#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dg9 s THR 8 N 0.00 2.30 -0.20 3.45 2.01 -1.26 -4.78 115.64 117.16 3dg9 s THR 8 Ca 0.00 0.16 -0.07 0.00 0.31 0.00 0.00 61.69 62.09 3dg9 s THR 8 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 3dg9 s THR 8 CO 0.00 0.01 0.05 -0.63 -0.69 0.00 0.00 174.62 173.36 3dg9 s ILE 9 N 1.46 4.57 -0.11 1.82 1.01 -0.80 -0.68 121.20 128.47 3dg9 s ILE 9 Ca 0.74 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 61.21 3dg9 s ILE 9 Cb -0.47 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 3dg9 s ILE 9 CO 0.32 0.43 0.17 -0.83 0.00 0.00 0.00 174.94 175.03 3dg9 s GLY 10 N 0.71 2.19 -0.09 6.18 0.00 0.14 -1.38 107.32 115.06 3dg9 s GLY 10 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.16 3dg9 s GLY 10 CO 0.02 -0.31 -0.08 1.06 0.00 0.00 0.00 173.10 173.78 3dg9 s MET 11 N -1.01 1.46 -0.26 2.90 -1.94 -0.09 -0.79 119.30 119.57 3dg9 s MET 11 Ca 0.16 -0.26 -0.23 0.00 -1.71 0.00 0.00 55.69 53.64 3dg9 s MET 11 Cb -0.12 -1.44 -0.01 0.00 2.01 0.00 0.00 34.83 35.26 3dg9 s MET 11 CO 0.05 -0.18 0.77 0.42 -0.01 0.00 0.00 175.02 176.07 3dg9 s ILE 12 N 1.38 4.86 0.13 2.53 1.01 -0.19 -1.24 121.20 129.69 3dg9 s ILE 12 Ca -0.01 1.38 0.09 0.00 0.00 0.00 0.00 60.65 62.10 3dg9 s ILE 12 Cb -0.14 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 3dg9 s ILE 12 CO -0.04 -0.08 -0.16 0.68 0.00 0.00 0.00 174.94 175.34 3dg9 s VAL 13 N 2.78 2.98 0.16 2.92 -7.23 -0.22 -0.24 120.40 121.55 3dg9 s VAL 13 Ca 0.32 -1.50 -0.13 0.00 -1.81 0.00 0.00 61.98 58.86 3dg9 s VAL 13 Cb -0.15 -2.39 0.05 0.00 0.56 0.00 0.00 36.38 34.45 3dg9 s VAL 13 CO 0.09 0.07 1.72 -0.65 -0.31 0.00 0.00 175.10 176.01 3dg9 h PRO 14 N 3.58 0.77 -7.09 4.82 0.11 -1.87 -0.44 132.00 131.88 3dg9 h PRO 14 Ca -0.49 -0.13 -0.49 0.00 0.11 0.00 0.00 66.00 64.99 3dg9 h PRO 14 Cb 1.17 -0.13 0.06 0.00 0.11 0.00 0.00 31.00 32.22 3dg9 h PRO 14 CO 0.48 0.67 0.42 -2.14 -0.21 0.00 0.00 178.00 177.22 3dg9 s PRO 15 N -5.59 3.44 0.42 1.05 0.02 -1.26 -0.81 135.00 132.27 3dg9 s PRO 15 Ca -0.13 1.53 0.17 0.00 0.02 0.00 0.00 61.00 62.59 3dg9 s PRO 15 Cb 0.12 -2.03 1.07 0.00 0.02 0.00 0.00 34.50 33.68 3dg9 s PRO 15 CO 0.78 -0.76 1.89 0.00 -0.33 0.00 0.00 177.00 178.57 3dg9 h ALA 16 N 1.23 2.16 0.00 -1.55 0.00 -1.85 -2.17 119.26 117.08 3dg9 h ALA 16 Ca -0.50 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3dg9 h ALA 16 Cb 1.25 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3dg9 h ALA 16 CO 0.57 -0.41 -0.13 0.00 0.00 0.00 0.00 179.25 179.29 3dg9 h ALA 17 N 1.63 1.67 -4.73 0.00 0.00 -1.91 -3.42 119.26 112.50 3dg9 h ALA 17 Ca 0.42 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.91 3dg9 h ALA 17 Cb 1.01 -0.02 0.11 0.00 0.00 0.00 0.00 17.79 18.89 3dg9 h ALA 17 CO -0.15 0.16 -0.53 0.41 0.00 0.00 0.00 179.25 179.15 3dg9 n GLY 18 N -1.08 -0.20 3.81 0.00 0.00 -0.82 -4.80 105.19 102.11 3dg9 n GLY 18 Ca -0.02 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3dg9 n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dg9 s LEU 19 N -5.82 4.21 0.21 0.99 1.43 -1.26 -4.29 118.68 114.15 3dg9 s LEU 19 Ca 0.42 1.56 -0.31 0.00 -1.03 0.00 0.00 54.13 54.78 3dg9 s LEU 19 Cb -0.19 -3.99 -0.11 0.00 0.03 0.00 0.00 46.19 41.93 3dg9 s LEU 19 CO 0.56 -0.12 1.57 -0.69 0.23 0.00 0.00 176.35 177.90 3dg9 s VAL 20 N -1.77 2.44 0.44 -1.59 1.01 -1.26 -4.88 120.40 114.79 3dg9 s VAL 20 Ca 0.51 0.33 -0.25 0.00 0.00 0.00 0.00 61.98 62.57 3dg9 s VAL 20 Cb -0.14 -3.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.93 3dg9 s VAL 20 CO 0.19 0.04 1.32 -2.65 0.00 0.00 0.00 175.10 174.00 3dg9 n PRO 21 N 3.33 2.00 0.30 2.72 -0.02 -1.26 -4.85 135.00 137.22 3dg9 n PRO 21 Ca 0.12 0.71 0.16 0.00 -2.02 0.00 0.00 63.50 62.47 3dg9 n PRO 21 Cb 0.38 -2.46 0.93 0.00 -0.02 0.00 0.00 33.50 32.34 3dg9 n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dg9 h ALA 22 N 2.10 1.39 0.00 3.55 0.00 -1.96 -2.73 119.26 121.61 3dg9 h ALA 22 Ca -0.49 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 3dg9 h ALA 22 Cb 1.29 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3dg9 h ALA 22 CO 0.60 0.03 -0.19 -0.44 0.00 0.00 0.00 179.25 179.25 3dg9 h ASP 23 N 0.00 0.00 -0.61 0.00 3.32 -1.97 -3.16 116.42 114.00 3dg9 h ASP 23 Ca -0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 3dg9 h