#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a27 h ARG 2 N 0.00 -0.34 -6.29 0.00 2.47 -1.85 -3.31 114.38 105.06 1a27 h ARG 2 Ca 0.00 0.02 -0.57 0.00 -1.26 0.00 0.00 59.98 58.18 1a27 h ARG 2 Cb 0.00 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 1a27 h ARG 2 CO 0.00 -0.23 1.15 0.99 0.56 0.00 0.00 179.97 182.45 1a27 s THR 3 N -4.55 3.66 -0.30 2.04 2.01 0.35 -4.79 115.64 114.06 1a27 s THR 3 Ca -0.09 0.73 -0.25 0.00 0.31 0.00 0.00 61.69 62.39 1a27 s THR 3 Cb 0.04 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1a27 s THR 3 CO 0.35 -0.32 0.85 -0.69 -0.69 0.00 0.00 174.62 174.12 1a27 s VAL 4 N 5.46 4.74 -0.14 3.82 1.01 -1.26 -0.52 120.40 133.51 1a27 s VAL 4 Ca 0.73 1.36 -0.00 0.00 0.00 0.00 0.00 61.98 64.06 1a27 s VAL 4 Cb -0.24 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1a27 s VAL 4 CO 0.30 -0.27 -0.13 -0.69 0.00 0.00 0.00 175.10 174.31 1a27 s VAL 5 N 3.08 2.95 -0.18 2.92 1.01 -0.20 -0.64 120.40 129.35 1a27 s VAL 5 Ca 0.35 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1a27 s VAL 5 Cb -0.14 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.01 1a27 s VAL 5 CO 0.12 0.52 -0.19 -0.22 0.00 0.00 0.00 175.10 175.33 1a27 s LEU 6 N 0.54 2.20 -0.07 3.92 0.20 -0.28 -0.29 118.68 124.90 1a27 s LEU 6 Ca -0.09 -0.61 0.05 0.00 0.69 0.00 0.00 54.13 54.17 1a27 s LEU 6 Cb -0.16 -1.50 -0.01 0.00 -0.43 0.00 0.00 46.19 44.09 1a27 s LEU 6 CO 0.04 0.01 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.26 1a27 s ILE 7 N 1.21 2.25 0.10 6.68 1.01 -0.68 -1.14 121.20 130.63 1a27 s ILE 7 Ca 0.03 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 1a27 s ILE 7 Cb -0.14 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 1a27 s ILE 7 CO -0.10 0.57 0.35 0.42 0.00 0.00 0.00 174.94 176.17 1a27 s THR 8 N -0.09 5.19 -0.74 2.92 -4.23 -0.82 -0.98 115.64 116.90 1a27 s THR 8 Ca -0.05 0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 60.53 1a27 s THR 8 Cb -0.14 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1a27 s THR 8 CO 0.04 0.15 0.65 0.61 -0.54 0.00 0.00 174.62 175.54 1a27 n GLY 9 N 0.45 -0.66 1.26 3.99 0.00 -1.11 -3.32 105.19 105.80 1a27 n GLY 9 Ca -0.05 0.35 0.10 0.00 0.00 0.00 0.00 46.02 46.41 1a27 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a27 h SER 11 N 3.70 0.00 -2.51 0.00 4.64 -1.89 -3.32 113.55 114.16 1a27 h SER 11 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1a27 h SER 11 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1a27 h SER 11 CO 0.07 0.11 0.32 -1.54 -0.87 0.00 0.00 176.83 174.92 1a27 n SER 12 N -3.28 -1.77 0.00 4.97 3.41 -1.26 -4.48 113.62 111.21 1a27 n SER 12 Ca -0.00 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1a27 n SER 12 Cb 0.34 2.93 0.00 0.00 -0.26 0.00 0.00 64.21 67.22 1a27 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a27 n GLY 13 N -0.50 1.44 0.31 5.00 0.00 -1.26 -2.72 105.19 107.46 1a27 n GLY 13 Ca -0.06 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.54 1a27 n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a27 h ILE 14 N 0.00 0.16 -0.27 -0.61 1.08 -1.90 -1.75 117.51 114.23 1a27 h ILE 14 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1a27 h ILE 14 Cb 0.00 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 33.90 1a27 h ILE 14 CO 0.00 0.00 0.16 1.23 -0.69 0.00 0.00 178.15 178.85 1a27 h GLY 15 N -0.01 0.38 0.95 5.37 0.00 -1.68 0.30 103.07 108.38 1a27 h GLY 15 Ca 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1a27 h GLY 15 CO -0.85 0.15 -0.11 -2.00 0.00 0.00 0.00 176.54 173.73 1a27 h LEU 16 N 0.34 -0.28 -1.09 3.11 6.46 -1.15 -0.92 115.31 121.78 1a27 h LEU 16 Ca 0.10 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.79 1a27 h LEU 16 Cb 0.00 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 1a27 h LEU 16 CO -0.02 -0.18 -0.28 0.45 -0.62 0.00 0.00 178.44 177.79 1a27 h HIS 17 N -0.29 0.32 -0.20 1.25 3.86 -1.19 -2.91 115.15 115.99 1a27 h HIS 17 Ca -0.02 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.07 1a27 h HIS 17 Cb 0.24 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 1a27 h HIS 17 CO -0.08 0.55 -0.11 1.25 0.86 0.00 0.00 177.93 180.40 1a27 h LEU 18 N 0.26 0.44 -0.45 2.43 5.85 -0.75 -0.21 115.31 122.88 1a27 h LEU 18 Ca 0.04 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.39 1a27 h LEU 18 Cb 0.64 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1a27 h LEU 18 CO 0.05 0.76 0.17 0.00 -0.34 0.00 0.00 178.44 179.08 1a27 h ALA 19 N 0.69 0.54 0.00 1.25 0.00 -1.02 -1.14 119.26 119.58 1a27 h ALA 19 Ca 0.04 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1a27 h ALA 19 Cb 0.60 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1a27 h ALA 19 CO 0.03 -0.21 -0.71 -0.39 0.00 0.00 0.00 179.25 177.97 1a27 h VAL 20 N 0.35 1.49 -0.42 0.00 -1.51 -1.47 -0.28 116.25 114.41 1a27 h VAL 20 Ca 0.21 -2.45 -0.09 0.00 -1.23 0.00 0.00 66.70 63.14 1a27 h VAL 20 Cb 0.19 2.33 -0.02 0.00 -2.13 0.00 0.00 31.29 31.66 1a27 h VAL 20 CO -0.20 0.69 -0.11 -0.09 -1.23 0.00 0.00 177.57 176.63 1a27 h ARG 21 N 0.00 0.74 0.00 5.19 9.65 -0.59 -0.81 114.38 128.56 1a27 h ARG 21 Ca -0.01 -0.24 -0.12 0.00 -1.10 0.00 0.00 59.98 58.51 1a27 h ARG 21 Cb 1.27 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 29.80 1a27 h ARG 21 CO 0.09 0.83 -0.46 -0.07 2.80 0.00 0.00 179.97 183.16 1a27 h LEU 22 N 0.67 0.40 -1.36 3.80 3.38 -0.99 -3.10 115.31 118.12 1a27 h LEU 22 Ca 0.12 -0.77 -0.05 0.00 0.09 0.00 0.00 57.88 57.27 1a27 h LEU 22 Cb 0.58 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1a27 h LEU 22 CO 0.04 1.12 -0.22 0.00 0.09 0.00 0.00 178.44 179.47 1a27 h ALA 23 N 0.29 1.11 -0.56 1.53 0.00 -1.03 -2.60 119.26 118.00 1a27 h ALA 23 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1a27 h ALA 23 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1a27 h ALA 23 CO 0.09 0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 1a27 n SER 24 N -3.51 4.16 -4.72 0.00 3.41 -0.31 -4.49 113.62 108.15 1a27 n SER 24 Ca -0.01 -2.38 -0.42 0.00 -0.26 0.00 0.00 58.87 55.80 1a27 n SER 24 Cb 0.38 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 1a27 n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a27 s ASP 25 N -0.83 6.62 0.18 4.04 2.15 -0.98 -4.92 116.67 122.93 1a27 s ASP 25 Ca 0.44 2.60 -0.17 0.00 0.43 0.00 0.00 52.55 55.85 1a27 s ASP 25 Cb 0.28 -2.60 0.15 0.00 -0.30 0.00 0.00 42.92 40.46 1a27 s ASP 25 CO 0.21 -0.79 1.31 -2.65 -0.17 0.00 0.00 175.17 173.09 1a27 n PRO 26 N 3.65 -0.23 0.05 4.34 -0.02 -1.26 0.45 135.00 141.97 1a27 n PRO 26 Ca 0.12 1.30 0.04 0.00 -2.02 0.00 0.00 63.50 62.94 1a27 n PRO 26 Cb 0.39 -1.92 0.22 0.00 -0.02 0.00 0.00 33.50 32.17 1a27 n PRO 26 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1a27 n SER 27 N -5.21 0.18 -3.83 2.55 3.41 -1.26 -4.86 113.62 104.60 1a27 n SER 27 Ca 0.07 0.58 -0.29 0.00 -0.26 0.00 0.00 58.87 58.97 1a27 n SER 27 Cb 0.32 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 1a27 n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a27 n GLN 28 N -1.74 -2.38 0.00 4.33 10.64 0.17 -4.82 117.38 123.59 1a27 n GLN 28 Ca 0.00 0.27 0.13 0.00 -1.83 0.00 0.00 57.00 55.57 1a27 n GLN 28 Cb 0.05 -4.91 0.32 0.00 -0.86 0.00 0.00 30.24 24.84 1a27 n GLN 28 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1a27 n SER 29 N -2.31 2.14 -4.57 2.61 3.41 -1.26 -4.67 113.62 108.97 1a27 n SER 29 Ca 0.06 -1.69 -0.34 0.00 -0.26 0.00 0.00 58.87 56.64 1a27 n SER 29 Cb 0.49 0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 1a27 n SER 29 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1a27 s PHE 30 N -2.03 2.98 -0.31 7.33 0.08 -1.26 -0.49 117.98 124.28 1a27 s PHE 30 Ca 0.33 -0.06 -0.04 0.00 0.12 0.00 0.00 56.93 57.28 1a27 s PHE 30 Cb 0.20 -1.79 0.04 0.00 -0.57 0.00 0.00 43.02 40.91 1a27 s PHE 30 CO 0.33 0.24 0.04 0.21 -0.10 0.00 0.00 175.22 175.95 1a27 s LYS 31 N -0.49 2.63 -0.22 0.44 2.47 0.32 -4.13 119.74 120.75 1a27 s LYS 31 Ca 0.08 -1.15 -0.08 0.00 -1.56 0.00 0.00 55.97 53.26 1a27 s LYS 31 Cb -0.12 -3.29 -0.04 0.00 -1.46 0.00 0.00 37.83 32.92 1a27 s LYS 31 CO 0.02 -0.59 0.08 0.08 0.16 0.00 0.00 175.35 175.10 1a27 s VAL 32 N 1.35 4.68 -0.52 4.02 1.01 0.16 -1.03 120.40 130.07 1a27 s VAL 32 Ca -0.02 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1a27 s VAL 32 Cb -0.19 -3.15 0.12 0.00 0.00 0.00 0.00 36.38 33.16 1a27 s VAL 32 CO 0.01 0.39 0.47 -0.31 0.00 0.00 0.00 175.10 175.66 1a27 s TYR 33 N 0.97 3.26 -0.42 5.22 2.02 0.60 -0.46 117.35 128.55 1a27 s TYR 33 Ca 0.04 -1.28 -0.22 0.00 -0.37 0.00 0.00 57.07 55.25 1a27 s TYR 33 Cb -0.14 -3.67 0.02 0.00 -0.40 0.00 0.00 41.96 37.77 1a27 s TYR 33 CO 0.03 -0.98 0.70 0.00 -1.57 0.00 0.00 175.55 173.72 1a27 s ALA 34 N 1.59 3.36 -0.01 3.71 0.00 0.61 -1.69 121.76 129.33 1a27 s ALA 34 Ca 0.03 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1a27 s ALA 34 Cb -0.29 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1a27 s ALA 34 CO 0.03 -1.70 0.17 0.95 0.00 0.00 0.00 175.76 175.21 1a27 s THR 35 N 2.96 5.36 0.04 0.00 -4.23 -0.16 -1.66 115.64 117.96 1a27 s THR 35 Ca 0.26 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.61 1a27 s THR 35 Cb -0.13 -3.50 -0.02 0.00 1.34 0.00 0.00 72.50 70.19 1a27 s THR 35 CO 0.19 0.34 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.78 1a27 s LEU 36 N -1.89 2.24 0.21 4.79 1.02 -0.60 -0.82 118.68 123.63 1a27 s LEU 36 Ca 0.26 -0.52 -0.08 0.00 0.02 0.00 0.00 54.13 53.81 1a27 s LEU 36 Cb -0.13 -0.12 0.16 0.00 0.02 0.00 0.00 46.19 46.12 1a27 s LEU 36 CO 0.18 -0.21 1.80 -0.09 0.02 0.00 0.00 176.35 178.05 1a27 h ARG 37 N 4.59 1.15 -3.87 1.70 2.43 -1.88 0.86 114.38 119.36 1a27 h ARG 37 Ca -0.35 -0.17 -0.55 0.00 -0.81 0.00 0.00 59.98 58.10 1a27 h ARG 37 Cb 1.20 -0.20 -0.39 0.00 -0.42 0.00 0.00 29.97 30.16 1a27 h ARG 37 CO 0.41 0.90 -0.77 0.34 -1.51 0.00 0.00 179.97 179.33 1a27 s ASP 38 N -6.24 3.18 0.43 -3.80 2.15 -1.26 -4.50 116.67 106.63 1a27 s ASP 38 Ca -0.13 -0.91 0.20 0.00 0.43 0.00 0.00 52.55 52.14 1a27 s ASP 38 Cb 0.15 -0.81 1.14 0.00 -0.30 0.00 0.00 42.92 43.10 1a27 s ASP 38 CO 0.82 -0.27 1.84 -0.07 -0.17 0.00 0.00 175.17 177.32 1a27 h LEU 39 N 8.14 0.37 -0.22 -1.34 3.38 -1.90 -1.61 115.31 122.12 1a27 h LEU 39 Ca -0.17 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1a27 h LEU 39 Cb 1.