 3h1a n ARG 187 Ca -0.02 -1.30 -0.10 0.00 -1.93 0.00 0.00 57.85 54.51 3h1a n ARG 187 Cb 0.50 -0.98 -0.04 0.00 -1.16 0.00 0.00 32.46 30.78 3h1a n ARG 187 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h1a h ALA 188 N 0.00 0.27 -0.54 7.54 0.00 -1.63 -2.57 119.26 122.33 3h1a h ALA 188 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3h1a h ALA 188 Cb 0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3h1a h ALA 188 CO 0.00 -0.20 0.24 1.49 0.00 0.00 0.00 179.25 180.79 3h1a h GLU 189 N 0.23 0.79 0.00 0.00 4.81 -1.87 -3.10 114.58 115.44 3h1a h GLU 189 Ca 0.07 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3h1a h GLU 189 Cb 0.08 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3h1a h GLU 189 CO -0.01 0.66 0.00 0.00 -0.73 0.00 0.00 179.01 178.93 3h1a h ALA 190 N 1.08 1.00 -1.97 2.92 0.00 -1.86 -3.42 119.26 117.02 3h1a h ALA 190 Ca 0.18 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.40 3h1a h ALA 190 Cb 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.76 3h1a h ALA 190 CO -0.02 0.00 0.77 0.34 0.00 0.00 0.00 179.25 180.34 3h1a s ASP 191 N -4.44 6.61 0.00 0.00 -1.08 -0.98 -4.81 116.67 111.97 3h1a s ASP 191 Ca 0.04 -2.03 0.00 0.00 -0.52 0.00 0.00 52.55 50.04 3h1a s ASP 191 Cb 0.09 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 3h1a s ASP 191 CO 0.42 -1.05 0.73 -0.81 0.52 0.00 0.00 175.17 174.98 3h1a n PRO 192 N 6.45 0.82 0.00 4.34 -0.04 -1.26 -3.88 135.00 141.43 3h1a n PRO 192 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3h1a n PRO 192 Cb 0.49 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 3h1a n PRO 192 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 3h1a n MET 193 N -0.37 2.39 -3.50 0.54 1.56 -1.26 -4.67 117.12 111.80 3h1a n MET 193 Ca 0.00 0.00 -0.26 0.00 -0.27 0.00 0.00 57.70 57.17 3h1a n MET 193 Cb 0.04 -0.77 -0.14 0.00 2.15 0.00 0.00 33.22 34.51 3h1a n MET 193 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 3h1a s VAL 194 N -1.37 -0.12 0.46 1.12 1.01 -1.25 -5.06 120.40 115.20 3h1a s VAL 194 Ca 0.00 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 3h1a s VAL 194 Cb 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 3h1a s VAL 194 CO 0.00 -0.70 0.94 0.00 0.00 0.00 0.00 175.10 175.34 3h1a s ALA 195 N 2.03 3.09 0.49 5.51 0.00 -1.26 -4.92 121.76 126.69 3h1a s ALA 195 Ca 0.10 0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.39 3h1a s ALA 195 Cb -0.16 -3.09 0.04 0.00 0.00 0.00 0.00 23.12 19.91 3h1a s ALA 195 CO -0.32 -0.03 0.67 -2.14 0.00 0.00 0.00 175.76 173.94 3h1a s PRO 196 N -3.61 2.60 0.00 0.00 0.02 -1.26 -2.52 135.00 130.22 3h1a s PRO 196 Ca 0.59 -1.39 0.00 0.00 0.02 0.00 0.00 61.00 60.23 3h1a s PRO 196 Cb -0.10 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.72 3h1a s PRO 196 CO 0.23 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 3h1a n GLY 197 N -2.03 1.65 0.11 0.52 0.00 -1.26 -4.52 105.19 99.65 3h1a n GLY 197 Ca 0.11 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 3h1a n GLY 197 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h1a h GLY 198 N 0.00 0.29 2.00 -0.02 0.00 -1.97 -2.08 103.07 101.28 3h1a h GLY 198 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 3h1a h GLY 198 CO 0.00 0.16 -0.53 1.19 0.00 0.00 0.00 176.54 177.35 3h1a h ILE 199 N 0.10 1.04 -0.02 2.60 2.10 -1.72 -3.01 117.51 118.61 3h1a h ILE 199 Ca 0.06 -2.10 -0.16 0.00 1.08 0.00 0.00 64.86 63.73 3h1a h ILE 199 Cb 0.22 2.26 -0.02 0.00 -1.09 0.00 0.00 36.82 38.20 3h1a h ILE 199 CO -0.00 0.52 -0.73 0.78 -1.08 0.00 0.00 178.15 177.64 3h1a h ASN 200 N 0.00 0.14 -0.25 2.19 2.35 -1.86 -2.73 115.58 115.42 3h1a h ASN 200 Ca -0.01 -0.10 -0.15 0.00 -0.55 0.00 0.00 56.30 55.50 3h1a h ASN 200 Cb 1.22 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.55 3h1a h ASN 200 CO 0.07 0.82 -0.42 0.50 -1.65 0.00 0.00 177.43 176.75 3h1a h LYS 201 N 0.07 0.72 0.07 0.81 1.63 -1.29 -1.94 116.57 116.64 3h1a h LYS 201 Ca -0.02 -0.44 0.02 0.00 -0.85 0.00 0.00 60.65 59.36 3h1a h LYS 201 Cb 1.29 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.92 3h1a h LYS 201 CO 0.10 1.07 -0.44 0.52 -3.45 0.00 0.00 179.45 177.25 3h1a h MET 202 N 0.45 -0.62 -0.63 1.90 2.86 -1.50 0.21 114.93 117.59 3h1a h MET 202 Ca 0.02 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.83 3h1a h MET 202 Cb 1.02 0.14 -0.11 0.00 0.06 0.00 0.00 31.60 32.71 3h1a h MET 202 CO 0.10 -0.41 -0.04 0.00 1.06 0.00 0.00 176.91 177.61 3h1a h ALA 203 N -0.18 0.57 0.13 6.32 0.00 -1.44 0.14 119.26 124.80 3h1a h ALA 203 Ca 0.03 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3h1a h ALA 203 Cb 0.69 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3h1a h ALA 203 CO -0.28 -0.41 -0.06 0.00 0.00 0.00 0.00 179.25 178.49 3h1a h ALA 204 N 1.59 -0.18 0.00 0.00 0.00 -0.67 0.49 119.26 120.49 3h1a h ALA 204 Ca 0.32 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3h1a h ALA 204 Cb 0.53 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3h1a h ALA 204 CO -0.57 -0.57 -0.00 0.00 0.00 0.00 0.00 179.25 178.10 3h1a h ARG 205 N -0.23 0.00 0.07 0.00 3.08 0.00 0.18 114.38 117.48 3h1a h ARG 205 Ca -0.02 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 3h1a h ARG 205 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3h1a h ARG 205 CO 0.03 0.00 -0.74 -0.92 -1.07 0.00 0.00 179.97 177.27 3h1a h TYR 206 N 0.00 0.28 -0.22 3.04 3.20 0.58 -3.37 116.97 120.49 3h1a h TYR 206 Ca -0.00 -0.21 -0.19 0.00 3.14 0.00 0.00 58.73 61.48 3h1a h TYR 206 Cb 0.01 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3h1a h TYR 206 CO 0.00 1.29 -0.61 -0.07 -1.64 0.00 0.00 178.16 177.12 3h1a h LEU 207 N -0.63 0.84 -1.28 2.82 3.38 0.01 -0.31 115.31 120.14 3h1a h LEU 207 Ca -0.16 -0.48 -0.52 0.00 0.09 0.00 0.00 57.88 56.82 3h1a h LEU 207 Cb 1.42 -0.24 -0.12 0.00 0.09 0.00 0.00 40.66 41.81 3h1a h LEU 207 CO 0.04 1.25 -0.83 -3.20 0.09 0.00 0.00 178.44 175.80 3h1a n ASN 208 N -3.96 -2.92 0.00 -0.43 5.15 0.04 -1.31 115.26 111.82 3h1a n ASN 208 Ca -0.05 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 3h1a n ASN 208 Cb 0.65 -3.14 0.00 0.00 -0.53 0.00 0.00 39.78 36.77 3h1a n ASN 208 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h1a n GLY 209 N -1.61 2.17 3.72 8.20 0.00 -1.26 -5.08 105.19 111.32 3h1a n GLY 209 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3h1a n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1a s ALA 210 N -2.57 2.15 -0.24 4.61 0.00 -0.43 -4.93 121.76 120.35 3h1a s ALA 210 Ca 0.00 1.02 -0.37 0.00 0.00 0.00 0.00 51.96 52.62 3h1a s ALA 210 Cb 0.00 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 3h1a s ALA 210 CO 0.00 -1.87 1.92 -3.47 0.00 0.00 0.00 175.76 172.34 3h1a n ASP 211 N -2.51 2.69 0.10 0.00 -0.08 -1.26 -4.84 116.55 110.64 3h1a n ASP 211 Ca 0.15 0.86 0.08 0.00 -1.51 0.00 0.00 54.79 54.37 3h1a n ASP 211 Cb 0.49 -1.25 0.40 0.00 2.34 0.00 0.00 41.12 43.10 3h1a n ASP 211 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3h1a n ALA 212 N 7.06 1.30 -0.18 -1.67 0.00 -1.26 -0.91 120.51 124.85 3h1a n ALA 212 Ca 0.29 0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.92 3h1a n ALA 212 Cb 0.21 -1.26 0.24 0.00 0.00 0.00 0.00 19.45 18.64 3h1a n ALA 212 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h1a n LYS 213 N -1.99 2.66 -1.68 0.00 5.02 -1.26 -4.19 118.16 116.71 3h1a n LYS 213 Ca 0.01 -2.36 -0.45 0.00 -2.02 0.00 0.00 58.31 53.49 3h1a n LYS 213 Cb 0.10 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 3h1a n LYS 213 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3h1a n HIS 214 N 1.23 2.41 0.03 2.13 -0.00 -0.09 -4.79 115.22 116.15 3h1a n HIS 214 Ca 0.19 0.22 0.16 0.00 0.46 0.00 0.00 57.72 58.75 3h1a n HIS 214 Cb 0.55 -2.57 0.64 0.00 -0.12 0.00 0.00 29.99 28.48 3h1a n HIS 214 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3h1a