ASP 23 Cb 0.06 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 3dg9 h ASP 23 CO 0.00 0.19 0.31 1.23 -1.72 0.00 0.00 179.24 179.25 3dg9 h GLY 24 N 1.28 0.87 2.00 2.75 0.00 -1.85 0.10 103.07 108.22 3dg9 h GLY 24 Ca -0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3dg9 h GLY 24 CO 0.02 0.11 -0.22 0.00 0.00 0.00 0.00 176.54 176.46 3dg9 h ALA 25 N 1.34 1.06 0.11 3.60 0.00 -1.79 0.36 119.26 123.93 3dg9 h ALA 25 Ca 0.28 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.71 3dg9 h ALA 25 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3dg9 h ALA 25 CO -0.20 0.27 -1.47 0.00 0.00 0.00 0.00 179.25 177.85 3dg9 h ARG 26 N 0.00 0.22 -0.04 0.00 3.08 -1.47 -3.24 114.38 112.93 3dg9 h ARG 26 Ca -0.00 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.64 3dg9 h ARG 26 Cb 0.69 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3dg9 h ARG 26 CO 0.03 1.18 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.95 3dg9 h LEU 27 N -0.32 0.15 -6.00 3.04 3.38 -0.98 -3.41 115.31 111.18 3dg9 h LEU 27 Ca -0.32 -0.58 -0.57 0.00 0.09 0.00 0.00 57.88 56.49 3dg9 h LEU 27 Cb 1.75 -0.04 -0.41 0.00 0.09 0.00 0.00 40.66 42.05 3dg9 h LEU 27 CO 0.04 0.71 -0.86 -1.22 0.09 0.00 0.00 178.44 177.19 3dg9 n TYR 28 N -4.68 1.77 0.26 1.13 4.01 0.11 -1.51 117.16 118.25 3dg9 n TYR 28 Ca -0.08 -3.87 0.13 0.00 -0.16 0.00 0.00 57.90 53.92 3dg9 n TYR 28 Cb 0.35 -0.46 0.80 0.00 -0.31 0.00 0.00 39.34 39.73 3dg9 n TYR 28 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3dg9 h PRO 29 N 3.85 0.00 -0.10 -0.72 0.11 -1.67 -2.28 132.00 131.20 3dg9 h PRO 29 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3dg9 h PRO 29 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3dg9 h PRO 29 CO 0.65 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 3dg9 n ASP 30 N -4.10 1.80 -4.75 -2.05 8.00 -1.26 -4.93 116.55 109.25 3dg9 n ASP 30 Ca -0.02 -1.65 -0.34 0.00 0.71 0.00 0.00 54.79 53.49 3dg9 n ASP 30 Cb 0.13 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 3dg9 n ASP 30 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dg9 s LEU 31 N -1.80 3.83 -0.18 0.64 1.02 -0.86 -5.09 118.68 116.24 3dg9 s LEU 31 Ca 0.35 0.18 -0.24 0.00 0.02 0.00 0.00 54.13 54.44 3dg9 s LEU 31 Cb 0.20 -2.06 -0.02 0.00 0.02 0.00 0.00 46.19 44.33 3dg9 s LEU 31 CO 0.30 0.33 0.78 -2.16 0.02 0.00 0.00 176.35 175.62 3dg9 s PRO 32 N -1.32 4.26 0.08 1.29 0.04 -1.26 -4.99 135.00 133.11 3dg9 s PRO 32 Ca 0.18 0.90 0.08 0.00 0.04 0.00 0.00 61.00 62.20 3dg9 s PRO 32 Cb -0.12 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 3dg9 s PRO 32 CO 0.08 -0.33 -0.20 -0.06 0.04 0.00 0.00 177.00 176.53 3dg9 s PHE 33 N 2.16 1.75 0.11 0.56 0.08 -1.26 -1.91 117.98 119.46 3dg9 s PHE 33 Ca 0.35 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 57.03 3dg9 s PHE 33 Cb -0.16 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 3dg9 s PHE 33 CO 0.11 0.16 -0.09 0.96 -0.10 0.00 0.00 175.22 176.26 3dg9 s ILE 34 N -1.06 0.93 0.07 0.64 -4.36 -0.48 -4.94 121.20 111.99 3dg9 s ILE 34 Ca 0.06 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 3dg9 s ILE 34 Cb -0.10 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 3dg9 s ILE 34 CO 0.03 -0.67 -0.05 0.00 0.24 0.00 0.00 174.94 174.50 3dg9 s ALA 35 N -2.87 0.69 -0.04 2.27 0.00 -1.26 -0.92 121.76 119.63 3dg9 s ALA 35 Ca 0.09 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 50.80 3dg9 s ALA 35 Cb -0.00 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3dg9 s ALA 35 CO -0.01 -0.30 0.09 0.45 0.00 0.00 0.00 175.76 175.99 3dg9 s SER 36 N -2.89 -0.04 -0.18 0.00 0.15 -0.37 -4.89 113.70 105.49 3dg9 s SER 36 Ca 0.08 0.17 -0.09 0.00 0.70 0.00 0.00 55.95 56.81 3dg9 s SER 36 Cb 0.06 0.09 -0.05 0.00 -1.71 0.00 0.00 66.02 64.41 3dg9 s SER 36 CO -0.07 -0.11 0.12 -0.83 1.20 0.00 0.00 173.24 173.55 3dg9 s GLY 37 N 0.89 2.05 0.17 9.45 0.00 -1.26 -1.06 107.32 117.56 3dg9 s GLY 37 Ca -0.07 -0.69 0.09 0.00 0.00 0.00 0.00 44.72 44.05 3dg9 s GLY 37 CO -0.04 0.01 1.38 1.41 0.00 0.00 0.00 173.10 175.87 3dg9 h LEU 38 N 6.29 0.00 -0.32 0.66 3.38 -1.06 -3.44 115.31 120.81 3dg9 h LEU 38 Ca -0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3dg9 h LEU 38 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3dg9 h LEU 38 CO 0.71 0.86 -0.01 0.61 0.09 0.00 0.00 178.44 