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1a27 h LEU 39 CO 0.36 0.13 0.00 2.29 0.09 0.00 0.00 178.44 181.31 1a27 n LYS 40 N -4.50 0.03 -0.33 1.13 2.85 -1.26 -1.28 118.16 114.79 1a27 n LYS 40 Ca 0.21 0.47 0.09 0.00 -1.05 0.00 0.00 58.31 58.03 1a27 n LYS 40 Cb 0.77 -1.58 0.27 0.00 -0.65 0.00 0.00 35.03 33.84 1a27 n LYS 40 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1a27 n THR 41 N -1.63 0.89 1.17 0.58 -2.24 -0.61 -4.47 114.28 107.97 1a27 n THR 41 Ca 0.01 -0.82 0.10 0.00 -2.27 0.00 0.00 64.05 61.06 1a27 n THR 41 Cb 0.05 0.35 0.56 0.00 -2.10 0.00 0.00 70.33 69.18 1a27 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a27 n GLN 42 N 1.19 0.57 -0.13 -0.78 10.64 -0.41 -4.00 117.38 124.46 1a27 n GLN 42 Ca 0.20 0.01 -0.04 0.00 -1.83 0.00 0.00 57.00 55.34 1a27 n GLN 42 Cb 0.54 -1.50 0.04 0.00 -0.86 0.00 0.00 30.24 28.46 1a27 n GLN 42 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1a27 h GLY 43 N 2.99 0.47 1.68 2.61 0.00 -1.85 -2.42 103.07 106.55 1a27 h GLY 43 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 1a27 h GLY 43 CO 0.00 -0.08 -0.27 3.21 0.00 0.00 0.00 176.54 179.40 1a27 h ARG 44 N 0.16 0.38 0.43 4.80 3.08 -1.85 -0.89 114.38 120.48 1a27 h ARG 44 Ca 0.21 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1a27 h ARG 44 Cb 0.29 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1a27 h ARG 44 CO -0.31 0.62 -0.20 1.25 -1.07 0.00 0.00 179.97 180.26 1a27 h LEU 45 N 0.33 -0.48 -0.63 3.04 6.46 -1.70 -1.65 115.31 120.68 1a27 h LEU 45 Ca 0.05 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1a27 h LEU 45 Cb 0.66 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.69 1a27 h LEU 45 CO 0.05 -0.32 0.28 -0.50 -0.62 0.00 0.00 178.44 177.33 1a27 h TRP 46 N -0.60 0.92 -0.47 1.25 4.06 -1.20 0.22 115.95 120.13 1a27 h TRP 46 Ca -0.06 -0.05 0.09 0.00 2.06 0.00 0.00 58.89 60.93 1a27 h TRP 46 Cb 0.46 -0.28 -0.08 0.00 -1.00 0.00 0.00 29.16 28.26 1a27 h TRP 46 CO -0.04 0.71 0.00 1.49 -3.56 0.00 0.00 178.44 177.04 1a27 h GLU 47 N 0.87 0.11 -0.63 0.49 4.81 -1.00 0.44 114.58 119.67 1a27 h GLU 47 Ca 0.21 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1a27 h GLU 47 Cb 0.15 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1a27 h GLU 47 CO -0.02 0.07 0.02 0.00 -0.73 0.00 0.00 179.01 178.35 1a27 h ALA 48 N 1.41 0.84 -0.90 2.92 0.00 -0.95 -1.43 119.26 121.15 1a27 h ALA 48 Ca 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1a27 h ALA 48 Cb 0.34 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1a27 h ALA 48 CO -0.39 0.67 0.51 0.00 0.00 0.00 0.00 179.25 180.05 1a27 h ALA 49 N 1.00 1.19 0.00 0.00 0.00 0.18 -1.70 119.26 119.93 1a27 h ALA 49 Ca 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1a27 h ALA 49 Cb 0.54 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1a27 h ALA 49 CO 0.03 0.66 -0.21 0.00 0.00 0.00 0.00 179.25 179.73 1a27 h ARG 50 N 1.26 0.00 0.00 0.00 3.08 0.01 -1.71 114.38 117.02 1a27 h ARG 50 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1a27 h ARG 50 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1a27 h ARG 50 CO -0.05 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 179.05 1a27 h ALA 51 N 1.79 1.00 -0.01 0.04 0.00 -0.35 -3.13 119.26 118.60 1a27 h ALA 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a27 h ALA 51 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1a27 h ALA 51 CO 0.03 0.00 -0.23 1.28 0.00 0.00 0.00 179.25 180.33 1a27 n LEU 52 N -2.32 1.43 -2.72 0.00 4.32 -0.92 -5.04 117.00 111.74 1a27 n LEU 52 Ca 0.04 -0.79 -0.11 0.00 -0.02 0.00 0.00 56.01 55.14 1a27 n LEU 52 Cb 0.35 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.20 1a27 n LEU 52 CO 0.26 0.28 0.02 0.00 -1.22 0.00 0.00 177.39 176.74 1a27 n ALA 53 N -0.12 -1.87 -2.65 -1.18 0.00 -0.69 -4.85 120.51 109.15 1a27 n ALA 53 Ca 0.05 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 1a27 n ALA 53 Cb 0.26 -4.11 -0.05 0.00 0.00 0.00 0.00 19.45 15.55 1a27 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a27 n PRO 55 N 5.61 1.93 -1.58 0.00 -0.04 -1.26 -4.86 135.00 134.79 1a27 n PRO 55 Ca 0.03 0.68 -0.46 0.00 -0.04 0.00 0.00 63.50 63.71 1a27 n PRO 55 Cb 0.48 -2.26 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 1a27 n PRO 55 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1a27 n PRO 56 N 1.29 1.26 0.00 0.54 -0.02 -1.26 -0.75 135.00 136.06 1a27 n PRO 56 Ca 0.09 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1a27 n PRO 56 Cb 0.33 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1a27 n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a27 n GLY 57 N 1.59 2.62 0.25 -1.23 0.00 -1.26 -4.86 105.19 102.30 1a27 n GLY 57 Ca 0.12 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.29 1a27 n GLY 57 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a27 h SER 58 N 0.00 0.00 -3.41 1.61 4.64 -1.24 -3.42 113.55 111.73 1a27 h SER 58 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1a27 h SER 58 Cb 0.00 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 61.73 1a27 h SER 58 CO 0.00 0.00 -0.74 -0.22 -0.87 0.00 0.00 176.83 175.00 1a27 s LEU 59 N -6.12 0.65 -0.01 5.97 2.96 -1.26 0.36 118.68 121.23 1a27 s LEU 59 Ca 0.04 0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 1a27 s LEU 59 Cb 0.07 -0.15 -0.01 0.00 0.50 0.00 0.00 46.19 46.60 1a27 s LEU 59 CO 0.60 -0.18 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.60 1a27 s GLU 60 N 1.61 1.19 -0.02 1.98 2.12 0.39 -4.98 118.70 120.98 1a27 s GLU 60 Ca -0.02 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.78 1a27 s GLU 60 Cb -0.13 -1.15 -0.04 0.00 0.26 0.00 0.00 34.13 33.08 1a27 s GLU 60 CO -0.03 0.31 0.03 0.95 -0.54 0.00 0.00 175.26 175.99 1a27 s THR 61 N -0.35 4.41 0.16 -1.70 -4.23 -1.26 -0.28 115.64 112.38 1a27 s THR 61 Ca 0.06 -0.47 0.04 0.00 -1.18 0.00 0.00 61.69 60.14 1a27 s THR 61 Cb -0.06 -2.97 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 1a27 s THR 61 CO -0.01 0.40 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.63 1a27 s LEU 62 N -1.51 2.49 -0.07 4.79 1.43 -0.66 -4.94 118.68 120.21 1a27 s LEU 62 Ca 0.20 -1.04 -0.23 0.00 -1.03 0.00 0.00 54.13 52.03 1a27 s LEU 62 Cb -0.12 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.73 1a27 s LEU 62 CO 0.10 -0.35 0.69 -1.58 0.23 0.00 0.00 176.35 175.44 1a27 s GLN 63 N -3.76 4.43 -0.24 1.70 0.74 -1.26 -1.56 119.66 119.71 1a27 s GLN 63 Ca 0.18 0.86 -0.03 0.00 0.05 0.00 0.00 55.36 56.42 1a27 s GLN 63 Cb 0.03 -3.44 0.13 0.00 1.10 0.00 0.00 33.01 30.83 1a27 s GLN 63 CO 0.01 0.08 0.40 -1.17 -0.55 0.00 0.00 175.29 174.06 1a27 s LEU 64 N 0.76 -0.70 -0.40 3.68 0.20 0.30 -4.62 118.68 117.89 1a27 s LEU 64 Ca 0.37 0.35 -0.13 0.00 0.69 0.00 0.00 54.13 55.41 1a27 s LEU 64 Cb -0.18 1.23 0.03 0.00 -0.43 0.00 0.00 46.19 46.84 1a27 s LEU 64 CO 0.18 -0.29 0.26 -0.62 -0.29 0.00 0.00 176.35 175.58 1a27 s ASP 65 N 2.58 5.90 0.29 3.68 -1.08 -1.26 -3.28 116.67 123.50 1a27 s ASP 65 Ca 0.12 -1.00 0.19 0.00 -0.52 0.00 0.00 52.55 51.34 1a27 s ASP 65 Cb -0.15 -2.08 1.03 0.00 -1.46 0.00 0.00 42.92 40.26 1a27 s ASP 65 CO -0.16 -0.43 1.58 1.33 0.52 0.00 0.00 175.17 178.01 1a27 n VAL 66 N 5.07 1.14 0.86 1.11 0.24 -1.26 -2.01 118.33 123.48 1a27 n VAL 66 Ca -0.11 0.71 0.13 0.00 -2.04 0.00 0.00 64.34 63.03 1a27 n VAL 66 Cb 0.46 -1.71 0.47 0.00 -1.47 0.00 0.00 33.84 31.59 1a27 n VAL 66 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1a27 n ARG 67 N -2.17 0.10 -4.05 7.34 1.74 -1.26 -4.37 116.66 113.98 1a27 n ARG 67 Ca -0.01 0.07 -0.32 0.00 -0.77 0.00 0.00 57.85 56.82 1a27 n ARG 67 Cb 0.04 -1.60 -0.15 0.00 -1.02 0.00 0.00 32.46 29.73 1a27 n ARG 67 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1a27 s ASP 68 N -3.53 4.48 0.57 0.55 -1.08 -0.85 -5.01 116.67 111.80 1a27 s ASP 68 Ca 0.12 -1.53 0.30 0.00 -0.52 0.00 0.00 52.55 50.92 1a27 s ASP 68 Cb 0.16 -1.54 1.71 0.00 -1.46 0.00 0.00 42.92 41.79 1a27 s ASP 68 CO 0.59 -0.23 2.19 0.28 0.52 0.00 0.00 175.17 178.51 1a27 h SER 69 N 7.75 0.00 -0.21 -0.34 0.02 -1.84 -1.23 113.55 117.71 1a27 h SER 69 Ca -0.16 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.61 1a27 h SER 69 Cb 1.