h PRO 215 N 5.96 0.08 0.00 1.57 0.11 -1.86 0.69 132.00 138.56 3h1a h PRO 215 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h1a h PRO 215 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3h1a h PRO 215 CO 0.89 0.06 -0.61 1.88 -0.21 0.00 0.00 178.00 180.01 3h1a h TYR 216 N 0.09 0.00 0.08 0.65 0.99 -1.91 -2.89 116.97 113.98 3h1a h TYR 216 Ca 0.21 0.00 -0.35 0.00 2.00 0.00 0.00 58.73 60.59 3h1a h TYR 216 Cb 0.73 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.43 3h1a h TYR 216 CO -0.00 0.00 -1.98 0.00 -0.00 0.00 0.00 178.16 176.18 3h1a n ALA 217 N -2.04 0.96 -3.80 3.88 0.00 -0.32 -4.71 120.51 114.49 3h1a n ALA 217 Ca 0.02 -0.67 -0.28 0.00 0.00 0.00 0.00 53.44 52.51 3h1a n ALA 217 Cb 0.51 -0.54 -0.12 0.00 0.00 0.00 0.00 19.45 19.30 3h1a n ALA 217 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3h1a s SER 218 N -6.96 4.02 0.03 0.00 0.01 0.23 -4.63 113.70 106.41 3h1a s SER 218 Ca -0.26 -3.44 0.08 0.00 1.31 0.00 0.00 55.95 53.63 3h1a s SER 218 Cb 0.07 -1.35 0.35 0.00 0.21 0.00 0.00 66.02 65.30 3h1a s SER 218 CO 0.70 -0.14 1.24 -2.65 0.41 0.00 0.00 173.24 172.81 3h1a n PRO 219 N 2.48 0.02 0.13 12.44 -0.02 -1.09 -1.00 135.00 147.96 3h1a n PRO 219 Ca 0.18 0.41 0.09 0.00 -2.02 0.00 0.00 63.50 62.16 3h1a n PRO 219 Cb 0.37 -1.54 0.48 0.00 -0.02 0.00 0.00 33.50 32.78 3h1a n PRO 219 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3h1a n ASN 220 N -1.58 0.47 -0.70 2.55 4.13 -0.34 -0.70 115.26 119.10 3h1a n ASN 220 Ca 0.01 0.71 0.07 0.00 1.68 0.00 0.00 54.58 57.05 3h1a n ASN 220 Cb 0.08 -0.77 0.13 0.00 -1.54 0.00 0.00 39.78 37.67 3h1a n ASN 220 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3h1a n PHE 221 N -2.12 0.28 -2.80 3.10 3.01 -0.17 -4.95 117.46 113.82 3h1a n PHE 221 Ca -0.01 -0.24 -0.24 0.00 1.01 0.00 0.00 57.45 57.97 3h1a n PHE 221 Cb 0.05 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 39.53 3h1a n PHE 221 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h1a s ALA 222 N -1.11 3.59 -0.38 4.37 0.00 0.12 -4.76 121.76 123.60 3h1a s ALA 222 Ca 0.23 -0.90 -0.26 0.00 0.00 0.00 0.00 51.96 51.03 3h1a s ALA 222 Cb 0.14 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.96 3h1a s ALA 222 CO 0.19 -0.49 0.94 1.21 0.00 0.00 0.00 175.76 177.61 3h1a s ASN 223 N -4.23 6.67 0.00 0.00 3.04 -1.26 -4.91 114.94 114.25 3h1a s ASN 223 Ca 0.50 0.55 0.25 0.00 0.04 0.00 0.00 52.86 54.19 3h1a s ASN 223 Cb -0.10 -2.47 0.63 0.00 -1.54 0.00 0.00 41.25 37.77 3h1a s ASN 223 CO 0.41 -0.89 1.50 0.18 -3.04 0.00 0.00 177.10 175.26 3h1a n LEU 224 N 6.85 2.31 -4.71 3.21 4.77 -1.26 -4.94 117.00 123.23 3h1a n LEU 224 Ca 0.07 -0.85 -0.42 0.00 -0.03 0.00 0.00 56.01 54.78 3h1a n LEU 224 Cb 0.48 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 3h1a n LEU 224 CO 0.59 0.43 1.39 -0.75 -1.33 0.00 0.00 177.39 177.72 3h1a s LYS 225 N -1.87 4.14 0.00 3.23 2.20 -1.26 -2.54 119.74 123.63 3h1a s LYS 225 Ca 0.34 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.53 3h1a s LYS 225 Cb 0.20 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 3h1a s LYS 225 CO 0.31 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 3h1a n GLY 226 N 4.04 0.52 3.81 5.54 0.00 -1.26 -5.08 105.19 112.75 3h1a n GLY 226 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3h1a n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1a s LEU 227 N 0.00 3.30 0.88 0.99 1.43 -1.05 -4.91 118.68 119.31 3h1a s LEU 227 Ca 0.00 1.70 -0.10 0.00 -1.03 0.00 0.00 54.13 54.70 3h1a s LEU 227 Cb 0.00 -4.51 0.18 0.00 0.03 0.00 0.00 46.19 41.88 3h1a s LEU 227 CO 0.00 -1.31 1.21 -2.16 0.23 0.00 0.00 176.35 174.32 3h1a s PRO 228 N -4.60 1.00 0.44 1.29 0.04 -1.26 -4.70 135.00 127.21 3h1a s PRO 228 Ca 0.60 -0.69 -0.24 0.00 0.04 0.00 0.00 61.00 60.71 3h1a s PRO 228 Cb -0.15 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 3h1a s PRO 228 CO 0.47 -2.08 1.12 -2.30 0.04 0.00 0.00 177.00 174.25 3h1a n PRO 229 N -3.43 1.54 -4.92 0.56 -0.02 -1.26 -4.68 135.00 122.79 3h1a n PRO 229 Ca 0.15 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 3h1a n PRO 229 Cb 0.60 -2.21 -0.15 0.00 -0.02 0.00 0.00 33.50 31.72 3h1a n PRO 229 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3h1a s LEU 230 N -1.25 2.54 -0.28 2.45 1.02 0.12 -0.98 118.68 122.30 3h1a s LEU 230 Ca 0.64 -0.38 -0.09 0.00 0.02 0.00 0.00 54.13 54.32 3h1a s LEU 230 Cb -0.52 -1.55 -0.02 0.00 0.02 0.00 0.00 46.19 44.12 3h1a s LEU 230 CO 0.56 0.19 0.12 -0.22 0.02 0.00 0.00 176.35 177.02 3h1a s LEU 231 N 0.21 3.80 -0.24 1.79 0.20 -0.46 -1.90 118.68 122.09 3h1a s LEU 231 Ca -0.10 -0.31 -0.07 0.00 0.69 0.00 0.00 54.13 54.33 3h1a s LEU 231 Cb -0.16 -1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 43.59 3h1a s LEU 231 CO 0.06 -0.10 0.07 -0.63 -0.29 0.00 0.00 176.35 175.46 3h1a s ILE 232 N 1.63 4.41 -0.17 6.68 1.01 0.45 -3.21 121.20 132.00 3h1a s ILE 232 Ca 0.06 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.49 3h1a s ILE 232 Cb -0.16 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 3h1a s ILE 232 CO 0.06 0.36 0.09 -1.00 0.00 0.00 0.00 174.94 174.45 3h1a s HIS 233 N 1.41 3.36 0.14 3.97 3.76 -0.85 -0.65 115.29 126.43 3h1a s HIS 233 Ca 0.05 0.25 -0.08 0.00 -0.15 0.00 0.00 55.06 55.13 3h1a s HIS 233 Cb -0.15 -2.06 -0.01 0.00 1.11 0.00 0.00 32.58 31.47 3h1a s HIS 233 CO 0.04 0.32 0.24 0.54 -0.85 0.00 0.00 174.74 175.03 3h1a s VAL 234 N 0.03 0.09 -0.08 -0.90 0.11 -1.11 0.89 120.40 119.43 3h1a s VAL 234 Ca 0.07 -1.40 -0.05 0.00 -2.93 0.00 0.00 61.98 57.67 3h1a s VAL 234 Cb -0.12 -1.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 3h1a s VAL 234 CO 0.00 -0.39 0.13 -0.83 -3.33 0.00 0.00 175.10 170.68 3h1a s GLY 235 N -2.95 2.11 0.45 6.54 0.00 -1.26 -2.16 107.32 110.05 3h1a s GLY 235 Ca 0.15 -0.71 0.11 0.00 0.00 0.00 0.00 44.72 44.27 3h1a s GLY 235 CO -0.02 -0.50 2.09 -0.09 0.00 0.00 0.00 173.10 174.58 3h1a h ARG 236 N 4.65 0.30 -1.79 2.90 2.43 -1.44 -3.18 114.38 118.26 3h1a h ARG 236 Ca -0.53 -0.02 -0.59 0.00 -0.81 0.00 0.00 59.98 58.03 3h1a h ARG 236 Cb 1.21 -0.07 -0.22 0.00 -0.42 0.00 0.00 29.97 30.47 3h1a h ARG 236 CO 0.60 0.21 0.69 -0.25 -1.51 0.00 0.00 179.97 179.72 3h1a n ASP 237 N -4.49 7.01 -4.15 -3.80 8.00 -0.43 -4.91 116.55 113.78 3h1a n ASP 237 Ca 0.00 -3.49 -0.19 0.00 0.71 0.00 0.00 54.79 51.83 3h1a n ASP 237 Cb 0.08 -1.12 -0.13 0.00 -0.02 0.00 0.00 41.12 39.94 3h1a n ASP 237 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3h1a s GLU 238 N -2.84 0.86 0.51 -1.24 -1.05 -1.20 -3.62 118.70 110.13 3h1a s GLU 238 Ca 0.54 -0.85 0.21 0.00 -0.15 0.00 0.00 54.97 54.72 3h1a s GLU 238 Cb 0.40 -0.87 1.35 0.00 -0.44 0.00 0.00 34.13 34.58 3h1a s GLU 238 CO -0.23 0.20 2.11 0.28 0.95 0.00 0.00 175.26 178.58 3h1a h VAL 239 N 4.41 0.86 -0.27 1.83 2.07 -1.77 -2.03 116.25 121.34 3h1a h VAL 239 Ca -0.39 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3h1a h VAL 239 Cb 1.19 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3h1a h VAL 239 CO 0.42 0.08 0.00 0.18 0.02 0.00 0.00 177.57 178.27 3h1a n LEU 240 N -4.16 1.78 -0.10 2.57 4.77 -1.26 -3.63 117.00 116.98 3h1a n LEU 240 Ca -0.03 -0.90 -0.10 0.00 -0.03 0.00 0.00 56.01 54.95 3h1a n LEU 240 Cb 0.16 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 3h1a n LEU 240 CO 0.32 0.38 0.58 0.25 -1.33 0.00 0.00 177.39 177.60 3h1a h LEU 241 N 1.63 -1.37 -1.07 2.23 6.46 -1.62 -2.77 115.31 118.80 3h1a h LEU 241 Ca 0.00 0.21 0.08 0.00 -0.12 0.00 0.00 57.88 58.05 3h1a h LEU 241 Cb 0.52 0.59 -0.07 0.00 -0.73 0.00 0.00 40.66 40.98 3h1a h LEU 241 CO 0.04 -0.38 0.62 0.44 -0.62 0.00 0.00 178.44 178.55 3h1a h ASP 242 N -0.36 0.95 -0.78 1.25 3.32 -1.86 0.27 116.42 119.22 3h1a h ASP 242 Ca 0.13 0.02 0.16 0.00 0.02 0.00 0.00 57.03 57.35 3h1a h ASP 242 Cb 0.59 -0.18 -0.10 0.00 0.22 