180.70 3dg9 n GLY 39 N 1.05 0.56 3.66 0.83 0.00 0.01 -4.84 105.19 106.46 3dg9 n GLY 39 Ca -0.00 -0.80 -0.45 0.00 0.00 0.00 0.00 46.02 44.77 3dg9 n GLY 39 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dg9 n LEU 40 N -0.24 3.01 0.01 0.99 7.94 -0.19 -4.77 117.00 123.75 3dg9 n LEU 40 Ca -0.00 1.14 0.02 0.00 -1.11 0.00 0.00 56.01 56.06 3dg9 n LEU 40 Cb 0.50 -1.41 -0.10 0.00 0.53 0.00 0.00 43.42 42.93 3dg9 n LEU 40 CO 0.01 -0.54 -0.50 0.61 -1.11 0.00 0.00 177.39 175.86 3dg9 n GLY 41 N 2.13 -1.16 3.49 -3.96 0.00 -1.26 -4.75 105.19 99.68 3dg9 n GLY 41 Ca 0.12 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 3dg9 n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dg9 s SER 42 N -5.42 -0.56 -1.28 1.61 1.04 -1.26 -4.70 113.70 103.13 3dg9 s SER 42 Ca -0.05 0.34 -0.09 0.00 0.48 0.00 0.00 55.95 56.63 3dg9 s SER 42 Cb 0.09 0.52 0.17 0.00 0.10 0.00 0.00 66.02 66.90 3dg9 s SER 42 CO 0.83 -0.71 1.88 0.52 0.98 0.00 0.00 173.24 176.74 3dg9 n VAL 43 N 0.29 4.41 -3.81 5.02 0.31 0.50 -4.37 118.33 120.67 3dg9 n VAL 43 Ca -0.16 -4.45 -0.10 0.00 -0.01 0.00 0.00 64.34 59.62 3dg9 n VAL 43 Cb 0.61 -2.34 -0.07 0.00 -0.91 0.00 0.00 33.84 31.12 3dg9 n VAL 43 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3dg9 s THR 44 N 0.22 0.12 0.40 2.52 -4.23 -1.26 -4.74 115.64 108.66 3dg9 s THR 44 Ca 0.40 -0.98 0.11 0.00 -1.18 0.00 0.00 61.69 60.04 3dg9 s THR 44 Cb 0.10 -1.17 0.32 0.00 1.34 0.00 0.00 72.50 73.08 3dg9 s THR 44 CO 0.01 -0.54 1.96 -0.65 -0.54 0.00 0.00 174.62 174.86 3dg9 h PRO 45 N 2.93 0.54 -0.66 3.99 0.11 -1.99 0.39 132.00 137.30 3dg9 h PRO 45 Ca -0.33 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 3dg9 h PRO 45 Cb 1.20 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3dg9 h PRO 45 CO 0.52 0.35 0.24 0.93 -0.21 0.00 0.00 178.00 179.83 3dg9 h GLU 46 N 0.55 1.01 -0.39 1.05 3.07 -1.97 -1.20 114.58 116.71 3dg9 h GLU 46 Ca 0.30 -0.20 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3dg9 h GLU 46 Cb 0.46 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 3dg9 h GLU 46 CO -0.10 0.86 0.24 0.78 -1.40 0.00 0.00 179.01 179.40 3dg9 h GLY 47 N 0.95 0.55 0.97 -3.84 0.00 -1.34 -3.04 103.07 97.32 3dg9 h GLY 47 Ca 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3dg9 h GLY 47 CO -0.01 0.22 0.20 -0.97 0.00 0.00 0.00 176.54 175.98 3dg9 h TYR 48 N 0.51 0.75 -0.49 5.60 0.05 -0.49 -2.49 116.97 120.41 3dg9 h TYR 48 Ca 0.14 -0.05 0.10 0.00 0.05 0.00 0.00 58.73 58.97 3dg9 h TYR 48 Cb -0.02 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.47 3dg9 h TYR 48 CO -0.04 0.62 0.34 -0.44 -1.05 0.00 0.00 178.16 177.59 3dg9 h ASP 49 N 0.66 0.18 1.38 3.88 3.32 -1.13 0.06 116.42 124.77 3dg9 h ASP 49 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3dg9 h ASP 49 Cb 0.18 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3dg9 h ASP 49 CO -0.01 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 3dg9 h ALA 50 N 1.76 1.00 0.00 3.45 0.00 -1.35 -3.31 119.26 120.80 3dg9 h ALA 50 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3dg9 h ALA 50 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3dg9 h ALA 50 CO -0.04 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.54 3dg9 n VAL 51 N -2.62 0.00 0.20 0.00 0.24 -0.64 -4.82 118.33 110.69 3dg9 n VAL 51 Ca 0.04 -0.45 0.04 0.00 -2.04 0.00 0.00 64.34 61.92 3dg9 n VAL 51 Cb 0.39 1.01 0.44 0.00 -1.47 0.00 0.00 33.84 34.22 3dg9 n VAL 51 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 3dg9 h ILE 52 N 0.01 1.18 0.00 1.34 6.09 -1.11 -1.22 117.51 123.79 3dg9 h ILE 52 Ca 0.00 -0.86 0.00 0.00 -1.37 0.00 0.00 64.86 62.63 3dg9 h ILE 52 Cb 0.01 1.45 0.00 0.00 0.47 0.00 0.00 36.82 38.75 3dg9 h ILE 52 CO 0.00 0.25 0.00 -0.62 -3.07 0.00 0.00 178.15 174.71 3dg9 n GLU 53 N -4.24 0.05 0.00 2.19 1.02 -1.26 -2.53 120.64 115.87 3dg9 n GLU 53 Ca -0.02 0.18 0.13 0.00 -0.02 0.00 0.00 57.16 57.42 3dg9 n GLU 53 Cb 0.30 -1.58 0.28 0.00 -0.02 0.00 0.00 31.44 30.42 3dg9 n GLU 53 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3dg9 n SER 54 N -1.68 1.49 -0.17 1.62 3.41 -0.46 -4.48 113.62 113.35 3dg9 n SER 54 Ca 0.05 -1.21 -0.04 0.00 -0.26 0.00 0.00 58.87 57.41 3dg9 n SER 54 Cb 0.27 0.20 0.06 0.00 -0.26 0.00 0.00 64.21 64.48 3dg9 n SER 54 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3dg9 