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 1a27 h SER 69 CO 0.47 0.05 -0.56 0.11 -1.14 0.00 0.00 176.83 175.76 1a27 h LYS 70 N 0.00 0.80 -0.38 3.45 1.57 -1.94 -0.45 116.57 119.62 1a27 h LYS 70 Ca -0.00 -0.52 -0.04 0.00 -1.87 0.00 0.00 60.65 58.22 1a27 h LYS 70 Cb 0.15 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1a27 h LYS 70 CO 0.01 1.14 0.06 1.03 -0.57 0.00 0.00 179.45 181.12 1a27 h SER 71 N 0.61 0.60 -0.18 0.86 0.87 -1.55 0.52 113.55 115.28 1a27 h SER 71 Ca 0.01 -0.26 0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1a27 h SER 71 Cb 1.16 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 1a27 h SER 71 CO 0.12 0.70 0.11 0.58 -0.53 0.00 0.00 176.83 177.81 1a27 h VAL 72 N 0.47 1.02 -0.32 2.23 2.07 -1.23 -0.41 116.25 120.08 1a27 h VAL 72 Ca 0.11 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1a27 h VAL 72 Cb 0.36 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1a27 h VAL 72 CO 0.01 0.04 0.06 0.00 0.02 0.00 0.00 177.57 177.69 1a27 h ALA 73 N 1.08 0.43 -0.63 1.67 0.00 -0.98 -1.67 119.26 119.15 1a27 h ALA 73 Ca 0.07 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1a27 h ALA 73 Cb -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.57 1a27 h ALA 73 CO -0.03 0.12 0.16 0.00 0.00 0.00 0.00 179.25 179.49 1a27 h ALA 74 N 0.89 0.77 -0.67 0.00 0.00 -0.78 -0.61 119.26 118.87 1a27 h ALA 74 Ca 0.10 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1a27 h ALA 74 Cb 0.34 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1a27 h ALA 74 CO 0.01 -0.29 0.40 0.00 0.00 0.00 0.00 179.25 179.36 1a27 h ALA 75 N 1.50 0.86 -0.80 0.00 0.00 -0.86 -2.06 119.26 117.90 1a27 h ALA 75 Ca 0.33 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1a27 h ALA 75 Cb 0.50 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1a27 h ALA 75 CO -0.41 0.34 0.48 -0.09 0.00 0.00 0.00 179.25 179.57 1a27 h ARG 76 N 0.92 0.85 0.00 0.00 2.43 -0.20 -2.17 114.38 116.20 1a27 h ARG 76 Ca 0.24 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1a27 h ARG 76 Cb -0.02 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1a27 h ARG 76 CO -0.04 0.56 -0.04 1.49 -1.51 0.00 0.00 179.97 180.42 1a27 h GLU 77 N 0.87 0.00 -0.00 0.20 4.57 -0.45 -2.17 114.58 117.59 1a27 h GLU 77 Ca 0.36 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1a27 h GLU 77 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1a27 h GLU 77 CO -0.18 0.04 -0.07 0.54 -1.18 0.00 0.00 179.01 178.16 1a27 n ARG 78 N -3.67 0.55 -2.20 1.92 5.12 -0.82 -4.66 116.66 112.90 1a27 n ARG 78 Ca -0.02 -0.12 -0.40 0.00 -1.93 0.00 0.00 57.85 55.37 1a27 n ARG 78 Cb 0.14 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.92 1a27 n ARG 78 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1a27 s VAL 79 N -2.53 3.56 0.41 1.55 1.01 -0.82 -4.85 120.40 118.73 1a27 s VAL 79 Ca 0.28 0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.79 1a27 s VAL 79 Cb 0.20 -4.16 0.23 0.00 0.00 0.00 0.00 36.38 32.65 1a27 s VAL 79 CO 0.47 -1.00 2.02 0.71 0.00 0.00 0.00 175.10 177.30 1a27 h THR 80 N 6.62 1.12 0.00 3.92 1.35 -1.89 -2.30 112.91 121.72 1a27 h THR 80 Ca -0.28 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1a27 h THR 80 Cb 1.13 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1a27 h THR 80 CO 1.18 0.14 0.00 -0.33 -0.25 0.00 0.00 175.52 176.26 1a27 h GLU 81 N 0.37 0.00 -0.17 4.72 3.07 -1.97 -3.45 114.58 117.15 1a27 h GLU 81 Ca 0.09 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.88 1a27 h GLU 81 Cb 0.10 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 1a27 h GLU 81 CO -0.01 0.00 -0.07 0.41 -1.40 0.00 0.00 179.01 177.94 1a27 n GLY 82 N -0.70 0.59 3.26 -3.84 0.00 -0.87 -4.99 105.19 98.64 1a27 n GLY 82 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1a27 n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a27 s ARG 83 N -1.63 0.86 -0.13 1.61 1.70 -1.26 -5.13 118.95 114.96 1a27 s ARG 83 Ca 0.00 -0.56 0.00 0.00 -0.47 0.00 0.00 55.73 54.70 1a27 s ARG 83 Cb 0.00 0.37 0.02 0.00 -0.57 0.00 0.00 34.95 34.77 1a27 s ARG 83 CO 0.00 -0.29 -0.11 0.08 -1.08 0.00 0.00 175.30 173.90 1a27 s VAL 84 N -2.85 1.32 -0.05 4.99 1.01 -1.26 -4.83 120.40 118.73 1a27 s VAL 84 Ca -0.03 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.55 1a27 s VAL 84 Cb 0.00 -1.27 -0.24 0.00 0.00 0.00 0.00 36.38 34.87 1a27 s VAL 84 CO -0.05 0.42 0.65 0.44 0.00 0.00 0.00 175.10 176.56 1a27 h ASP 85 N 8.04 0.09 -3.26 3.32 3.32 -1.24 -3.46 116.42 123.25 1a27 h ASP 85 Ca -0.34 -0.20 -0.49 0.00 0.02 0.00 0.00 57.03 56.03 1a27 h ASP 85 Cb 1.14 -0.03 -0.39 0.00 0.22 0.00 0.00 39.33 40.27 1a27 h ASP 85 CO 0.47 1.17 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.71 1a27 s VAL 86 N -2.60 0.54 -0.23 -1.35 1.01 -0.45 -1.04 120.40 116.29 1a27 s VAL 86 Ca -0.08 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 1a27 s VAL 86 Cb 0.08 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1a27 s VAL 86 CO 0.82 0.06 0.03 -0.22 0.00 0.00 0.00 175.10 175.79 1a27 s LEU 87 N 1.88 3.33 -0.32 3.92 2.96 0.42 -1.12 118.68 129.75 1a27 s LEU 87 Ca 0.02 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1a27 s LEU 87 Cb -0.15 -1.87 0.04 0.00 0.50 0.00 0.00 46.19 44.72 1a27 s LEU 87 CO -0.07 0.01 0.05 -0.69 -1.32 0.00 0.00 176.35 174.33 1a27 s VAL 88 N 1.35 3.39 -0.58 1.68 1.01 -0.29 -0.27 120.40 126.69 1a27 s VAL 88 Ca 0.05 -1.23 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 1a27 s VAL 88 Cb -0.15 -2.92 0.08 0.00 0.00 0.00 0.00 36.38 33.39 1a27 s VAL 88 CO 0.02 -0.13 0.74 0.00 0.00 0.00 0.00 175.10 175.73 1a27 n ASN 90 N 6.59 4.87 -4.67 0.00 5.15 -1.26 -0.98 115.26 124.96 1a27 n ASN 90 Ca -0.07 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.49 1a27 n ASN 90 Cb 0.44 0.80 0.01 0.00 -0.53 0.00 0.00 39.78 40.49 1a27 n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a27 n ALA 91 N -1.74 0.96 -3.58 5.20 0.00 -1.21 -4.85 120.51 115.28 1a27 n ALA 91 Ca -0.00 0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.63 1a27 n ALA 91 Cb 0.24 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.44 1a27 n ALA 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1a27 s GLY 92 N -0.54 -0.25 0.12 0.00 0.00 -1.26 -4.77 107.32 100.61 1a27 s GLY 92 Ca 0.60 1.93 0.07 0.00 0.00 0.00 0.00 44.72 47.33 1a27 s GLY 92 CO 0.59 0.88 -0.17 1.08 0.00 0.00 0.00 173.10 175.47 1a27 s LEU 93 N -1.43 2.37 0.39 0.66 1.43 -1.26 -5.06 118.68 115.78 1a27 s LEU 93 Ca 0.02 -0.76 0.08 0.00 -1.03 0.00 0.00 54.13 52.43 1a27 s LEU 93 Cb -0.01 -0.71 -0.02 0.00 0.03 0.00 0.00 46.19 45.49 1a27 s LEU 93 CO -0.02 -0.05 0.39 -0.83 0.23 0.00 0.00 176.35 176.07 1a27 s GLY 94 N -2.26 1.97 -0.30 -3.19 0.00 -1.26 -4.97 107.32 97.31 1a27 s GLY 94 Ca 0.08 -1.76 -0.09 0.00 0.00 0.00 0.00 44.72 42.96 1a27 s GLY 94 CO 0.04 -1.61 0.65 -2.27 0.00 0.00 0.00 173.10 169.91 1a27 s LEU 95 N -4.12 -1.17 0.06 0.66 2.96 -1.26 -4.93 118.68 110.86 1a27 s LEU 95 Ca 0.47 1.51 0.06 0.00 -0.22 0.00 0.00 54.13 55.95 1a27 s LEU 95 Cb -0.05 2.30 -0.03 0.00 0.50 0.00 0.00 46.19 48.91 1a27 s LEU 95 CO 0.28 -0.22 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.69 1a27 s LEU 96 N 2.90 2.20 0.00 -0.68 2.96 -1.23 -4.36 118.68 120.47 1a27 s LEU 96 Ca -0.03 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 1a27 s LEU 96 Cb -0.12 -0.78 0.00 0.00 0.50 0.00 0.00 46.19 45.78 1a27 s LEU 96 CO -0.19 0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.52 1a27 n GLY 97 N 1.67 2.42 3.64 7.98 0.00 -0.70 -4.94 105.19 115.26 1a27 n GLY 97 Ca -0.18 -1.92 -0.45 0.00 0.00 0.00 0.00 46.02 43.47 1a27 n GLY 97 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a27 n PRO 98 N -1.70 1.71 -0.22 1.61 -0.02 -1.26 -4.62 135.00 130.50 1a27 n PRO 98 Ca 0.00 0.61 0.02 0.00 -2.02 0.00 0.00 63.50 62.11 1a27 n PRO 98 Cb 0.00 -2.15 0.13 0.00 -0.02 0.00 0.00 33.50 31.47 1a27 n PRO 98 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1a27 h LEU 99 N 3.16 0.13 -0.60 2.45 5.85 -1.98 -1.26 115.31 123.06 1a27 h LEU 99 Ca -0.43 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1a27 h LEU 99 Cb 1.31 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.45 1a27 h LEU 99 CO 0.68 0.06 0.00 -1.84 -0.34 0.00 0.00 178.44 177.00 1a27 n GLU 100 N -5.07 0.12 0.00 1.25 0.00 -1.26 -2.17 120.64 113.51 1a27 n GLU 100 Ca 0.11 0.42 0.12 0.00 0.00 0.00 0.00 57.16 57.81 1a27 n GLU 100 Cb 0.34 -1.77 0.25 0.00 0.00 0.00 0.00 31.44 30.27 1a27 n GLU 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a27 n ALA 101 N -1.69 3.34 -2.69 -1.84 0.00 -0.48 -4.89 120.51 112.25 1a27 n ALA 101 Ca 0.02 -0.46 -0.41 0.00 0.00 0.00 0.00 53.44 52.59 1a27 n ALA 101 Cb 0.16 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 1a27 n ALA 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a27 s LEU 102 N -2.59 4.36 0.60 0.00 1.43 -0.92 -5.00 118.68 116.56 1a27 s LEU 102 Ca 0.20 1.49 -0.08 0.00 -1.03 0.00 0.00 54.13 54.71 1a27 s LEU 102 Cb 0.19 -3.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.01 1a27 s LEU 102 CO 0.57 -0.20 0.96 -0.83 0.23 0.00 0.00 176.35 177.08 1a27 s GLY 103 N 0.88 1.60 0.33 -3.19 0.00 -1.26 -4.92 107.32 100.76 1a27 s GLY 103 Ca 0.46 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.77 1a27 s GLY 103 CO 0.24 -0.16 1.90 0.83 0.00 0.00 0.00 173.10 175.92 1a27 h GLU 104 N -0.25 0.66 -0.01 2.90 4.39 -2.00 -2.43 114.58 117.85 1a27 h GLU 104 Ca -0.45 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.14 1a27 h GLU 104 Cb 1.23 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1a27 h GLU 104 CO 0.62 0.59 0.00 -0.44 -1.16 0.00 0.00 179.01 178.62 1a27 h ASP 105 N 0.65 0.01 0.04 1.42 3.32 -1.98 -1.40 116.42 118.48 1a27 h ASP 105 Ca 0.15 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1a27 h ASP 105 Cb 0.21 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1a27 h ASP 105 CO -0.01 0.15 -0.04 0.00 -1.72 0.00 0.00 179.24 177.62 1a27 h ALA 106 N 0.86 -0.07 -0.17 3.45 0.00 -1.93 0.21 119.26 121.61 1a27 h ALA 106 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1a27 h ALA 106 Cb 0.14 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1a27 h ALA 106 CO -0.00 -0.55 0.02 0.28 0.00 0.00 0.00 179.25 179.00 1a27 h VAL 107 N -0.09 0.90 -0.67 0.00 2.07 -1.38 -1.64 116.25 115.45 1a27 h VAL 107 Ca 0.00 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1a27 h VAL 107 Cb 0.09 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1a27 h VAL 107 CO -0.01 0.01 0.44 0.00 0.02 0.00 0.00 177.57 178.03 1a27 h ALA 108 N 1.14 0.85 -0.09 1.67 0.00 -1.09 -2.40 119.26 119.34 1a27 h ALA 108 Ca 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1a27 h ALA 108 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1a27 h ALA 108 CO -0.12 0.28 -0.06 0.77 0.00 0.00 0.00 179.25 180.12 1a27 h SER 109 N 0.91 -0.18 -0.33 0.00 0.02 -0.02 0.27 113.55 114.22 1a27 h SER 109 Ca 0.24 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.30 1a27 h SER 109 Cb -0.10 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 1a27 h SER 109 CO -0.05 -0.08 -0.03 0.58 -1.14 0.00 0.00 176.83 176.11 1a27 h VAL 110 N -0.06 0.72 -0.55 2.27 2.07 -1.05 -0.32 116.25 119.33 