0.00 0.00 39.33 39.86 3h1a h ASP 242 CO -0.53 0.58 0.31 0.44 -1.72 0.00 0.00 179.24 178.31 3h1a h ASP 243 N 1.06 0.26 -0.04 6.45 3.45 -1.81 0.18 116.42 125.97 3h1a h ASP 243 Ca 0.44 0.12 -0.16 0.00 0.43 0.00 0.00 57.03 57.85 3h1a h ASP 243 Cb 0.29 0.11 0.01 0.00 -0.56 0.00 0.00 39.33 39.18 3h1a h ASP 243 CO -0.19 0.07 -0.61 0.28 -1.57 0.00 0.00 179.24 177.22 3h1a h SER 244 N 0.42 0.61 -0.46 6.45 0.02 -1.11 0.85 113.55 120.34 3h1a h SER 244 Ca 0.44 -0.71 0.04 0.00 -0.84 0.00 0.00 61.79 60.72 3h1a h SER 244 Cb 0.71 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 3h1a h SER 244 CO -0.44 1.24 0.22 0.40 -1.14 0.00 0.00 176.83 177.11 3h1a h ILE 245 N 0.04 0.95 -0.12 3.27 2.04 -0.50 -2.13 117.51 121.06 3h1a h ILE 245 Ca -0.07 -0.15 -0.16 0.00 1.00 0.00 0.00 64.86 65.48 3h1a h ILE 245 Cb 1.29 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3h1a h ILE 245 CO 0.12 0.08 -0.60 0.11 0.00 0.00 0.00 178.15 177.86 3h1a h LYS 246 N 0.44 0.40 -0.86 2.37 1.57 -0.64 -1.96 116.57 117.89 3h1a h LYS 246 Ca 0.20 -0.27 0.09 0.00 -1.87 0.00 0.00 60.65 58.80 3h1a h LYS 246 Cb 0.12 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 3h1a h LYS 246 CO -0.15 0.88 0.51 1.25 -0.57 0.00 0.00 179.45 181.37 3h1a h LEU 247 N 0.30 0.75 -0.09 2.94 5.85 -0.68 0.21 115.31 124.58 3h1a h LEU 247 Ca -0.01 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3h1a h LEU 247 Cb 1.13 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3h1a h LEU 247 CO 0.10 0.44 -0.23 -0.78 -0.34 0.00 0.00 178.44 177.63 3h1a h ASP 248 N 0.86 0.36 -0.40 1.25 3.58 -1.04 -1.02 116.42 120.01 3h1a h ASP 248 Ca 0.41 -0.59 0.04 0.00 0.42 0.00 0.00 57.03 57.31 3h1a h ASP 248 Cb 0.33 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 3h1a h ASP 248 CO -0.23 0.88 0.16 0.00 -2.88 0.00 0.00 179.24 177.17 3h1a h ALA 249 N 0.48 0.48 0.07 -0.78 0.00 -1.22 0.38 119.26 118.68 3h1a h ALA 249 Ca -0.00 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3h1a h ALA 249 Cb 0.84 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3h1a h ALA 249 CO 0.05 -0.23 -0.12 -0.22 0.00 0.00 0.00 179.25 178.73 3h1a h LYS 250 N 0.33 -0.23 0.15 0.00 1.63 -0.86 -0.77 116.57 116.81 3h1a h LYS 250 Ca 0.18 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 60.01 3h1a h LYS 250 Cb 0.14 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 3h1a h LYS 250 CO -0.17 -0.16 -0.44 0.00 -3.45 0.00 0.00 179.45 175.24 3h1a h ALA 251 N 0.66 -0.80 -0.62 5.00 0.00 -1.05 0.26 119.26 122.70 3h1a h ALA 251 Ca 0.02 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.96 3h1a h ALA 251 Cb 0.26 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 3h1a h ALA 251 CO -0.07 -1.01 0.13 0.87 0.00 0.00 0.00 179.25 179.17 3h1a h LYS 252 N -0.69 0.25 -0.53 0.00 1.57 -0.88 0.12 116.57 116.41 3h1a h LYS 252 Ca 0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3h1a h LYS 252 Cb 0.70 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 3h1a h LYS 252 CO -0.24 0.16 0.25 0.00 -0.57 0.00 0.00 179.45 179.06 3h1a h ALA 253 N 1.50 1.45 -0.01 3.86 0.00 -0.66 -2.69 119.26 122.71 3h1a h ALA 253 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3h1a h ALA 253 Cb 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3h1a h ALA 253 CO -0.43 0.44 -0.02 -0.25 0.00 0.00 0.00 179.25 178.99 3h1a n ASP 254 N -4.37 0.88 0.00 0.00 9.92 0.87 -4.92 116.55 118.93 3h1a n ASP 254 Ca 0.04 -1.20 0.00 0.00 -0.53 0.00 0.00 54.79 53.10 3h1a n ASP 254 Cb 0.13 -0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 3h1a n ASP 254 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3h1a n GLY 255 N 1.14 0.55 3.73 0.44 0.00 -0.61 -4.11 105.19 106.34 3h1a n GLY 255 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3h1a n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1a s VAL 256 N -2.00 4.86 -0.48 1.61 1.01 0.31 -4.91 120.40 120.80 3h1a s VAL 256 Ca 