h VAL 55 N 1.92 0.90 -0.65 -3.33 2.07 -1.58 -1.27 116.25 114.31 3dg9 h VAL 55 Ca 0.00 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.43 3dg9 h VAL 55 Cb 0.61 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 3dg9 h VAL 55 CO 0.00 0.08 0.36 0.58 0.02 0.00 0.00 177.57 178.61 3dg9 h VAL 56 N 0.45 0.96 -0.73 2.57 2.07 -1.83 -0.68 116.25 119.06 3dg9 h VAL 56 Ca 0.24 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 3dg9 h VAL 56 Cb 0.19 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 3dg9 h VAL 56 CO -0.20 0.12 0.35 0.44 0.02 0.00 0.00 177.57 178.31 3dg9 h ASP 57 N 0.66 0.94 -0.00 0.57 3.32 -1.67 -1.90 116.42 118.34 3dg9 h ASP 57 Ca 0.29 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 57.09 3dg9 h ASP 57 Cb 0.19 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3dg9 h ASP 57 CO -0.19 0.80 -0.49 0.45 -1.72 0.00 0.00 179.24 178.09 3dg9 h HIS 58 N 1.04 0.69 -0.42 4.55 3.86 -0.70 -0.19 115.15 123.98 3dg9 h HIS 58 Ca 0.25 -0.23 0.06 0.00 -1.16 0.00 0.00 60.37 59.29 3dg9 h HIS 58 Cb 0.10 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.39 3dg9 h HIS 58 CO 0.01 0.95 0.13 0.00 0.86 0.00 0.00 177.93 179.88 3dg9 h ALA 59 N 1.01 0.49 -0.60 2.45 0.00 -0.78 -1.43 119.26 120.40 3dg9 h ALA 59 Ca 0.02 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3dg9 h ALA 59 Cb 1.02 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3dg9 h ALA 59 CO 0.09 -0.26 0.15 0.00 0.00 0.00 0.00 179.25 179.23 3dg9 h ARG 60 N 0.29 0.94 -0.84 0.00 3.08 -1.04 -0.85 114.38 115.95 3dg9 h ARG 60 Ca 0.20 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 60.05 3dg9 h ARG 60 Cb 0.20 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3dg9 h ARG 60 CO -0.22 0.83 0.56 0.00 -1.07 0.00 0.00 179.97 180.08 3dg9 h ARG 61 N 0.90 1.11 -0.28 0.04 3.08 -0.60 -0.84 114.38 117.79 3dg9 h ARG 61 Ca 0.19 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 3dg9 h ARG 61 Cb 0.32 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3dg9 h ARG 61 CO -0.00 0.74 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.31 3dg9 h LEU 62 N 1.15 0.71 -0.77 3.04 3.38 -0.97 -2.46 115.31 119.38 3dg9 h LEU 62 Ca 0.31 -0.46 0.10 0.00 0.09 0.00 0.00 57.88 57.91 3dg9 h LEU 62 Cb -0.13 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.35 3dg9 h LEU 62 CO -0.07 1.03 0.42 -0.61 0.09 0.00 0.00 178.44 179.30 3dg9 h GLN 63 N 0.41 0.67 0.00 1.13 4.15 -0.89 -1.02 115.11 119.56 3dg9 h GLN 63 Ca 0.05 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3dg9 h GLN 63 Cb 0.82 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.35 3dg9 h GLN 63 CO 0.06 0.45 0.00 0.87 -1.93 0.00 0.00 178.83 178.28 3dg9 h LYS 64 N 0.69 0.00 -0.06 1.69 1.57 -0.86 -1.35 116.57 118.26 3dg9 h LYS 64 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3dg9 h LYS 64 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3dg9 h LYS 64 CO -0.26 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.66 3dg9 n GLN 65 N -2.78 1.80 0.00 3.15 6.02 -0.73 -4.95 117.38 119.88 3dg9 n GLN 65 Ca 0.01 -1.16 0.00 0.00 -0.01 0.00 0.00 57.00 55.83 3dg9 n GLN 65 Cb 0.26 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.06 3dg9 n GLN 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dg9 n GLY 66 N 1.20 1.10 3.77 1.08 0.00 -0.51 -5.08 105.19 106.75 3dg9 n GLY 66 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3dg9 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dg9 s ALA 67 N -2.00 3.20 -0.10 4.61 0.00 -0.47 -4.64 121.76 122.36 3dg9 s ALA 67 Ca 0.00 1.18 0.20 0.00 0.00 0.00 0.00 51.96 53.34 3dg9 s ALA 67 Cb 0.00 -3.47 -0.30 0.00 0.00 0.00 0.00 23.12 19.35 3dg9 s ALA 67 CO 0.00 -0.81 0.34 0.00 0.00 0.00 0.00 175.76 175.30 3dg9 n ALA 68 N 0.01 2.31 -2.51 0.00 0.00 0.14 -4.61 120.51 115.85 3dg9 n ALA 68 Ca 0.04 -0.82 -0.08 0.00 0.00 0.00 0.00 53.44 52.58 3dg9 n ALA 68 Cb 0.44 -0.55 -0.10 0.00 0.00 0.00 0.00 19.45 19.25 3dg9 n ALA 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3dg9 s VAL 69 N -3.13 0.16 -0.07 0.00 -7.23 -1.23 -4.27 120.40 104.64 3dg9 s VAL 69 Ca -0.09 -1.34 0.02 0.00 -1.81 0.00 0.00 61.98 58.77 3dg9 s VAL 69 Cb 0.11 -1.09 0.01 0.00 0.56 0.00 0.00 36.38 35.97 3dg9 s VAL 69 CO 0.88 -0.74 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.12 3dg9 s VAL 70 