1a27 h VAL 110 Ca 0.06 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 1a27 h VAL 110 Cb 0.14 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1a27 h VAL 110 CO -0.13 0.01 0.01 -0.07 0.02 0.00 0.00 177.57 177.41 1a27 h LEU 111 N 0.05 0.91 -0.65 2.57 3.38 -1.27 -0.45 115.31 119.85 1a27 h LEU 111 Ca 0.16 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1a27 h LEU 111 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1a27 h LEU 111 CO -0.30 0.96 0.05 -0.78 0.09 0.00 0.00 178.44 178.46 1a27 h ASP 112 N 0.87 1.07 0.02 -0.43 3.58 -0.57 -0.30 116.42 120.66 1a27 h ASP 112 Ca 0.16 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 1a27 h ASP 112 Cb 0.50 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1a27 h ASP 112 CO 0.02 1.09 -0.01 0.58 -2.88 0.00 0.00 179.24 178.04 1a27 h VAL 113 N 1.02 0.98 -0.25 2.25 2.07 -0.97 0.17 116.25 121.52 1a27 h VAL 113 Ca 0.19 -1.66 -0.19 0.00 0.82 0.00 0.00 66.70 65.86 1a27 h VAL 113 Cb 0.51 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1a27 h VAL 113 CO 0.02 0.32 -0.59 0.78 0.02 0.00 0.00 177.57 178.12 1a27 h ASN 114 N -0.98 0.90 0.00 0.57 4.21 -1.15 -3.18 115.58 115.95 1a27 h ASN 114 Ca -0.00 -0.50 0.00 0.00 1.21 0.00 0.00 56.30 57.00 1a27 h ASN 114 Cb 0.55 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1a27 h ASN 114 CO 0.01 1.29 -0.60 0.52 -1.29 0.00 0.00 177.43 177.35 1a27 n VAL 115 N -3.98 0.93 0.19 2.81 0.31 -0.20 -4.23 118.33 114.15 1a27 n VAL 115 Ca -0.05 0.28 0.05 0.00 -0.01 0.00 0.00 64.34 64.61 1a27 n VAL 115 Cb 0.65 -2.03 0.48 0.00 -0.91 0.00 0.00 33.84 32.03 1a27 n VAL 115 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1a27 h VAL 116 N -0.62 1.13 -0.66 2.52 2.07 -1.30 -0.77 116.25 118.61 1a27 h VAL 116 Ca 0.00 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 1a27 h VAL 116 Cb 0.60 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1a27 h VAL 116 CO 0.00 0.17 0.18 1.23 0.02 0.00 0.00 177.57 179.17 1a27 h GLY 117 N 0.54 1.11 1.30 2.17 0.00 -0.64 0.32 103.07 107.88 1a27 h GLY 117 Ca 0.02 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.52 1a27 h GLY 117 CO 0.02 0.62 -0.43 -0.84 0.00 0.00 0.00 176.54 175.91 1a27 h THR 118 N 0.99 1.29 -0.53 4.70 2.02 -1.29 -1.59 112.91 118.50 1a27 h THR 118 Ca 0.21 -1.62 -0.01 0.00 0.77 0.00 0.00 66.41 65.77 1a27 h THR 118 Cb 0.33 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1a27 h THR 118 CO -0.00 0.52 0.31 0.58 0.37 0.00 0.00 175.52 177.30 1a27 h VAL 119 N 0.61 1.17 -0.30 3.16 2.07 -0.80 0.09 116.25 122.27 1a27 h VAL 119 Ca 0.04 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1a27 h VAL 119 Cb 0.99 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1a27 h VAL 119 CO 0.09 0.18 0.19 0.03 0.02 0.00 0.00 177.57 178.08 1a27 h ARG 120 N 0.71 0.37 -0.27 1.57 3.08 -0.16 0.55 114.38 120.23 1a27 h ARG 120 Ca 0.19 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.27 1a27 h ARG 120 Cb 0.01 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 1a27 h ARG 120 CO -0.03 0.25 -0.05 0.52 -1.07 0.00 0.00 179.97 179.58 1a27 h MET 121 N 0.38 0.02 -0.64 0.04 2.86 -0.82 -1.64 114.93 115.12 1a27 h MET 121 Ca 0.11 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1a27 h MET 121 Cb -0.03 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1a27 h MET 121 CO -0.04 0.01 0.13 -0.07 1.06 0.00 0.00 176.91 178.00 1a27 h LEU 122 N 0.02 0.97 -0.84 1.22 3.38 -0.70 -1.58 115.31 117.78 1a27 h LEU 122 Ca 0.13 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1a27 h LEU 122 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1a27 h LEU 122 CO -0.26 0.96 -0.08 1.56 0.09 0.00 0.00 178.44 180.70 1a27 h GLN 123 N 0.97 0.78 -0.09 1.13 4.20 -0.58 0.19 115.11 121.72 1a27 h GLN 123 Ca 0.20 -0.25 -0.18 0.00 0.06 0.00 0.00 58.65 58.48 1a27 h GLN 123 Cb 0.38 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1a27 h GLN 123 CO 0.01 0.84 -0.71 0.00 -0.67 0.00 0.00 178.83 178.30 1a27 h ALA 124 N 1.19 0.61 0.00 3.87 0.00 -0.94 -3.38 119.26 120.61 1a27 h ALA 124 Ca 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1a27 h ALA 124 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a27 h ALA 124 CO 0.03 0.75 -1.62 1.19 0.00 0.00 0.00 179.25 179.60 1a27 n PHE 125 N -3.85 0.00 -0.19 0.00 3.72 -0.63 -4.64 117.46 111.87 1a27 n PHE 125 Ca -0.04 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.26 1a27 n PHE 125 Cb 0.69 -0.32 0.01 0.00 -0.94 0.00 0.00 39.48 38.93 1a27 n PHE 125 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1a27 h LEU 126 N 0.00 0.97 -0.33 4.37 7.12 -1.13 -3.27 115.31 123.03 1a27 h LEU 126 Ca 0.00 -0.32 0.07 0.00 0.13 0.00 0.00 57.88 57.75 1a27 h LEU 126 Cb 0.64 -0.26 -0.08 0.00 -0.53 0.00 0.00 40.66 40.42 1a27 h LEU 126 CO 0.00 1.06 -0.39 -0.65 -0.13 0.00 0.00 178.44 178.34 1a27 h PRO 127 N 0.86 -0.33 -0.09 5.25 0.11 -1.79 -0.24 132.00 135.78 1a27 h PRO 127 Ca 0.15 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 1a27 h PRO 127 Cb 0.58 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1a27 h PRO 127 CO 0.03 -0.22 -0.02 0.22 -0.21 0.00 0.00 178.00 177.81 1a27 h ASP 128 N -0.34 0.11 0.35 -2.05 3.58 -1.86 0.21 116.42 116.42 1a27 h ASP 128 Ca 0.13 -0.01 -0.18 0.00 0.42 0.00 0.00 57.03 57.39 1a27 h ASP 128 Cb 0.57 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 1a27 h ASP 128 CO -0.51 0.15 -0.75 0.24 -2.88 0.00 0.00 179.24 175.49 1a27 h MET 129 N 0.12 0.33 -0.04 0.28 2.86 -1.29 -1.73 114.93 115.45 1a27 h MET 129 Ca 0.03 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1a27 h MET 129 Cb 0.12 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1a27 h MET 129 CO 0.00 0.93 -0.05 0.87 1.06 0.00 0.00 176.91 179.73 1a27 h LYS 130 N 0.22 0.11 -0.39 1.72 1.57 0.07 0.76 116.57 120.63 1a27 h LYS 130 Ca -0.03 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1a27 h LYS 130 Cb 1.32 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.55 1a27 h LYS 130 CO 0.12 0.58 -0.19 -0.09 -0.57 0.00 0.00 179.45 179.30 1a27 h ARG 131 N -0.36 -0.12 0.00 3.15 9.65 -0.66 0.77 114.38 126.82 1a27 h ARG 131 Ca 0.01 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1a27 h ARG 131 Cb 0.56 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 1a27 h ARG 131 CO 0.01 -0.08 0.00 0.00 2.80 0.00 0.00 179.97 182.70 1a27 h ARG 132 N -0.13 0.00 -0.37 0.20 3.08 -1.20 -3.46 114.38 112.50 1a27 h ARG 132 Ca 0.19 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 1a27 h ARG 132 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1a27 h ARG 132 CO -0.47 0.00 -0.09 0.41 -1.07 0.00 0.00 179.97 178.75 1a27 n GLY 133 N 0.11 0.48 3.55 0.04 0.00 0.26 -5.00 105.19 104.64 1a27 n GLY 133 Ca 0.02 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 1a27 n GLY 133 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a27 s SER 134 N -2.89 -0.38 0.00 1.61 1.04 -0.43 -4.47 113.70 108.19 1a27 s SER 134 Ca 0.00 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1a27 s SER 134 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1a27 s SER 134 CO 0.00 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1a27 n GLY 135 N 0.39 3.88 3.16 7.32 0.00 -1.24 -4.51 105.19 114.19 1a27 n GLY 135 Ca -0.10 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 1a27 n GLY 135 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a27 s ARG 136 N -2.62 2.25 -0.12 1.61 0.52 -0.20 -1.19 118.95 119.21 1a27 s ARG 136 Ca 0.00 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.54 1a27 s ARG 136 Cb 0.00 -1.84 0.01 0.00 0.52 0.00 0.00 34.95 33.64 1a27 s ARG 136 CO 0.00 0.21 -0.21 0.08 0.02 0.00 0.00 175.30 175.39 1a27 s VAL 137 N 0.22 1.93 -0.11 3.52 1.01 0.36 -0.44 120.40 126.90 1a27 s VAL 137 Ca -0.10 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1a27 s VAL 137 Cb -0.15 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.54 1a27 s VAL 137 CO 0.05 0.53 -0.18 -0.76 0.00 0.00 0.00 175.10 174.73 1a27 s LEU 138 N 0.71 1.87 -0.14 3.92 1.43 0.63 -1.20 118.68 125.90 1a27 s LEU 138 Ca -0.10 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1a27 s LEU 138 Cb -0.16 -1.19 -0.00 0.00 0.03 0.00 0.00 46.19 44.86 1a27 s LEU 138 CO 0.01 0.06 -0.17 -0.69 0.23 0.00 0.00 176.35 175.79 1a27 s VAL 139 N 0.77 2.56 -0.00 -1.59 1.01 -0.22 0.44 120.40 123.37 1a27 s VAL 139 Ca -0.10 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1a27 s VAL 139 Cb -0.16 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.10 1a27 s VAL 139 CO 0.01 0.53 1.68 -0.89 0.00 0.00 0.00 175.10 176.44 1a27 s THR 140 N 0.66 3.34 0.42 3.92 2.01 -0.16 -0.97 115.64 124.86 1a27 s THR 140 Ca -0.09 0.56 0.05 0.00 0.31 0.00 0.00 61.69 62.53 1a27 s THR 140 Cb -0.16 -3.36 0.05 0.00 0.01 0.00 0.00 72.50 69.04 1a27 s THR 140 CO 0.02 -0.03 0.43 0.61 -0.69 0.00 0.00 174.62 174.96 1a27 n GLY 141 N 4.12 2.47 3.22 4.40 0.00 0.15 -4.83 105.19 114.73 1a27 n GLY 141 Ca 0.17 -2.24 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 1a27 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a27 s SER 142 N -3.54 -0.18 0.51 1.61 0.15 -1.26 -2.77 113.70 108.23 1a27 s SER 142 Ca 0.32 0.10 0.25 0.00 0.70 0.00 0.00 55.95 57.32 1a27 s SER 142 Cb -0.03 0.33 1.37 0.00 -1.71 0.00 0.00 66.02 65.98 1a27 s SER 142 CO 0.21 -0.41 2.05 -0.37 1.20 0.00 0.00 173.24 175.92 1a27 h VAL 143 N 3.97 0.66 0.00 4.45 -1.51 -1.69 -1.13 116.25 121.01 1a27 h VAL 143 Ca -0.29 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1a27 h VAL 143 Cb 1.18 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 1a27 h VAL 143 CO 0.39 0.13 0.03 0.61 -1.23 0.00 0.00 177.57 177.50 1a27 n GLY 144 N -0.73 -0.51 0.17 5.19 0.00 -1.26 -0.47 105.19 107.57 1a27 n GLY 144 Ca -0.02 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1a27 n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a27 n GLY 145 N -1.45 -0.51 0.00 -0.02 0.00 -0.43 -4.33 105.19 98.45 1a27 n GLY 145 Ca -0.00 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.49 1a27 n GLY 145 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a27 n LEU 146 N -0.93 0.10 -3.69 0.99 4.77 0.38 -3.96 117.00 114.65 1a27 n LEU 146 Ca 0.05 -0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.75 1a27 n LEU 146 Cb 0.35 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 1a27 n LEU 146 CO 0.34 0.03 0.21 0.00 -1.33 0.00 0.00 177.39 176.64 1a27 s MET 147 N -2.27 0.61 0.38 3.23 0.23 -0.51 -5.04 119.30 115.93 1a27 s MET 147 Ca -0.01 0.76 -0.25 0.00 -1.03 0.00 0.00 55.69 55.17 1a27 s MET 147 Cb 0.05 0.27 -0.09 0.00 -1.53 0.00 0.00 34.83 33.53 1a27 s MET 147 CO 0.31 -0.08 1.04 0.20 -2.03 0.00 0.00 175.02 174.46 1a27 s GLY 148 N 0.42 2.77 -0.05 3.16 0.00 -1.26 -4.33 107.32 108.03 1a27 s GLY 148 Ca -0.01 0.70 0.03 0.00 0.00 0.00 0.00 44.72 45.44 1a27 s GLY 148 CO -0.01 1.15 -0.14 1.08 0.00 0.00 0.00 173.10 175.18 1a27 s LEU 149 N -2.47 1.76 0.34 0.66 1.43 -1.26 -5.08 118.68 114.06 1a27 s LEU 149 Ca 0.56 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 1a27 s LEU 149 Cb -0.22 -0.85 -0.11 0.00 0.03 0.00 0.00 46.19 45.04 1a27 s LEU 149 CO 0.28 0.08 1.42 -2.16 0.23 0.00 0.00 176.35 176.21 1a27 s PRO 150 N 0.40 4.22 -0.68 1.29 0.04 -1.26 -2.07 135.00 136.94 1a27 s PRO 150 Ca -0.10 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1a27 s PRO 150 Cb -0.14 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1a27 s PRO 150 CO 0.03 -0.40 0.00 1.19 0.04 0.00 0.00 177.00 177.86 1a27 n PHE 151 N 0.97 0.00 -1.83 0.56 3.72 -1.26 -4.82 117.46 114.79 1a27 n PHE 151 Ca 0.02 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.47 1a27 n PHE 151 Cb 0.40 -1.65 0.12 0.00 -0.94 0.00 0.00 39.48 37.41 1a27 n PHE 151 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1a27 n ASN 152 N -0.11 1.40 -0.22 4.37 4.13 -0.88 -1.72 115.26 122.23 1a27 n ASN 152 Ca -0.06 -2.97 -0.11 0.00 1.68 0.00 0.00 54.58 53.12 1a27 n ASN 152 Cb 0.32 -0.40 -0.07 0.00 -1.54 0.00 0.00 39.78 38.09 1a27 n ASN 152 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1a27 h ASP 153 N 0.72 -1.76 0.40 6.41 3.32 -1.86 0.72 116.42 124.37 1a27 h ASP 153 Ca -0.07 0.26 -0.16 0.00 0.02 0.00 0.00 57.03 57.08 1a27 h ASP 153 Cb 1.32 0.76 -0.01 0.00 0.22 0.00 0.00 39.33 41.62 1a27 h ASP 153 CO 0.03 -0.35 -0.66 0.58 -1.72 0.00 0.00 179.24 177.13 1a27 h VAL 154 N -0.26 1.41 -0.06 -1.35 2.07 -1.91 -0.87 116.25 115.29 1a27 h VAL 154 Ca 0.14 -2.10 -0.00 0.00 0.82 0.00 0.00 66.70 65.55 1a27 h VAL 154 Cb 0.55 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1a27 h VAL 154 CO -0.70 0.62 0.02 0.22 0.02 0.00 0.00 177.57 177.76 1a27 h TYR 155 N 0.17 0.09 -0.45 1.57 3.20 -1.58 0.76 116.97 120.72 1a27 h TYR 155 Ca -0.01 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1a27 h TYR 155 Cb 1.19 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 1a27 h TYR 155 CO 0.02 0.21 0.07 0.00 -1.64 0.00 0.00 178.16 176.82 1a27 h ALA 157 N 1.41 0.55 -0.29 0.00 0.00 -0.76 0.13 119.26 120.30 1a27 h ALA 157 Ca 0.15 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1a27 h ALA 157 Cb 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1a27 h ALA 157 CO 0.00 -0.17 -0.23 0.66 0.00 0.00 0.00 179.25 179.52 1a27 h SER 158 N 0.40 0.55 0.15 0.00 4.64 -0.05 -1.65 113.55 117.59 1a27 h SER 158 Ca 0.20 -0.18 -0.31 0.00 -0.47 0.00 0.00 61.79 61.03 1a27 h SER 158 Cb 0.14 -0.15 0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1a27 h SER 158 CO -0.16 0.78 -1.30 0.11 -0.87 0.00 0.00 176.83 175.38 1a27 h LYS 159 N 0.49 0.61 -0.94 4.77 1.79 -0.65 -2.96 116.57 119.68 1a27 h LYS 159 Ca 0.07 -0.86 0.04 0.00 -2.18 0.00 0.00 60.65 57.73 1a27 h LYS 159 Cb 0.66 0.29 -0.06 0.00 -1.58 0.00 0.00 32.23 31.55 1a27 h LYS 159 CO 0.05 1.40 0.61 0.74 -1.08 0.00 0.00 179.45 181.17 1a27 h PHE 160 N 0.24 1.13 -0.75 -1.35 -1.00 -0.73 -2.12 116.94 112.36 1a27 h PHE 160 Ca -0.21 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.63 1a27 h PHE 160 Cb 1.98 -0.38 -0.04 0.00 3.61 0.00 0.00 35.95 41.12 1a27 h PHE 160 CO 0.12 0.64 0.49 0.00 -1.61 0.00 0.00 178.31 177.96 1a27 h ALA 161 N 1.46 1.55 -0.23 2.45 0.00 -1.16 -1.01 119.26 122.32 1a27 h ALA 161 Ca 0.38 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1a27 h ALA 161 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1a27 h ALA 161 CO -0.12 0.38 -0.38 -0.07 0.00 0.00 0.00 179.25 179.06 1a27 h LEU 162 N 0.93 0.54 -0.25 0.00 3.38 -1.25 0.13 115.31 118.78 1a27 h LEU 162 Ca 0.30 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1a27 h LEU 162 Cb 0.03 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1a27 h LEU 162 CO -0.08 0.87 0.04 -0.33 0.09 0.00 0.00 178.44 179.02 1a27 h GLU 163 N 0.43 0.13 -0.21 1.13 4.39 -0.70 0.19 114.58 119.93 1a27 h GLU 163 Ca 0.04 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1a27 h GLU 163 Cb 0.86 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1a27 h GLU 163 CO 0.07 0.09 0.06 0.78 -1.16 0.00 0.00 179.01 178.84 1a27 h GLY 164 N 0.13 0.36 0.55 -3.84 0.00 -0.92 -0.14 103.07 99.21 1a27 h GLY 164 Ca 0.12 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.25 1a27 h GLY 164 CO -0.16 0.21 -0.20 -2.00 0.00 0.00 0.00 176.54 174.38 1a27 h LEU 165 N 0.16 -0.58 -0.35 3.11 5.85 -0.65 -1.02 115.31 121.83 1a27 h LEU 165 Ca 0.07 0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 1a27 h LEU 165 Cb 0.26 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1a27 h LEU 165 CO -0.00 -0.27 -0.37 0.00 -0.34 0.00 0.00 178.44 177.46 1a27 h GLU 167 N 0.65 0.65 -0.59 0.00 4.81 -0.94 -0.08 114.58 119.09 1a27 h GLU 167 Ca 0.05 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1a27 h GLU 167 Cb 0.96 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 1a27 h GLU 167 CO 0.09 0.43 0.31 0.77 -0.73 0.00 0.00 179.01 179.88 1a27 h SER 168 N 0.67 0.75 -0.42 1.04 0.02 -1.04 -2.33 113.55 112.24 1a27 h SER 168 Ca 0.25 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1a27 h SER 168 Cb 0.07 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1a27 h SER 168 CO -0.13 0.64 0.03 -0.07 -1.14 0.00 0.00 176.83 176.17 1a27 h LEU 169 N 0.80 0.76 -1.14 5.07 3.38 -0.87 -3.10 115.31 120.20 1a27 h LEU 169 Ca 0.21 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1a27 h LEU 169 Cb 0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1a27 h LEU 169 CO -0.03 0.81 0.55 0.00 0.09 0.00 0.00 178.44 179.85 1a27 h ALA 170 N 1.28 1.37 -0.45 1.53 0.00 -0.50 -1.05 119.26 121.44 1a27 h ALA 170 Ca 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1a27 h ALA 170 Cb 0.41 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1a27 h ALA 170 CO 0.01 0.57 0.17 0.28 0.00 0.00 0.00 179.25 180.29 1a27 h VAL 171 N 1.16 1.17 -0.01 0.00 2.07 -1.38 -3.13 116.25 116.14 1a27 h VAL 171 Ca 0.31 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 1a27 h VAL 171 Cb -0.11 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1a27 h VAL 171 CO -0.06 0.21 -0.30 0.25 0.02 0.00 0.00 177.57 177.69 1a27 h LEU 172 N 0.64 0.29 -2.06 2.57 5.85 -1.28 -3.39 115.31 117.92 1a27 h LEU 172 Ca 0.16 -0.75 0.01 0.00 0.84 0.00 0.00 57.88 58.13 1a27 h LEU 172 Cb 0.14 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1a27 h LEU 172 CO -0.01 1.00 0.02 -0.07 -0.34 0.00 0.00 178.44 179.03 1a27 h LEU 173 N -0.40 0.00 -0.68 2.25 3.38 -1.27 -3.35 115.31 115.24 1a27 h LEU 173 Ca -0.03 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1a27 h LEU 173 Cb 1.03 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.67 1a27 h LEU 173 CO 0.06 0.00 -0.51 -0.07 0.09 0.00 0.00 178.44 178.01 1a27 h LEU 174 N 0.00 -1.79 -1.84 1.67 4.07 -1.75 0.16 115.31 115.84 1a27 h LEU 174 Ca 0.01 0.27 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1a27 h LEU 174 Cb 0.06 0.79 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1a27 h LEU 174 CO -0.00 -0.32 0.04 1.55 -1.08 0.00 0.00 178.44 178.63 1a27 h PRO 175 N -0.19 0.00 -0.01 1.13 0.13 -1.90 -0.40 132.00 130.75 1a27 h PRO 175 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1a27 h PRO 175 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1a27 h PRO 175 CO -0.76 0.00 -0.27 1.19 -0.23 0.00 0.00 178.00 177.93 1a27 n PHE 176 N -2.49 0.00 -2.12 1.56 3.01 0.55 -4.94 117.46 113.03 1a27 n PHE 176 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.32 1a27 n PHE 176 Cb 0.08 -0.09 -0.01 0.00 -0.01 0.00 0.00 39.48 39.45 1a27 n PHE 176 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a27 n GLY 177 N 1.34 0.06 3.37 1.37 0.00 -0.16 -3.85 105.19 107.31 1a27 n GLY 177 Ca 0.12 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1a27 n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a27 s VAL 178 N -2.60 3.19 -0.11 1.61 1.01 -1.23 -3.70 120.40 118.58 1a27 s VAL 178 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 1a27 s VAL 178 Cb 0.00 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1a27 s VAL 178 CO 0.00 0.50 0.08 -1.00 0.00 0.00 0.00 175.10 174.68 1a27 s HIS 179 N 0.60 3.41 -0.06 5.22 3.76 -0.33 -4.31 115.29 123.57 1a27 s HIS 179 Ca -0.06 0.38 0.03 0.00 -0.15 0.00 0.00 55.06 55.26 1a27 s HIS 179 Cb -0.15 -1.88 0.00 0.00 1.11 0.00 0.00 32.58 31.67 1a27 s HIS 179 CO 0.03 0.62 -0.16 -1.17 -0.85 0.00 0.00 174.74 173.21 1a27 s LEU 180 N -0.95 1.81 0.05 0.89 0.20 -1.26 -0.48 118.68 118.95 1a27 s LEU 180 Ca 0.14 -0.35 0.02 0.00 0.69 0.00 0.00 54.13 54.63 1a27 s LEU 180 Cb -0.12 -0.96 -0.03 0.00 -0.43 0.00 0.00 46.19 44.66 1a27 s LEU 180 CO 0.03 0.10 -0.08 -0.44 -0.29 0.00 0.00 176.35 175.67 1a27 s SER 181 N 0.37 0.95 -0.10 3.68 0.01 -0.34 -4.41 113.70 113.86 1a27 s SER 181 Ca -0.11 -0.62 -0.01 0.00 1.31 0.00 0.00 55.95 56.51 1a27 s SER 181 Cb -0.14 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 1a27 s SER 181 CO 0.04 -0.24 -0.04 -0.76 0.41 0.00 0.00 173.24 172.65 1a27 s LEU 182 N -1.81 3.29 -0.57 2.44 1.43 0.25 -1.05 118.68 122.66 1a27 s LEU 182 Ca -0.06 -0.01 -0.15 0.00 -1.03 0.00 0.00 54.13 52.88 1a27 s LEU 182 Cb -0.08 -1.75 0.14 0.00 0.03 0.00 0.00 46.19 44.53 1a27 s LEU 182 CO -0.00 0.31 0.51 -0.63 0.23 0.00 0.00 176.35 176.77 1a27 s ILE 183 N -0.47 5.13 -0.44 -0.59 -1.09 -0.14 -1.19 121.20 122.40 1a27 s ILE 183 Ca 0.07 -1.66 -0.29 0.00 -2.23 0.00 0.00 60.65 56.54 1a27 s ILE 183 Cb -0.12 -4.28 0.03 0.00 -1.58 0.00 0.00 42.46 36.51 1a27 s ILE 183 CO 0.02 -0.88 1.13 -1.61 -1.23 0.00 0.00 174.94 172.37 1a27 s GLU 184 N 1.39 3.80 -0.00 2.79 0.41 0.78 0.35 118.70 128.20 1a27 s GLU 184 Ca 0.05 0.68 -0.01 0.00 -0.41 0.00 0.00 54.97 55.28 1a27 s GLU 184 Cb -0.27 -3.87 -0.04 0.00 -1.78 0.00 0.00 34.13 28.17 1a27 s GLU 184 CO 0.01 -1.28 0.09 0.00 -0.49 0.00 0.00 175.26 173.59 1a27 n GLY 186 N 1.17 1.62 3.75 0.00 0.00 -1.26 -1.80 105.19 108.68 1a27 n GLY 186 Ca -0.13 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 1a27 n GLY 186 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a27 s PRO 187 N 2.86 4.19 -0.03 1.61 0.04 -1.26 -4.88 135.00 137.53 1a27 s PRO 187 Ca 0.00 2.44 0.03 0.00 0.04 0.00 0.00 61.00 63.52 1a27 s PRO 187 Cb 0.00 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1a27 s PRO 187 CO 0.00 -0.51 -0.13 0.08 0.04 0.00 0.00 177.00 176.48 1a27 s VAL 188 N -0.22 1.10 -0.59 -0.36 1.01 -1.26 -1.42 120.40 118.67 1a27 s VAL 188 Ca 0.59 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 1a27 s VAL 188 Cb -0.45 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 1a27 s VAL 188 CO 0.48 0.33 1.64 -1.00 0.00 0.00 0.00 175.10 176.56 1a27 s HIS 189 N 0.12 1.94 0.00 5.22 3.76 0.62 -4.60 115.29 122.35 1a27 s HIS 189 Ca -0.04 0.56 0.00 0.00 -0.15 0.00 0.00 55.06 55.44 1a27 s HIS 189 Cb -0.10 -4.26 0.00 0.00 1.11 0.00 0.00 32.58 29.33 1a27 s HIS 189 CO 0.01 -2.25 0.00 0.25 -0.85 0.00 0.00 174.74 171.90 1a27 n THR 190 N 7.01 0.00 -1.00 1.30 -2.24 -1.26 -4.35 114.28 113.74 1a27 n THR 190 Ca 0.16 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1a27 n THR 190 Cb 0.50 0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1a27 n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a27 n ALA 191 N 0.00 -0.00 -0.14 6.98 0.00 -1.26 -4.46 120.51 121.63 1a27 n ALA 191 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 1a27 n ALA 191 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 19.45 19.40 1a27 n ALA 191 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1a27 h PHE 192 N 0.00 0.80 -0.11 0.00 3.57 -1.95 -3.13 116.94 116.11 1a27 h PHE 192 Ca -0.00 -0.15 -0.21 0.00 3.53 0.00 0.00 57.97 61.14 1a27 h PHE 192 Cb 0.13 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1a27 h PHE 192 CO 0.08 0.82 -0.78 1.98 -2.23 0.00 0.00 178.31 178.17 1a27 h MET 193 N 0.55 0.62 -0.29 1.11 4.05 -1.91 -3.08 114.93 115.98 1a27 h MET 193 Ca 0.11 -0.52 0.08 0.00 -0.28 0.00 0.00 59.70 59.09 1a27 h MET 193 Cb 0.52 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.42 1a27 h MET 193 CO 0.03 1.14 0.31 1.05 0.23 0.00 0.00 176.91 179.67 1a27 h GLU 194 N 0.42 0.00 -0.08 0.39 4.11 -1.93 0.46 114.58 117.95 1a27 h GLU 194 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1a27 h GLU 194 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1a27 h GLU 194 CO 0.15 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.86 1a27 n LYS 195 N -3.78 1.33 0.07 1.06 5.02 -1.22 -4.43 118.16 116.22 1a27 n LYS 195 Ca 0.04 -1.52 0.09 0.00 -2.02 0.00 0.00 58.31 54.90 1a27 n LYS 195 Cb 0.46 -1.30 0.38 0.00 -0.02 0.00 0.00 35.03 34.55 1a27 n LYS 195 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a27 n VAL 196 N 0.86 1.07 0.00 -0.18 0.31 0.16 -4.92 118.33 115.63 1a27 n VAL 196 Ca 0.10 0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 1a27 n VAL 196 Cb 0.39 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 1a27 n VAL 196 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1a27 n LEU 197 N -1.89 0.00 0.00 7.52 7.94 -1.25 -3.49 117.00 125.83 1a27 n LEU 197 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1a27 n LEU 197 Cb 0.15 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1a27 n LEU 197 CO 0.14 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.03 1a27 n GLY 198 N -1.55 1.24 0.76 -3.96 0.00 -1.26 -5.01 105.19 95.41 1a27 n GLY 198 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1a27 n GLY 198 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a27 n SER 199 N -0.19 -1.02 0.19 1.61 3.41 -1.26 -4.94 113.62 111.42 1a27 n SER 199 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 1a27 n SER 199 Cb 0.00 -0.39 0.56 0.00 -0.26 0.00 0.00 64.21 64.12 1a27 n SER 199 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1a27 h PRO 200 N 0.00 0.15 -0.10 4.33 0.11 -2.00 -2.66 132.00 131.83 1a27 h PRO 200 Ca 0.00 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.11 1a27 h PRO 200 Cb 0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1a27 h PRO 200 CO 0.00 0.12 0.01 0.93 -0.21 0.00 0.00 178.00 178.86 1a27 h GLU 201 N 0.15 0.05 -0.16 1.05 3.07 -2.00 -0.61 114.58 116.13 1a27 h GLU 201 Ca 0.04 -0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.74 1a27 h GLU 201 Cb 0.03 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1a27 h GLU 201 CO -0.00 0.03 -0.54 1.05 -1.40 0.00 0.00 179.01 178.15 1a27 h GLU 202 N 0.05 0.47 -0.27 2.33 -0.00 -1.88 -3.05 114.58 112.23 1a27 h GLU 202 Ca 0.04 -0.29 -0.07 0.00 -0.00 0.00 0.00 59.36 59.04 1a27 h GLU 202 Cb 0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 28.82 1a27 h GLU 202 CO -0.07 0.89 -0.12 0.28 -0.00 0.00 0.00 179.01 179.99 1a27 h VAL 203 N 0.36 1.30 -0.73 -1.06 2.07 -1.29 -2.72 116.25 114.18 1a27 h VAL 203 Ca 0.01 -1.20 0.03 0.00 0.82 0.00 0.00 66.70 66.37 1a27 h VAL 203 Cb 1.06 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 1a27 h VAL 203 CO 0.10 0.38 0.48 0.25 0.02 0.00 0.00 177.57 178.80 1a27 h LEU 204 N 0.29 0.77 -1.75 2.57 6.46 -1.14 0.80 115.31 123.32 1a27 h LEU 204 Ca 0.06 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1a27 h LEU 204 Cb 0.63 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1a27 h LEU 204 CO 0.04 0.53 -0.14 -0.78 -0.62 0.00 0.00 178.44 177.47 1a27 h ASP 205 N 0.89 0.00 -0.01 1.25 3.58 -1.38 -3.00 116.42 117.76 1a27 h ASP 205 Ca 0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1a27 h ASP 205 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1a27 h ASP 205 CO -0.08 0.14 -0.03 0.54 -2.88 0.00 0.00 179.24 176.93 1a27 n ARG 206 N -4.28 1.90 -4.01 0.28 1.74 0.22 -4.99 116.66 107.52 1a27 n ARG 206 Ca -0.03 -1.37 -0.17 0.00 -0.77 0.00 0.00 57.85 55.51 1a27 n ARG 206 Cb 0.21 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 1a27 n ARG 206 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1a27 n THR 207 N 0.65 0.00 -2.11 0.55 5.66 -0.88 -4.15 114.28 114.00 1a27 n THR 207 Ca 0.16 -2.06 -0.29 0.00 -3.05 0.00 0.00 64.05 58.81 1a27 n THR 207 Cb 0.47 1.11 0.03 0.00 -1.55 0.00 0.00 70.33 70.38 1a27 n THR 207 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1a27 s ASP 208 N -3.15 5.82 0.39 1.09 -4.77 -1.26 -4.86 116.67 109.94 1a27 s ASP 208 Ca 0.34 1.09 0.08 0.00 -3.30 0.00 0.00 52.55 50.76 1a27 s ASP 208 Cb 0.01 -2.08 0.81 0.00 -1.09 0.00 0.00 42.92 40.56 1a27 s ASP 208 CO 0.24 -1.03 1.97 -0.29 0.70 0.00 0.00 175.17 176.76 1a27 h ILE 209 N -0.32 1.15 -0.02 2.11 6.09 -1.99 -0.80 117.51 123.72 1a27 h ILE 209 Ca -0.45 -0.55 -0.22 0.00 -1.37 0.00 0.00 64.86 62.27 1a27 h ILE 209 Cb 1.23 0.94 0.02 0.00 0.47 0.00 0.00 36.82 39.47 1a27 h ILE 209 CO 0.62 0.19 -0.83 0.45 -3.07 0.00 0.00 178.15 175.51 1a27 h HIS 210 N 0.36 0.88 -0.52 2.19 3.86 -1.99 -2.31 115.15 117.62 1a27 h HIS 210 Ca 0.08 -0.46 -0.04 0.00 -1.16 0.00 0.00 60.37 58.80 1a27 h HIS 210 Cb 0.21 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1a27 h HIS 210 CO 0.01 1.29 0.18 1.15 0.86 0.00 0.00 177.93 181.42 1a27 h THR 211 N 0.22 1.23 -0.35 2.45 2.02 -1.91 -1.18 112.91 115.39 1a27 h THR 211 Ca -0.10 -0.74 0.06 0.00 0.77 0.00 0.00 66.41 66.40 1a27 h THR 211 Cb 1.50 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 1a27 h THR 211 CO 0.16 0.27 0.04 0.15 0.37 0.00 0.00 175.52 176.52 1a27 h PHE 212 N 0.71 0.07 -0.49 3.16 3.57 -1.14 0.68 116.94 123.50 1a27 h PHE 212 Ca 0.17 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1a27 h PHE 212 Cb 0.24 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1a27 h PHE 212 CO 0.01 -0.01 0.32 1.25 -2.23 0.00 0.00 178.31 177.65 1a27 h HIS 213 N 0.15 0.61 -0.07 0.41 2.76 -1.22 -1.07 115.15 116.72 1a27 h HIS 213 Ca 0.17 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 1a27 h HIS 213 Cb 0.20 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1a27 h HIS 213 CO -0.21 0.38 -0.18 0.00 -1.30 0.00 0.00 177.93 176.62 1a27 h ARG 214 N 0.65 0.11 -0.43 5.26 2.47 -0.70 -1.65 114.38 120.09 1a27 h ARG 214 Ca 0.18 -0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.80 1a27 h ARG 214 Cb -0.07 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 1a27 h ARG 214 CO -0.04 0.29 -0.03 0.35 0.56 0.00 0.00 179.97 181.10 1a27 h PHE 215 N 0.10 0.86 -0.66 3.04 3.57 0.18 -0.36 116.94 123.67 1a27 h PHE 215 Ca 0.02 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 1a27 h PHE 215 Cb 0.38 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1a27 h PHE 215 CO 0.00 0.85 0.32 -0.92 -2.23 0.00 0.00 178.31 176.34 1a27 h TYR 216 N 0.62 0.93 -0.27 0.41 5.03 -0.70 -0.47 116.97 122.52 1a27 h TYR 216 Ca 0.12 -0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.26 1a27 h TYR 216 Cb 0.53 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1a27 h TYR 216 CO 0.04 0.68 -0.39 1.96 -1.32 0.00 0.00 178.16 179.13 1a27 h GLN 217 N 0.93 0.62 -0.35 1.82 4.20 -0.93 -0.33 115.11 