0.00 1.59 -0.27 0.00 0.00 0.00 0.00 61.98 63.30 3h1a s VAL 256 Cb 0.00 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3h1a s VAL 256 CO 0.00 0.31 2.00 -0.54 0.00 0.00 0.00 175.10 176.87 3h1a s LYS 257 N 0.33 2.73 -0.05 2.72 3.01 -1.26 -3.74 119.74 123.49 3h1a s LYS 257 Ca 0.39 1.12 0.05 0.00 -1.01 0.00 0.00 55.97 56.52 3h1a s LYS 257 Cb -0.19 -4.38 -0.02 0.00 -1.01 0.00 0.00 37.83 32.22 3h1a s LYS 257 CO 0.22 -2.58 -0.18 0.45 0.51 0.00 0.00 175.35 173.77 3h1a s SER 258 N 8.51 3.69 -0.10 2.83 0.15 -1.26 -0.70 113.70 126.82 3h1a s SER 258 Ca 0.80 -0.30 -0.00 0.00 0.70 0.00 0.00 55.95 57.14 3h1a s SER 258 Cb -0.18 -0.76 0.02 0.00 -1.71 0.00 0.00 66.02 63.39 3h1a s SER 258 CO 0.26 0.32 -0.07 -0.89 1.20 0.00 0.00 173.24 174.07 3h1a s THR 259 N -0.58 0.92 -0.14 6.45 2.01 -0.80 -4.98 115.64 118.52 3h1a s THR 259 Ca 0.08 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.85 3h1a s THR 259 Cb -0.11 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 3h1a s THR 259 CO 0.01 0.35 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.92 3h1a s LEU 260 N 1.65 2.59 -0.17 4.42 0.20 -1.26 -0.41 118.68 125.69 3h1a s LEU 260 Ca 0.03 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.46 3h1a s LEU 260 Cb -0.13 -1.59 0.02 0.00 -0.43 0.00 0.00 46.19 44.07 3h1a s LEU 260 CO -0.07 0.12 -0.19 -1.61 -0.29 0.00 0.00 176.35 174.31 3h1a s GLU 261 N 0.61 2.89 -0.29 1.98 2.02 0.17 -4.97 118.70 121.12 3h1a s GLU 261 Ca -0.08 -0.79 -0.11 0.00 0.02 0.00 0.00 54.97 54.01 3h1a s GLU 261 Cb -0.16 -2.49 -0.05 0.00 0.10 0.00 0.00 34.13 31.54 3h1a s GLU 261 CO 0.03 -0.20 0.20 0.42 0.02 0.00 0.00 175.26 175.73 3h1a s ILE 262 N 1.29 5.30 -0.31 -1.63 1.01 -1.26 -2.74 121.20 122.86 3h1a s ILE 262 Ca 0.04 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.72 3h1a s ILE 262 Cb -0.13 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 3h1a s ILE 262 CO -0.12 0.22 0.19 0.26 0.00 0.00 0.00 174.94 175.49 3h1a s TRP 263 N 1.76 3.20 0.62 3.97 0.52 -0.92 -4.82 118.94 123.28 3h1a s TRP 263 Ca 0.07 -0.29 -0.16 0.00 0.02 0.00 0.00 56.10 55.74 3h1a s TRP 263 Cb -0.16 -2.40 -0.02 0.00 -1.15 0.00 0.00 33.47 29.74 3h1a s TRP 263 CO 0.11 -0.35 1.12 -0.51 0.02 0.00 0.00 176.95 177.34 3h1a s ASP 264 N 1.68 5.27 0.00 2.95 -0.00 -1.26 -1.99 116.67 123.32 3h1a s ASP 264 Ca 0.06 2.07 0.00 0.00 -0.00 0.00 0.00 52.55 54.68 3h1a s ASP 264 Cb -0.17 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.19 3h1a s ASP 264 CO 0.09 -1.52 0.00 0.47 -0.00 0.00 0.00 175.17 174.20 3h1a n ASP 265 N -2.07 -3.25 -4.92 0.27 10.43 -1.26 -4.82 116.55 110.92 3h1a n ASP 265 Ca 0.11 0.00 -0.28 0.00 2.57 0.00 0.00 54.79 57.19 3h1a n ASP 265 Cb 0.52 -2.94 -0.03 0.00 1.84 0.00 0.00 41.12 40.50 3h1a n ASP 265 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 3h1a s MET 266 N -1.50 3.57 0.40 -1.24 -1.94 -1.07 -4.79 119.30 112.73 3h1a s MET 266 Ca 0.00 -0.18 0.08 0.00 -1.71 0.00 0.00 55.69 53.88 3h1a s MET 266 Cb 0.00 -2.73 -0.02 0.00 2.01 0.00 0.00 34.83 34.09 3h1a s MET 266 CO 0.00 0.29 0.37 0.96 -0.01 0.00 0.00 175.02 176.63 3h1a s ILE 267 N -2.01 2.88 -0.40 2.53 -4.36 -1.26 -1.31 121.20 117.28 3h1a s ILE 267 Ca 0.41 -1.33 -0.36 0.00 -0.26 0.00 0.00 60.65 59.11 3h1a s ILE 267 Cb -0.11 -3.04 -0.15 0.00 1.25 0.00 0.00 42.46 40.40 3h1a s ILE 267 CO 0.30 -0.04 1.45 1.57 0.24 0.00 0.00 174.94 178.46 3h1a n HIS 268 N -1.52 1.18 -3.87 1.37 -0.00 -1.26 -2.17 115.22 108.95 3h1a n HIS 268 Ca 0.03 0.78 -0.27 0.00 -0.00 0.00 0.00 57.72 58.25 3h1a n HIS 268 Cb 0.61 -1.79 -0.00 0.00 -0.00 0.00 0.00 29.99 28.82 3h1a n HIS 268 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3h1a n VAL 269 N 4.04 -3.84 0.28 3.57 0.31 -1.26 -4.79 118.33 116.64 3h1a n VAL 269 Ca 0.33 -0.62 0.17 0.00 -0.01 0.00 0.00 64.34 64.21 3h1a n VAL 269 Cb -0.04 -3.14 0.80 0.00 -0.91 0.00 0.00 33.84 30.55 3h1a n VAL 269 