N -3.08 1.14 -0.11 1.32 1.01 -0.79 -0.69 120.40 119.21 3dg9 s VAL 70 Ca -0.01 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3dg9 s VAL 70 Cb 0.02 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3dg9 s VAL 70 CO -0.07 0.36 -0.15 -0.55 0.00 0.00 0.00 175.10 174.69 3dg9 s SER 71 N 0.69 3.90 -0.71 3.32 0.15 0.03 -1.10 113.70 119.98 3dg9 s SER 71 Ca -0.14 -0.33 -0.27 0.00 0.70 0.00 0.00 55.95 55.91 3dg9 s SER 71 Cb -0.16 -1.42 0.03 0.00 -1.71 0.00 0.00 66.02 62.76 3dg9 s SER 71 CO 0.03 0.20 1.29 -0.22 1.20 0.00 0.00 173.24 175.75 3dg9 s LEU 72 N 0.12 3.21 -1.04 3.45 2.96 -0.43 -1.02 118.68 125.93 3dg9 s LEU 72 Ca -0.07 -0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 53.46 3dg9 s LEU 72 Cb -0.15 -2.66 0.02 0.00 0.50 0.00 0.00 46.19 43.90 3dg9 s LEU 72 CO 0.05 -1.80 2.74 0.23 -1.32 0.00 0.00 176.35 176.24 3dg9 n MET 73 N 9.22 3.63 -3.67 1.98 2.81 0.67 -0.46 117.12 131.30 3dg9 n MET 73 Ca 0.05 -2.67 -0.15 0.00 -1.81 0.00 0.00 57.70 53.11 3dg9 n MET 73 Cb 0.49 -2.49 -0.14 0.00 -0.71 0.00 0.00 33.22 30.37 3dg9 n MET 73 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3dg9 s GLY 74 N 0.93 -0.03 -0.01 3.03 0.00 -1.26 -4.46 107.32 105.51 3dg9 s GLY 74 Ca 0.60 0.74 -0.23 0.00 0.00 0.00 0.00 44.72 45.84 3dg9 s GLY 74 CO -0.11 1.75 1.02 -0.84 0.00 0.00 0.00 173.10 174.92 3dg9 h THR 75 N 6.30 0.49 -0.21 0.90 2.02 -1.87 -3.07 112.91 117.46 3dg9 h THR 75 Ca -0.16 -0.67 -0.10 0.00 0.77 0.00 0.00 66.41 66.25 3dg9 h THR 75 Cb 1.12 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3dg9 h THR 75 CO 0.16 0.10 -0.29 0.77 0.37 0.00 0.00 175.52 176.63 3dg9 h SER 76 N -0.93 0.42 -0.25 4.18 4.64 -1.97 -0.55 113.55 119.09 3dg9 h SER 76 Ca -0.05 -0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.15 3dg9 h SER 76 Cb 0.53 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3dg9 h SER 76 CO 0.08 0.70 0.17 -0.07 -0.87 0.00 0.00 176.83 176.84 3dg9 h LEU 77 N 0.36 0.21 0.00 5.97 3.38 -2.00 -1.37 115.31 121.87 3dg9 h LEU 77 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dg9 h LEU 77 Cb 0.70 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3dg9 h LEU 77 CO 0.05 0.15 -1.33 -1.54 0.09 0.00 0.00 178.44 175.86 3dg9 n SER 78 N -4.50 0.50 -0.00 -0.43 3.41 -0.54 -4.44 113.62 107.62 3dg9 n SER 78 Ca 0.02 -0.05 0.07 0.00 -0.26 0.00 0.00 58.87 58.65 3dg9 n SER 78 Cb 0.15 1.10 -0.09 0.00 -0.26 0.00 0.00 64.21 65.11 3dg9 n SER 78 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3dg9 n PHE 79 N -2.22 0.00 0.30 7.33 1.16 -0.33 -3.77 117.46 119.94 3dg9 n PHE 79 Ca -0.00 0.00 0.18 0.00 -1.87 0.00 0.00 57.45 55.76 3dg9 n PHE 79 Cb 0.50 -0.05 0.85 0.00 -1.61 0.00 0.00 39.48 39.18 3dg9 n PHE 79 CO 0.00 0.00 0.00 0.10 -1.87 0.00 0.00 176.76 174.99 3dg9 h TYR 80 N 0.00 0.00 -0.22 2.97 -0.00 -1.47 -0.75 116.97 117.50 3dg9 h TYR 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3dg9 h TYR 80 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.12 3dg9 h TYR 80 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 178.16 178.70 3dg9 n ARG 81 N -2.88 1.94 0.00 0.10 1.74 -1.26 -4.97 116.66 111.33 3dg9 n ARG 81 Ca -0.01 -1.85 0.00 0.00 -0.77 0.00 0.00 57.85 55.22 3dg9 n ARG 81 Cb 0.18 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3dg9 n ARG 81 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dg9 n GLY 82 N 1.02 0.69 0.24 -0.13 0.00 -0.29 -4.57 105.19 102.16 3dg9 n GLY 82 Ca 0.13 -2.10 -0.07 0.00 0.00 0.00 0.00 46.02 43.98 3dg9 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dg9 h ALA 83 N 0.00 0.90 -0.49 4.61 0.00 -1.86 -2.87 119.26 119.55 3dg9 h ALA 83 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3dg9 h ALA 83 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3dg9 h ALA 83 CO 0.00 0.62 0.02 0.00 0.00 0.00 0.00 179.25 179.89 3dg9 h ALA 84 N 1.12 1.12 -0.33 0.00 0.00 -1.97 -2.34 119.26 116.86 3dg9 h ALA 84 Ca 0.06 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3dg9 h ALA 84 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3dg9 h ALA 84 CO 0.07 0.57 -0.31 0.35 0.00 0.00 0.00 179.25 179.92 3dg9 h PHE 85 N 0.75 0.83 -0.51 0.00 3.57 -1.77 0.42 116.94 120.23 3dg9 h PHE 85 Ca 0.15 -0.21 0.03 0.00 3.53 0.00 0.00 57.97 61.46 3dg9 h PHE 85 Cb 0.43 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 