121.07 1a27 h GLN 217 Ca 0.23 -0.31 -0.13 0.00 0.06 0.00 0.00 58.65 58.50 1a27 h GLN 217 Cb 0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1a27 h GLN 217 CO -0.03 0.90 -0.32 -0.92 -0.67 0.00 0.00 178.83 177.80 1a27 h TYR 218 N 0.51 0.91 -0.49 2.96 3.20 -0.37 -1.67 116.97 122.02 1a27 h TYR 218 Ca 0.05 -0.24 -0.12 0.00 3.14 0.00 0.00 58.73 61.56 1a27 h TYR 218 Cb 0.90 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1a27 h TYR 218 CO 0.04 0.99 -0.17 -0.07 -1.64 0.00 0.00 178.16 177.31 1a27 h LEU 219 N 0.66 0.97 0.03 2.82 3.38 -0.95 0.18 115.31 122.40 1a27 h LEU 219 Ca 0.07 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1a27 h LEU 219 Cb 0.85 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1a27 h LEU 219 CO 0.07 1.12 -0.02 0.00 0.09 0.00 0.00 178.44 179.71 1a27 h ALA 220 N 0.96 -0.04 -0.81 1.53 0.00 -0.88 -2.42 119.26 117.59 1a27 h ALA 220 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1a27 h ALA 220 Cb 0.73 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1a27 h ALA 220 CO 0.06 -0.49 0.53 1.25 0.00 0.00 0.00 179.25 180.60 1a27 h HIS 221 N -0.12 1.00 0.00 0.00 -0.00 -1.13 -1.61 115.15 113.30 1a27 h HIS 221 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1a27 h HIS 221 Cb 0.11 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.18 1a27 h HIS 221 CO -0.05 0.62 0.00 0.66 -0.00 0.00 0.00 177.93 179.16 1a27 h SER 222 N 1.07 0.00 -0.49 3.26 4.64 -0.56 0.05 113.55 121.53 1a27 h SER 222 Ca 0.30 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.56 1a27 h SER 222 Cb -0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1a27 h SER 222 CO -0.07 0.00 0.07 0.11 -0.87 0.00 0.00 176.83 176.06 1a27 h LYS 223 N 0.00 0.81 -0.23 4.77 1.57 -0.78 -1.74 116.57 120.96 1a27 h LYS 223 Ca 0.00 -0.23 -0.19 0.00 -1.87 0.00 0.00 60.65 58.36 1a27 h LYS 223 Cb 0.57 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1a27 h LYS 223 CO 0.00 0.82 -0.62 0.37 -0.57 0.00 0.00 179.45 179.45 1a27 h GLN 224 N 0.68 0.81 -0.76 3.15 5.75 -1.14 -2.80 115.11 120.81 1a27 h GLN 224 Ca 0.15 -0.56 -0.01 0.00 -0.15 0.00 0.00 58.65 58.08 1a27 h GLN 224 Cb 0.41 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.01 1a27 h GLN 224 CO 0.01 1.18 0.43 0.28 -2.65 0.00 0.00 178.83 178.08 1a27 h VAL 225 N 0.60 1.22 -0.04 2.39 2.07 -0.89 0.59 116.25 122.19 1a27 h VAL 225 Ca -0.01 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1a27 h VAL 225 Cb 1.23 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1a27 h VAL 225 CO 0.13 0.24 0.02 0.15 0.02 0.00 0.00 177.57 178.14 1a27 h PHE 226 N 1.04 0.05 -0.62 1.57 3.57 -1.34 0.80 116.94 122.00 1a27 h PHE 226 Ca 0.27 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1a27 h PHE 226 Cb 0.02 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1a27 h PHE 226 CO -0.00 0.03 0.25 0.00 -2.23 0.00 0.00 178.31 176.36 1a27 h ARG 227 N 0.05 0.92 -0.53 1.11 -0.00 -1.25 0.15 114.38 114.83 1a27 h ARG 227 Ca 0.02 -0.17 -0.12 0.00 -0.50 0.00 0.00 59.98 59.21 1a27 h ARG 227 Cb -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 29.80 1a27 h ARG 227 CO -0.01 0.78 -0.14 0.93 0.00 0.00 0.00 179.97 181.53 1a27 h GLU 228 N 0.86 1.02 0.00 0.04 5.08 0.65 -3.38 114.58 118.86 1a27 h GLU 228 Ca 0.21 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1a27 h GLU 228 Cb 0.20 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1a27 h GLU 228 CO -0.02 1.08 0.00 0.00 -1.00 0.00 0.00 179.01 179.07 1a27 n ALA 229 N -2.51 2.30 -1.77 3.43 0.00 0.27 -5.04 120.51 117.20 1a27 n ALA 229 Ca 0.01 -0.43 -0.40 0.00 0.00 0.00 0.00 53.44 52.62 1a27 n ALA 229 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.87 1a27 n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a27 s ALA 230 N -0.06 3.27 0.36 0.00 0.00 0.52 -4.47 121.76 121.38 1a27 s ALA 230 Ca 0.00 1.37 0.08 0.00 0.00 0.00 0.00 51.96 53.41 1a27 s ALA 230 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1a27 s ALA 230 CO 0.00 -1.03 0.34 -0.65 0.00 0.00 0.00 175.76 174.42 1a27 s GLN 231 N -2.34 2.68 0.13 0.00 -0.21 -0.50 -4.85 119.66 114.56 1a27 s GLN 231 Ca 0.59 -1.36 -0.08 0.00 0.02 0.00 0.00 55.36 54.53 1a27 s GLN 231 Cb -0.41 -2.47 -0.06 0.00 1.00 0.00 0.00 33.01 31.06 1a27 s GLN 231 CO 0.54 -0.01 0.41 -0.80 -2.12 0.00 0.00 175.29 173.30 1a27 s ASN 232 N -4.06 6.58 0.57 5.90 -0.87 -1.26 -0.28 114.94 121.52 1a27 s ASN 232 Ca 0.44 0.73 0.27 0.00 -1.57 0.00 0.00 52.86 52.73 1a27 s ASN 232 Cb -0.05 -2.15 1.53 0.00 -0.02 0.00 0.00 41.25 40.56 1a27 s ASN 232 CO 0.27 0.09 2.02 1.55 -2.57 0.00 0.00 177.10 178.46 1a27 h PRO 233 N 3.19 0.00 -0.67 -0.60 0.13 -1.93 -1.00 132.00 131.11 1a27 h PRO 233 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1a27 h PRO 233 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1a27 h PRO 233 CO 0.69 0.00 0.23 0.93 -0.23 0.00 0.00 178.00 179.62 1a27 h GLU 234 N 0.00 1.03 -0.35 0.86 3.07 -1.94 0.13 114.58 117.39 1a27 h GLU 234 Ca 0.16 -0.21 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 1a27 h GLU 234 Cb 0.81 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 1a27 h GLU 234 CO -0.00 0.88 0.08 0.93 -1.40 0.00 0.00 179.01 179.50 1a27 h GLU 235 N 0.97 0.56 -0.56 2.33 5.08 -1.59 -2.72 114.58 118.66 1a27 h GLU 235 Ca 0.22 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1a27 h GLU 235 Cb 0.27 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1a27 h GLU 235 CO -0.01 0.62 0.25 0.28 -1.00 0.00 0.00 179.01 179.15 1a27 h VAL 236 N 0.41 1.21 -0.85 3.13 2.07 -1.27 -2.54 116.25 118.40 1a27 h VAL 236 Ca 0.11 -0.61 0.16 0.00 0.82 0.00 0.00 66.70 67.18 1a27 h VAL 236 Cb 0.31 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1a27 h VAL 236 CO 0.00 0.24 0.56 0.00 0.02 0.00 0.00 177.57 178.39 1a27 h ALA 237 N 1.09 2.03 0.00 1.67 0.00 -0.74 -0.03 119.26 123.28 1a27 h ALA 237 Ca 0.19 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1a27 h ALA 237 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1a27 h ALA 237 CO -0.02 -0.27 -0.28 1.49 0.00 0.00 0.00 179.25 180.17 1a27 h GLU 238 N 0.52 0.00 -0.16 0.00 4.57 -1.15 -2.23 114.58 116.13 1a27 h GLU 238 Ca 0.43 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.45 1a27 h GLU 238 Cb 0.90 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 1a27 h GLU 238 CO -0.17 0.28 -0.57 0.28 -1.18 0.00 0.00 179.01 177.64 1a27 h VAL 239 N 0.00 1.33 -0.43 0.32 2.07 -0.96 -1.31 116.25 117.27 1a27 h VAL 239 Ca -0.00 -1.84 -0.03 0.00 0.82 0.00 0.00 66.70 65.65 1a27 h VAL 239 Cb 0.53 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1a27 h VAL 239 CO 0.04 0.57 0.17 -0.26 0.02 0.00 0.00 177.57 178.10 1a27 h PHE 240 N 0.39 0.66 -0.82 1.57 -1.00 -1.26 -1.57 116.94 114.90 1a27 h PHE 240 Ca 0.00 -0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.70 1a27 h PHE 240 Cb 1.12 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 40.44 1a27 h PHE 240 CO 0.04 0.57 0.40 1.25 -1.61 0.00 0.00 178.31 178.97 1a27 h LEU 241 N 0.55 1.08 -0.33 1.54 6.46 -1.41 0.22 115.31 123.41 1a27 h LEU 241 Ca 0.14 -0.13 0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1a27 h LEU 241 Cb 0.20 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 39.80 1a27 h LEU 241 CO -0.01 0.91 -0.02 0.74 -0.62 0.00 0.00 178.44 179.44 1a27 h THR 242 N 1.17 0.74 -0.41 1.05 2.02 -0.88 0.32 112.91 116.91 1a27 h THR 242 Ca 0.28 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 1a27 h THR 242 Cb 0.11 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1a27 h THR 242 CO -0.04 0.01 0.19 0.00 0.37 0.00 0.00 175.52 176.06 1a27 h ALA 243 N 1.30 0.53 0.00 6.16 0.00 -0.17 -2.21 119.26 124.87 1a27 h ALA 243 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a27 h ALA 243 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1a27 h ALA 243 CO -0.28 0.10 0.00 1.37 0.00 0.00 0.00 179.25 180.44 1a27 h LEU 244 N 0.52 0.00 0.11 0.00 8.10 -0.22 -3.10 115.31 120.73 1a27 h LEU 244 Ca 0.14 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.97 1a27 h LEU 244 Cb 0.13 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.37 1a27 h LEU 244 CO -0.02 0.00 -0.72 0.03 -4.11 0.00 0.00 178.44 173.63 1a27 h ARG 245 N 0.00 0.23 -6.24 0.17 3.08 -0.53 -3.46 114.38 107.62 1a27 h ARG 245 Ca 0.00 -0.39 -0.69 0.00 0.07 0.00 0.00 59.98 58.96 1a27 h ARG 245 Cb 0.45 0.15 0.05 0.00 0.08 0.00 0.00 29.97 30.69 1a27 h ARG 245 CO 0.00 1.19 0.56 0.00 -1.07 0.00 0.00 179.97 180.64 1a27 n ALA 246 N -2.70 -0.80 0.25 0.04 0.00 -0.87 -4.85 120.51 111.58 1a27 n ALA 246 Ca -0.14 0.49 0.08 0.00 0.00 0.00 0.00 53.44 53.87 1a27 n ALA 246 Cb 0.76 -2.11 0.63 0.00 0.00 0.00 0.00 19.45 18.73 1a27 n ALA 246 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1a27 h PRO 247 N 5.17 0.00 -2.52 0.00 0.13 -1.89 -3.30 132.00 129.58 1a27 h PRO 247 Ca -0.47 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.06 1a27 h PRO 247 Cb 1.33 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.07 1a27 h PRO 247 CO 0.82 0.11 -0.89 1.17 -0.23 0.00 0.00 178.00 178.98 1a27 n LYS 248 N -4.19 0.58 -1.83 0.86 0.00 -1.26 -5.12 118.16 107.20 1a27 n LYS 248 Ca -0.03 -3.48 -0.41 0.00 0.00 0.00 0.00 58.31 54.39 1a27 n LYS 248 Cb 0.19 -1.81 -0.02 0.00 0.00 0.00 0.00 35.03 33.39 1a27 n LYS 248 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 1a27 s PRO 249 N -0.32 4.15 0.79 1.64 0.02 -1.25 -5.01 135.00 135.02 1a27 s PRO 249 Ca 0.31 2.52 -0.11 0.00 0.02 0.00 0.00 61.00 63.74 1a27 s PRO 249 Cb 0.02 -3.04 0.07 0.00 0.02 0.00 0.00 34.50 31.58 1a27 s PRO 249 CO -0.19 -0.59 1.16 0.95 -0.33 0.00 0.00 177.00 178.00 1a27 s THR 250 N 0.01 2.12 0.20 0.99 -4.23 -1.26 -4.90 115.64 108.57 1a27 s THR 250 Ca 0.63 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.12 1a27 s THR 250 Cb -0.47 -3.03 -0.05 0.00 1.34 0.00 0.00 72.50 70.29 1a27 s THR 250 CO 0.47 -0.04 1.51 0.25 -0.54 0.00 0.00 174.62 