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 3h1a h TRP 270 N -1.88 0.00 -1.21 3.52 0.09 -1.84 -1.05 115.95 113.57 3h1a h TRP 270 Ca -0.64 0.00 0.40 0.00 0.09 0.00 0.00 58.89 58.74 3h1a h TRP 270 Cb 1.37 0.00 -0.13 0.00 0.08 0.00 0.00 29.16 30.48 3h1a h TRP 270 CO 0.45 0.05 0.76 0.45 0.09 0.00 0.00 178.44 180.24 3h1a h HIS 271 N 0.00 0.62 0.00 0.12 3.86 -1.87 -1.14 115.15 116.74 3h1a h HIS 271 Ca -0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3h1a h HIS 271 Cb 0.37 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3h1a h HIS 271 CO 0.00 -0.19 0.00 0.00 0.86 0.00 0.00 177.93 178.60 3h1a h ALA 272 N 1.67 1.00 -0.48 2.45 0.00 -1.53 -1.09 119.26 121.28 3h1a h ALA 272 Ca 0.78 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.69 3h1a h ALA 272 Cb 2.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.08 3h1a h ALA 272 CO -0.46 0.00 0.00 1.19 0.00 0.00 0.00 179.25 179.98 3h1a n PHE 273 N -2.33 1.54 -0.28 0.00 3.01 -0.43 -4.71 117.46 114.25 3h1a n PHE 273 Ca 0.02 -0.75 0.21 0.00 1.01 0.00 0.00 57.45 57.94 3h1a n PHE 273 Cb 0.22 -0.38 0.39 0.00 -0.01 0.00 0.00 39.48 39.70 3h1a n PHE 273 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 3h1a n HIS 274 N 0.34 0.79 -0.28 1.38 1.44 -0.41 -1.51 115.22 116.98 3h1a n HIS 274 Ca 0.25 1.01 0.10 0.00 -2.01 0.00 0.00 57.72 57.07 3h1a n HIS 274 Cb 1.01 -1.29 0.34 0.00 0.12 0.00 0.00 29.99 30.17 3h1a n HIS 274 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 3h1a h PRO 275 N 0.00 0.76 -0.12 -1.40 0.11 -1.88 -2.54 132.00 126.93 3h1a h PRO 275 Ca 0.63 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.70 3h1a h PRO 275 Cb 1.54 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3h1a h PRO 275 CO -0.72 0.50 0.00 0.00 -0.21 0.00 0.00 178.00 177.57 3h1a n MET 276 N -4.55 1.74 -3.85 1.05 0.00 -0.95 -4.97 117.12 105.58 3h1a n MET 276 Ca 0.17 -1.44 -0.29 0.00 0.00 0.00 0.00 57.70 56.14 3h1a n MET 276 Cb 0.40 -1.13 -0.16 0.00 0.00 0.00 0.00 33.22 32.33 3h1a n MET 276 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 3h1a s LEU 277 N -0.81 2.05 0.31 3.17 2.96 -0.57 -4.91 118.68 120.88 3h1a s LEU 277 Ca 0.10 -1.09 0.04 0.00 -0.22 0.00 0.00 54.13 52.97 3h1a s LEU 277 Cb 0.06 -0.94 0.67 0.00 0.50 0.00 0.00 46.19 46.48 3h1a s LEU 277 CO 0.08 -0.28 1.83 -0.65 -1.32 0.00 0.00 176.35 176.01 3h1a h PRO 278 N 8.07 0.84 -0.10 0.98 0.11 -1.89 -0.75 132.00 139.27 3h1a h PRO 278 Ca -0.17 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.84 3h1a h PRO 278 Cb 1.08 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3h1a h PRO 278 CO 0.39 0.56 -0.20 0.93 -0.21 0.00 0.00 178.00 179.46 3h1a h GLU 279 N 0.86 0.16 0.03 1.05 3.07 -1.95 -0.34 114.58 117.47 3h1a h GLU 279 Ca 0.50 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.32 3h1a h GLU 279 Cb 0.65 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3h1a h GLU 279 CO -0.27 0.36 -0.01 0.78 -1.40 0.00 0.00 179.01 178.46 3h1a h GLY 280 N 0.80 -0.04 0.61 -3.84 0.00 -1.38 0.09 103.07 99.32 3h1a h GLY 280 Ca 0.03 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.41 3h1a h GLY 280 CO 0.03 -0.01 0.00 0.50 0.00 0.00 0.00 176.54 177.06 3h1a h LYS 281 N -0.21 0.08 -0.19 4.80 1.57 -0.96 -2.54 116.57 119.11 3h1a h LYS 281 Ca -0.00 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 3h1a h LYS 281 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3h1a h LYS 281 CO 0.01 0.05 -0.41 1.96 -0.57 0.00 0.00 179.45 180.49 3h1a h GLN 282 N 0.08 0.43 -0.45 3.15 4.20 -0.84 -1.58 115.11 120.09 3h1a h GLN 282 Ca 0.12 -0.21 -0.13 0.00 0.06 0.00 0.00 58.65 58.49 3h1a h GLN 282 Cb 0.