3dg9 h PHE 85 CO 0.02 0.94 0.30 -0.97 -2.23 0.00 0.00 178.31 176.37 3dg9 h ASN 86 N 0.60 0.48 -0.37 0.41 -1.24 -1.27 0.37 115.58 114.56 3dg9 h ASN 86 Ca 0.07 0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.05 3dg9 h ASN 86 Cb 0.83 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.77 3dg9 h ASN 86 CO 0.07 0.34 0.09 0.00 -1.29 0.00 0.00 177.43 176.64 3dg9 h ALA 87 N 1.23 0.49 -0.39 1.57 0.00 -1.11 -2.46 119.26 118.60 3dg9 h ALA 87 Ca 0.21 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3dg9 h ALA 87 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3dg9 h ALA 87 CO -0.10 0.16 -0.18 0.00 0.00 0.00 0.00 179.25 179.13 3dg9 h ALA 88 N 0.94 0.96 -0.51 0.00 0.00 -0.52 -1.36 119.26 118.76 3dg9 h ALA 88 Ca 0.12 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 3dg9 h ALA 88 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3dg9 h ALA 88 CO 0.00 0.61 -0.16 1.25 0.00 0.00 0.00 179.25 180.95 3dg9 h LEU 89 N 0.65 1.02 -0.22 0.00 5.85 -0.94 -0.81 115.31 120.86 3dg9 h LEU 89 Ca 0.10 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3dg9 h LEU 89 Cb 0.66 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3dg9 h LEU 89 CO 0.05 1.16 0.11 0.74 -0.34 0.00 0.00 178.44 180.15 3dg9 h THR 90 N 0.88 1.00 -0.63 1.05 2.02 -1.01 -1.52 112.91 114.70 3dg9 h THR 90 Ca 0.13 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.26 3dg9 h THR 90 Cb 0.73 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 3dg9 h THR 90 CO 0.06 0.04 0.38 0.58 0.37 0.00 0.00 175.52 176.95 3dg9 h VAL 91 N 0.23 1.06 -0.98 3.16 2.07 -1.05 -0.88 116.25 119.85 3dg9 h VAL 91 Ca 0.09 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.38 3dg9 h VAL 91 Cb 0.02 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 3dg9 h VAL 91 CO -0.06 0.14 0.64 0.00 0.02 0.00 0.00 177.57 178.31 3dg9 h ALA 92 N 1.28 1.28 -0.44 1.67 0.00 -0.78 0.51 119.26 122.78 3dg9 h ALA 92 Ca 0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3dg9 h ALA 92 Cb 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3dg9 h ALA 92 CO -0.12 0.56 0.05 0.52 0.00 0.00 0.00 179.25 180.27 3dg9 h MET 93 N 1.27 0.75 -0.61 0.00 2.86 -0.82 -1.87 114.93 116.50 3dg9 h MET 93 Ca 0.38 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 3dg9 h MET 93 Cb -0.05 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3dg9 h MET 93 CO -0.11 0.79 0.29 -0.09 1.06 0.00 0.00 176.91 178.85 3dg9 h ARG 94 N 0.61 0.88 -0.15 1.72 2.43 -0.62 -2.28 114.38 116.96 3dg9 h ARG 94 Ca 0.13 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 3dg9 h ARG 94 Cb 0.41 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3dg9 h ARG 94 CO 0.01 0.71 -0.38 0.93 -1.51 0.00 0.00 179.97 179.72 3dg9 h GLU 95 N 0.83 0.31 0.00 0.20 5.08 -0.78 0.12 114.58 120.35 3dg9 h GLU 95 Ca 0.21 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 3dg9 h GLU 95 Cb 0.12 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3dg9 h GLU 95 CO -0.03 0.66 -0.73 0.00 -1.00 0.00 0.00 179.01 177.91 3dg9 h ALA 96 N 1.33 0.77 0.00 3.43 0.00 -1.15 -3.37 119.26 120.27 3dg9 h ALA 96 Ca 0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 3dg9 h ALA 96 Cb 0.80 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3dg9 h ALA 96 CO 0.06 0.91 -1.27 0.25 0.00 0.00 0.00 179.25 179.21 3dg9 n THR 97 N -3.64 0.10 -1.15 0.00 -2.24 -0.88 -4.92 114.28 101.56 3dg9 n THR 97 Ca -0.01 -0.15 -0.05 0.00 -2.27 0.00 0.00 64.05 61.58 3dg9 n THR 97 Cb 0.72 0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 3dg9 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dg9 n GLY 98 N 2.35 0.66 3.81 3.38 0.00 0.41 -5.02 105.19 110.77 3dg9 n GLY 98 Ca -0.03 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 3dg9 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dg9 s LEU 99 N -1.16 3.86 0.24 0.99 1.43 -1.25 -5.08 118.68 117.71 3dg9 s LEU 99 Ca 0.00 -0.08 -0.31 0.00 -1.03 0.00 0.00 54.13 52.71 3dg9 s LEU 99 Cb 0.00 -2.48 -0.12 0.00 0.03 0.00 0.00 46.19 43.62 3dg9 s LEU 99 CO 0.00 0.08 1.69 -2.84 0.23 0.00 0.00 176.35 175.51 3dg9 s PRO 100 N -3.00 4.12 0.12 1.29 0.02 -1.26 -4.46 135.00 131.83 3dg9 s PRO 100 Ca 0.31 2.61 0.05 0.00 0.02 0.00 0.00 61.00 63.99 3dg9 s PRO 100 Cb -0.11 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 3dg9 s PRO 100 CO 0.24 -0.72 -0.12 0.00 -0.33 0.00 0.00 177.00 176.06 3dg9 s THR 102 N -2.38 0.00 0.17 0.00 -1.32 -0.26 -4.98 115.64 106.87 3dg9 s THR 102 Ca 0.09 -1.26 0.01 0.00 -1.21 0.00 0.00 61.69 59.32 3dg9 s THR 102 Cb -0.03 -2.61 -0.05 0.00 -1.51 0.00 0.00 72.50 68.30 3dg9 s THR 102 CO 0.02 0.00 0.01 0.42 -2.21 0.00 0.00 174.62 172.86 3dg9 s THR 103 N -2.97 0.60 0.27 5.08 -4.23 -1.26 -1.31 115.64 111.82 3dg9 s THR 103 Ca 0.21 -1.97 0.17 0.00 -1.18 0.00 0.00 61.69 58.92 3dg9 s THR 103 Cb -0.03 -2.10 0.12 0.00 1.34 0.00 0.00 72.50 71.83 3dg9 s THR 103 CO 0.14 -0.48 1.79 -0.03 -0.54 0.00 0.00 174.62 175.49 3dg9 h MET 104 N 2.72 0.00 -0.43 3.99 4.05 -0.96 0.38 114.93 124.68 3dg9 h MET 104 Ca -0.36 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 58.99 3dg9 h MET 104 Cb 1.20 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.99 3dg9 h MET 104 CO 0.62 0.37 0.02 0.77 0.23 0.00 0.00 176.91 178.93 3dg9 h SER 105 N 0.00 0.72 -0.64 1.39 0.02 -1.79 -1.57 113.55 111.68 3dg9 h SER 105 Ca -0.00 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.61 3dg9 h SER 105 Cb 0.78 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 3dg9 h SER 105 CO 0.05 0.84 0.27 0.74 -1.14 0.00 0.00 176.83 177.59 3dg9 h THR 106 N 0.59 1.23 -0.32 -2.27 2.02 -1.81 -1.69 112.91 110.66 3dg9 h THR 106 Ca 0.12 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3dg9 h THR 106 Cb 0.46 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3dg9 h THR 106 CO 0.02 0.29 0.17 0.00 0.37 0.00 0.00 175.52 176.36 3dg9 h ALA 107 N 1.33 0.41 -0.19 6.16 0.00 -0.67 0.12 119.26 126.43 3dg9 h ALA 107 Ca 0.23 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3dg9 h ALA 107 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3dg9 h ALA 107 CO -0.02 -0.05 -0.50 -0.39 0.00 0.00 0.00 179.25 178.29 3dg9 h VAL 108 N 0.39 1.32 -0.18 0.00 -1.51 -1.14 0.19 116.25 115.32 3dg9 h VAL 108 Ca 0.11 -1.72 -0.00 0.00 -1.23 0.00 0.00 66.70 63.86 3dg9 h VAL 108 Cb 0.08 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 30.96 3dg9 h VAL 108 CO -0.02 0.53 0.11 0.25 -1.23 0.00 0.00 177.57 177.21 3dg9 h LEU 109 N 0.40 0.22 -1.04 4.19 5.85 -1.05 -0.65 115.31 123.23 3dg9 h LEU 109 Ca 0.02 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3dg9 h LEU 109 Cb 1.01 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 3dg9 h LEU 109 CO 0.09 0.22 0.22 0.78 -0.34 0.00 0.00 178.44 179.41 3dg9 h ASN 110 N 0.21 0.83 -0.28 1.25 2.35 -0.53 -0.84 115.58 118.58 3dg9 h ASN 110 Ca 0.07 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 3dg9 h ASN 110 Cb 0.04 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3dg9 h ASN 110 CO -0.01 0.76 -0.16 1.23 -1.65 0.00 0.00 177.43 177.60 3dg9 h GLY 111 N 1.00 0.65 0.99 2.83 0.00 -0.68 0.10 103.07 107.97 3dg9 h GLY 111 Ca 0.21 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3dg9 h GLY 111 CO -0.01 0.54 0.17 1.41 0.00 0.00 0.00 176.54 178.64 3dg9 h LEU 112 N 0.33 0.30 -0.78 3.11 3.38 -0.97 -2.16 115.31 118.53 3dg9 h LEU 112 Ca 0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3dg9 h LEU 112 Cb 0.69 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 3dg9 h LEU 112 CO 0.05 0.23 0.47 0.03 0.09 0.00 0.00 178.44 179.31 3dg9 h ARG 113 N 0.34 1.06 -0.21 1.13 3.08 -1.08 -1.17 114.38 117.53 3dg9 h ARG 113 Ca 0.09 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3dg9 h ARG 113 Cb -0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3dg9 h ARG 113 CO -0.02 0.75 0.00 0.00 -1.07 0.00 0.00 179.97 179.63 3dg9 h ALA 114 N 1.25 1.62 -0.05 0.04 0.00 -0.60 -1.93 119.26 119.58 3dg9 h ALA 114 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dg9 h ALA 114 Cb -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3dg9 h ALA 114 CO -0.05 0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.76 3dg9 n LEU 115 N -4.36 1.57 -0.50 0.00 4.77 -0.84 -4.93 117.00 112.70 3dg9 n LEU 115 Ca 0.00 -0.56 -0.07 0.00 -0.03 0.00 0.00 56.01 55.36 3dg9 n LEU 115 Cb 0.19 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3dg9 n LEU 115 CO 0.37 0.28 -0.06 0.61 -1.33 0.00 0.00 177.39 177.25 3dg9 n GLY 116 N 1.17 0.88 3.62 -0.72 0.00 -0.73 -4.99 105.19 104.42 3dg9 n GLY 116 Ca 0.18 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 3dg9 n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dg9 