176.27 1a27 h LEU 251 N -0.99 0.57 -8.35 4.79 5.85 -1.95 -3.40 115.31 111.84 1a27 h LEU 251 Ca -0.46 -0.31 -0.52 0.00 0.84 0.00 0.00 57.88 57.43 1a27 h LEU 251 Cb 1.32 -0.16 -0.28 0.00 0.37 0.00 0.00 40.66 41.91 1a27 h LEU 251 CO 0.65 1.01 -0.82 -0.13 -0.34 0.00 0.00 178.44 178.81 1a27 s ARG 252 N -3.97 1.27 -0.03 1.25 0.52 -1.26 0.84 118.95 117.58 1a27 s ARG 252 Ca -0.07 -0.70 0.04 0.00 -0.52 0.00 0.00 55.73 54.48 1a27 s ARG 252 Cb 0.11 -1.27 -0.00 0.00 0.52 0.00 0.00 34.95 34.31 1a27 s ARG 252 CO 0.83 0.34 -0.13 0.71 0.02 0.00 0.00 175.30 177.07 1a27 s TYR 253 N -0.56 1.26 -0.10 -0.53 1.51 -0.33 -4.93 117.35 113.67 1a27 s TYR 253 Ca 0.06 -0.31 -0.00 0.00 -1.01 0.00 0.00 57.07 55.80 1a27 s TYR 253 Cb -0.07 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.90 1a27 s TYR 253 CO 0.00 -0.10 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.21 1a27 s PHE 254 N 0.00 2.92 -1.08 2.71 0.40 -1.26 -0.16 117.98 121.52 1a27 s PHE 254 Ca -0.01 -0.20 0.27 0.00 -0.60 0.00 0.00 56.93 56.39 1a27 s PHE 254 Cb -0.09 -1.80 0.81 0.00 0.51 0.00 0.00 43.02 42.45 1a27 s PHE 254 CO 0.01 0.12 1.62 0.25 0.70 0.00 0.00 175.22 177.92 1a27 n THR 255 N 2.84 0.00 -3.75 0.64 -2.24 -0.17 -4.82 114.28 106.77 1a27 n THR 255 Ca -0.18 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 1a27 n THR 255 Cb 0.53 -0.01 -0.09 0.00 -2.10 0.00 0.00 70.33 68.66 1a27 n THR 255 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1a27 s THR 256 N -2.94 0.05 -2.29 4.28 -1.32 -1.26 -5.01 115.64 107.16 1a27 s THR 256 Ca 0.14 -0.45 0.23 0.00 -1.21 0.00 0.00 61.69 60.40 1a27 s THR 256 Cb 0.18 -0.63 0.07 0.00 -1.51 0.00 0.00 72.50 70.61 1a27 s THR 256 CO 0.62 -0.25 1.17 -0.62 -2.21 0.00 0.00 174.62 173.33 1a27 n GLU 257 N 1.28 1.49 -0.34 7.08 -0.58 -1.26 -4.62 120.64 123.70 1a27 n GLU 257 Ca -0.21 -1.22 0.13 0.00 -0.42 0.00 0.00 57.16 55.44 1a27 n GLU 257 Cb 0.56 -1.47 0.32 0.00 -0.57 0.00 0.00 31.44 30.28 1a27 n GLU 257 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1a27 h ARG 258 N 2.97 0.63 -0.46 3.49 2.43 -2.00 -2.86 114.38 118.58 1a27 h ARG 258 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1a27 h ARG 258 Cb 0.80 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1a27 h ARG 258 CO 0.00 0.42 0.00 1.19 -1.51 0.00 0.00 179.97 180.07 1a27 n PHE 259 N -4.85 0.60 -0.21 2.20 3.72 -1.26 -4.68 117.46 112.99 1a27 n PHE 259 Ca 0.23 -0.34 -0.09 0.00 -0.05 0.00 0.00 57.45 57.21 1a27 n PHE 259 Cb 0.61 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.16 1a27 n PHE 259 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1a27 h LEU 260 N 3.97 0.92 -0.69 4.37 4.07 -1.83 -1.09 115.31 125.03 1a27 h LEU 260 Ca 0.00 -0.26 0.08 0.00 0.08 0.00 0.00 57.88 57.78 1a27 h LEU 260 Cb 0.92 -0.25 -0.07 0.00 1.08 0.00 0.00 40.66 42.35 1a27 h LEU 260 CO 0.00 0.95 0.36 -0.65 -1.08 0.00 0.00 178.44 178.01 1a27 h PRO 261 N 0.86 0.61 -0.63 1.13 0.10 -1.83 0.58 132.00 132.82 1a27 h PRO 261 Ca 0.18 -0.04 -0.05 0.00 0.10 0.00 0.00 66.00 66.19 1a27 h PRO 261 Cb 0.41 -0.14 -0.03 0.00 0.10 0.00 0.00 31.00 31.35 1a27 h PRO 261 CO 0.01 0.40 0.19 1.25 0.10 0.00 0.00 178.00 179.95 1a27 h LEU 262 N 0.62 0.92 -0.73 2.35 5.85 -1.84 -2.23 115.31 120.26 1a27 h LEU 262 Ca 0.33 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1a27 h LEU 262 Cb 0.31 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1a27 h LEU 262 CO -0.24 0.89 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.67 1a27 h LEU 263 N 0.90 0.94 -1.32 2.25 -0.00 0.47 -2.71 115.31 115.85 1a27 h LEU 263 Ca 0.20 -0.26 -0.06 0.00 -0.00 0.00 0.00 57.88 57.77 1a27 h LEU 263 Cb 0.30 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 1a27 h LEU 263 CO -0.01 1.00 -0.14 -0.09 -0.00 0.00 0.00 178.44 179.21 1a27 h ARG 264 N 0.89 0.29 -0.45 1.13 2.43 0.17 -2.64 114.38 116.19 1a27 h ARG 264 Ca 0.16 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1a27 h ARG 264 Cb 0.53 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1a27 h ARG 264 CO 0.03 0.43 0.00 0.00 -1.51 0.00 0.00 179.97 178.92 1a27 n MET 265 N -4.25 0.79 -0.01 0.20 0.00 -0.85 -1.59 117.12 111.42 1a27 n MET 265 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 57.70 57.77 1a27 n MET 265 Cb 0.29 -1.23 -0.11 0.00 0.00 0.00 0.00 33.22 32.17 1a27 n MET 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1a27 n ARG 266 N -0.16 0.81 -0.13 3.17 1.74 -1.00 -3.34 116.66 117.77 1a27 n ARG 266 Ca 0.00 -0.11 -0.26 0.00 -0.77 0.00 0.00 57.85 56.71 1a27 n ARG 266 Cb 0.11 -1.33 -0.09 0.00 -1.02 0.00 0.00 32.46 30.13 1a27 n ARG 266 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1a27 n LEU 267 N -1.89 1.87 0.12 0.55 4.77 -0.98 -4.11 117.00 117.34 1a27 n LEU 267 Ca -0.02 0.32 0.10 0.00 -0.03 0.00 0.00 56.01 56.39 1a27 n LEU 267 Cb 0.37 -0.78 0.48 0.00 -2.33 0.00 0.00 43.42 41.16 1a27 n LEU 267 CO 0.32 0.45 0.81 0.47 -1.33 0.00 0.00 177.39 178.11 1a27 n ASP 268 N -4.22 0.53 -3.71 -1.43 9.92 -0.62 -2.73 116.55 114.28 1a27 n ASP 268 Ca -0.48 0.68 -0.29 0.00 -0.53 0.00 0.00 54.79 54.17 1a27 n ASP 268 Cb 0.83 -0.77 -0.13 0.00 -0.64 0.00 0.00 41.12 40.41 1a27 n ASP 268 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1a27 s ASP 269 N -3.98 3.61 0.63 -2.24 2.15 -1.26 -5.00 116.67 110.59 1a27 s ASP 269 Ca 0.02 -2.78 0.35 0.00 0.43 0.00 0.00 52.55 50.57 1a27 s ASP 269 Cb 0.07 -1.07 2.02 0.00 -0.30 0.00 0.00 42.92 43.65 1a27 s ASP 269 CO 0.28 -0.24 2.24 -0.65 -0.17 0.00 0.00 175.17 176.63 1a27 h PRO 270 N 6.53 0.00 0.00 4.34 0.11 -1.67 -0.08 132.00 141.23 1a27 h PRO 270 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1a27 h PRO 270 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1a27 h PRO 270 CO 0.50 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.95 1a27 h SER 271 N 0.00 0.00 -0.06 -2.05 4.64 -1.91 -3.46 113.55 110.72 1a27 h SER 271 Ca 0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1a27 h SER 271 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1a27 h SER 271 CO -0.00 0.00 -0.02 0.61 -0.87 0.00 0.00 176.83 176.55 1a27 n GLY 272 N -0.39 0.40 0.06 -0.77 0.00 -0.04 -4.91 105.19 99.54 1a27 n GLY 272 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 1a27 n GLY 272 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a27 h SER 273 N 0.00 0.01 -0.06 1.61 4.64 -1.89 -3.15 113.55 114.71 1a27 h SER 273 Ca -0.02 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1a27 h SER 273 Cb 0.43 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1a27 h SER 273 CO 0.04 1.01 0.00 0.78 -0.87 0.00 0.00 176.83 177.78 1a27 h ASN 274 N 0.00 -0.02 0.05 4.97 -0.26 -1.85 0.12 115.58 118.59 1a27 h ASN 274 Ca -0.05 0.01 0.03 0.00 -0.56 0.00 0.00 56.30 55.72 1a27 h ASN 274 Cb 1.81 0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 39.05 1a27 h ASN 274 CO 0.12 0.00 -0.27 0.22 -1.06 0.00 0.00 177.43 176.45 1a27 h TYR 275 N 0.03 -0.72 -0.47 1.19 3.20 -1.63 0.05 116.97 118.62 1a27 h TYR 275 Ca 0.03 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.99 1a27 h TYR 275 Cb 0.03 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.55 1a27 h TYR 275 CO -0.11 -0.36 0.14 0.28 -1.64 0.00 0.00 178.16 176.47 1a27 h VAL 276 N -0.44 0.81 -0.31 1.81 2.07 -1.40 0.25 116.25 119.04 1a27 h VAL 276 Ca 0.05 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1a27 h VAL 276 Cb 0.50 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1a27 h VAL 276 CO -0.20 0.05 0.15 0.74 0.02 0.00 0.00 177.57 178.34 1a27 h THR 277 N 0.30 1.16 -0.71 2.57 2.02 -0.55 -1.62 112.91 116.07 1a27 h THR 277 Ca 0.23 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1a27 h THR 277 Cb 0.26 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1a27 h THR 277 CO -0.26 0.16 0.24 0.00 0.37 0.00 0.00 175.52 176.03 1a27 h ALA 278 N 1.01 0.93 -0.25 6.16 0.00 -0.26 -2.29 119.26 124.56 1a27 h ALA 278 Ca 0.11 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1a27 h ALA 278 Cb 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1a27 h ALA 278 CO -0.01 0.60 -0.51 1.98 0.00 0.00 0.00 179.25 181.31 1a27 h MET 279 N 1.04 0.71 -0.88 0.00 -1.53 -0.48 -1.05 114.93 112.75 1a27 h MET 279 Ca 0.23 -0.42 -0.02 0.00 -3.44 0.00 0.00 59.70 56.04 1a27 h MET 279 Cb 0.28 0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.33 1a27 h MET 279 CO -0.01 1.05 0.45 1.25 0.14 0.00 0.00 176.91 179.79 1a27 h HIS 280 N 0.55 1.23 -0.44 1.39 2.76 -1.12 -1.32 115.15 118.20 1a27 h HIS 280 Ca 0.02 -0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.04 1a27 h HIS 280 Cb 1.07 -0.39 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 1a27 h HIS 280 CO 0.05 0.87 -0.14 -0.09 -1.30 0.00 0.00 177.93 177.32 1a27 h ARG 281 N 1.24 0.87 -0.49 5.26 2.43 -1.29 -1.32 114.38 121.08 1a27 h ARG 281 Ca 0.30 -0.35 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1a27 h ARG 281 Cb 0.07 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1a27 h ARG 281 CO -0.04 0.99 0.01 1.49 -1.51 0.00 0.00 179.97 180.90 1a27 h GLU 282 N 0.70 0.82 0.03 0.20 4.57 -0.85 -2.15 114.58 117.91 1a27 h GLU 282 Ca 0.11 -0.22 -0.09 0.00 -1.18 0.00 0.00 59.36 57.97 1a27 h GLU 282 Cb 0.69 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1a27 h GLU 282 CO 0.05 0.82 -0.46 0.28 -1.18 0.00 0.00 179.01 178.52 1a27 h VAL 283 N 0.76 1.55 0.00 0.32 2.07 -1.16 -3.41 116.25 116.39 1a27 h VAL 283 Ca 0.15 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1a27 h VAL 283 Cb 0.45 3.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1a27 h VAL 283 CO 0.02 0.59 -1.71 0.49 0.02 0.00 0.00 177.57 176.98 1a27 n PHE 284 N -4.44 0.00 0.00 1.57 3.72 -0.51 -4.71 117.46 113.10 1a27 n PHE 284 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1a27 n PHE 284 Cb 0.61 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 1a27 n PHE 284 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12