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3h1a h GLN 282 CO -0.20 0.77 -0.22 0.00 -0.67 0.00 0.00 178.83 178.51 3h1a h ALA 283 N 1.21 0.76 -0.43 3.87 0.00 -0.92 -1.47 119.26 122.28 3h1a h ALA 283 Ca 0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3h1a h ALA 283 Cb 0.87 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3h1a h ALA 283 CO 0.07 0.66 0.21 0.82 0.00 0.00 0.00 179.25 181.01 3h1a h ILE 284 N 0.79 1.18 -0.72 0.00 2.04 -1.31 -0.66 117.51 118.83 3h1a h ILE 284 Ca 0.11 -0.51 0.06 0.00 1.00 0.00 0.00 64.86 65.52 3h1a h ILE 284 Cb 0.77 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 3h1a h ILE 284 CO 0.06 0.20 0.41 0.58 0.00 0.00 0.00 178.15 179.40 3h1a h VAL 285 N 0.56 0.97 -0.31 1.67 2.07 -0.94 -2.16 116.25 118.10 3h1a h VAL 285 Ca 0.15 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 3h1a h VAL 285 Cb 0.12 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3h1a h VAL 285 CO -0.02 0.14 -0.21 -0.09 0.02 0.00 0.00 177.57 177.41 3h1a h ARG 286 N 0.75 0.58 0.18 1.57 9.65 -1.00 0.84 114.38 126.95 3h1a h ARG 286 Ca 0.33 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 3h1a h ARG 286 Cb 0.21 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 3h1a h ARG 286 CO -0.19 0.76 -0.10 0.28 2.80 0.00 0.00 179.97 183.52 3h1a h VAL 287 N 0.52 0.79 -0.69 0.20 2.07 -0.61 -1.51 116.25 117.02 3h1a h VAL 287 Ca 0.08 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.74 3h1a h VAL 287 Cb 0.65 0.79 -0.10 0.00 -1.52 0.00 0.00 31.29 31.11 3h1a h VAL 287 CO 0.05 0.00 0.13 1.23 0.02 0.00 0.00 177.57 179.00 3h1a h GLY 288 N -0.27 0.90 0.91 2.17 0.00 -0.97 -1.23 103.07 104.58 3h1a h GLY 288 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3h1a h GLY 288 CO 0.03 -0.18 0.09 0.83 0.00 0.00 0.00 176.54 177.31 3h1a h GLU 289 N 0.24 0.31 -0.36 4.80 5.08 -0.41 -2.16 114.58 122.08 3h1a h GLU 289 Ca 0.38 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.70 3h1a h GLU 289 Cb 0.62 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3h1a h GLU 289 CO -0.49 0.35 0.22 0.35 -1.00 0.00 0.00 179.01 178.43 3h1a h PHE 290 N 0.20 0.42 -0.68 4.33 3.04 -0.95 0.33 116.94 123.64 3h1a h PHE 290 Ca 0.07 0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.12 3h1a h PHE 290 Cb 0.14 -0.14 -0.07 0.00 2.56 0.00 0.00 35.95 38.45 3h1a h PHE 290 CO -0.02 0.25 0.33 0.52 -2.02 0.00 0.00 178.31 177.38 3h1a h MET 291 N 0.45 0.56 -0.29 1.11 2.86 -1.08 -0.37 114.93 118.17 3h1a h MET 291 Ca 0.14 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 3h1a h MET 291 Cb -0.02 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 3h1a h MET 291 CO -0.05 0.37 -0.15 0.00 1.06 0.00 0.00 176.91 178.13 3h1a h ARG 292 N 0.57 0.61 -0.37 1.72 3.08 -0.84 -0.17 114.38 118.97 3h1a h ARG 292 Ca 0.33 -0.27 0.07 0.00 0.07 0.00 0.00 59.98 60.18 3h1a h ARG 292 Cb 0.35 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 3h1a h ARG 292 CO -0.26 0.85 0.00 0.93 -1.07 0.00 0.00 179.97 180.42 3h1a h GLU 293 N 0.35 0.10 -0.78 0.04 5.08 -0.08 0.72 114.58 120.01 3h1a h GLU 293 Ca 0.06 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3h1a h GLU 293 Cb 0.68 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3h1a h GLU 293 CO 0.04 0.07 0.29 1.96 -1.00 0.00 0.00 179.01 180.38 3h1a h GLN 294 N 0.11 1.19 -0.44 2.33 1.08 -0.94 -0.34 115.11 118.09 3h1a h GLN 294 Ca 0.18 -0.23 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 3h1a h GLN 294 Cb 0.25 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 3h1a h GLN 294 CO -0.30 0.97 -0.00 -1.49 -0.95 0.00 0.00 178.83 177.06 3h1a h TRP 295 N 1.15 0.77 -0.15 2.96 6.55 -0.77 -3.15 115.95 123.31 3h1a h TRP 295 Ca 0.26 -0.10 -0.13 0.00 0.95 0.00 0.00 58.89 59.87 3h1a h TRP 295 Cb 0.25 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.32 3h1a h TRP 295 CO 0.02 0.72 -0.46 0.00 -1.05 0.00 0.00 178.44 177.68 3h1a h ALA 296 N 1.31 0.94 0.00 1.49 0.00 0.31 -3.51 119.26 119.80 3h1a h ALA 296 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3h1a h ALA 296 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3h1a h ALA 296 CO 0.02 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.91