s VAL 117 N -2.24 4.61 -0.14 1.61 1.01 -0.47 -4.89 120.40 119.89 3dg9 s VAL 117 Ca 0.00 1.42 -0.06 0.00 0.00 0.00 0.00 61.98 63.34 3dg9 s VAL 117 Cb 0.00 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 3dg9 s VAL 117 CO 0.00 -0.44 -0.17 -1.14 0.00 0.00 0.00 175.10 173.35 3dg9 n ARG 118 N 6.66 0.30 -2.97 2.72 0.63 -1.26 -4.51 116.66 118.24 3dg9 n ARG 118 Ca 0.08 0.12 -0.42 0.00 -0.92 0.00 0.00 57.85 56.71 3dg9 n ARG 118 Cb 0.48 -1.03 -0.05 0.00 0.45 0.00 0.00 32.46 32.30 3dg9 n ARG 118 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3dg9 s ARG 119 N -2.26 3.67 -0.14 -0.14 0.52 -1.26 -0.57 118.95 118.77 3dg9 s ARG 119 Ca -0.19 0.21 0.01 0.00 -0.52 0.00 0.00 55.73 55.23 3dg9 s ARG 119 Cb 0.07 -3.84 0.02 0.00 0.52 0.00 0.00 34.95 31.72 3dg9 s ARG 119 CO 0.25 -0.90 -0.16 0.54 0.02 0.00 0.00 175.30 175.05 3dg9 s VAL 120 N 3.13 1.69 0.19 3.52 0.11 -0.43 -0.01 120.40 128.61 3dg9 s VAL 120 Ca 0.31 -0.73 -0.30 0.00 -2.93 0.00 0.00 61.98 58.33 3dg9 s VAL 120 Cb -0.13 -1.55 -0.08 0.00 -1.53 0.00 0.00 36.38 33.09 3dg9 s VAL 120 CO 0.18 0.48 0.97 0.00 -3.33 0.00 0.00 175.10 173.40 3dg9 s ALA 121 N 1.24 3.31 -0.18 1.54 0.00 -0.62 -1.10 121.76 125.95 3dg9 s ALA 121 Ca 0.00 0.63 -0.08 0.00 0.00 0.00 0.00 51.96 52.52 3dg9 s ALA 121 Cb -0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 3dg9 s ALA 121 CO -0.08 0.08 0.08 -0.51 0.00 0.00 0.00 175.76 175.33 3dg9 s LEU 122 N -0.73 3.91 -0.23 0.00 1.43 -0.23 -1.27 118.68 121.57 3dg9 s LEU 122 Ca 0.44 0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.67 3dg9 s LEU 122 Cb -0.26 -1.99 0.06 0.00 0.03 0.00 0.00 46.19 44.04 3dg9 s LEU 122 CO 0.32 0.19 -0.02 0.00 0.23 0.00 0.00 176.35 177.07 3dg9 s ALA 123 N 0.27 1.71 0.17 4.21 0.00 -0.07 -1.08 121.76 126.96 3dg9 s ALA 123 Ca 0.05 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.79 3dg9 s ALA 123 Cb -0.12 -1.40 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 3dg9 s ALA 123 CO -0.00 -1.24 -0.02 0.95 0.00 0.00 0.00 175.76 175.45 3dg9 s THR 124 N 1.52 0.79 -1.90 0.00 -4.23 -0.57 -1.09 115.64 110.16 3dg9 s THR 124 Ca -0.03 -1.99 0.29 0.00 -1.18 0.00 0.00 61.69 58.78 3dg9 s THR 124 Cb -0.18 -2.05 0.55 0.00 1.34 0.00 0.00 72.50 72.15 3dg9 s THR 124 CO -0.08 -0.54 1.89 0.00 -0.54 0.00 0.00 174.62 175.34 3dg9 n ALA 125 N -0.23 2.73 -2.09 3.99 0.00 -0.95 -1.16 120.51 122.80 3dg9 n ALA 125 Ca -0.08 -0.30 -0.19 0.00 0.00 0.00 0.00 53.44 52.87 3dg9 n ALA 125 Cb 0.63 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.77 3dg9 n ALA 125 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3dg9 s TYR 126 N -2.28 2.90 0.69 0.00 2.02 -1.26 -0.76 117.35 118.66 3dg9 s TYR 126 Ca 0.34 -0.20 -0.11 0.00 -0.37 0.00 0.00 57.07 56.73 3dg9 s TYR 126 Cb 0.21 -2.44 0.00 0.00 -0.40 0.00 0.00 41.96 39.33 3dg9 s TYR 126 CO 0.43 -0.50 1.07 0.96 -1.57 0.00 0.00 175.55 175.94 3dg9 s ILE 127 N -2.48 3.86 0.40 2.71 -4.36 -1.26 -2.09 121.20 117.98 3dg9 s ILE 127 Ca 0.54 0.60 0.18 0.00 -0.26 0.00 0.00 60.65 61.72 3dg9 s ILE 127 Cb -0.10 -3.53 0.19 0.00 1.25 0.00 0.00 42.46 40.27 3dg9 s ILE 127 CO 0.35 -0.79 1.95 0.44 0.24 0.00 0.00 174.94 177.13 3dg9 h ASP 128 N -0.62 0.00 -0.90 4.36 3.32 -1.98 -1.89 116.42 118.70 3dg9 h ASP 128 Ca -0.45 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 3dg9 h ASP 128 Cb 1.23 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 3dg9 h ASP 128 CO 0.62 0.23 0.50 -0.78 -1.72 0.00 0.00 179.24 178.08 3dg9 h ASP 129 N 0.00 1.12 -0.30 6.45 3.58 -2.00 0.32 116.42 125.59 3dg9 h ASP 129 Ca -0.00 -0.10 -0.16 0.00 0.42 0.00 0.00 57.03 57.19 3dg9 h ASP 129 Cb 0.46 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3dg9 h ASP 129 CO 0.03 0.90 -0.43 0.58 -2.88 0.00 0.00 179.24 177.44 3dg9 h VAL 130 N 1.26 1.28 -0.58 2.25 2.07 -1.76 -2.54 116.25 118.23 3dg9 h VAL 130 Ca 0.32 -1.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 3dg9 h VAL 130 Cb 0.02 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3dg9 h VAL 130 CO -0.05 0.53 0.22 0.78 0.02 0.00 0.00 177.57 179.06 3dg9 h ASN 131 N 0.70 0.77 -0.57 0.57 2.35 -0.80 -0.57 115.58 118.03 3dg9 h ASN 131 Ca 0.05 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3dg9 h ASN 131 Cb 1.01 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 3dg9 h ASN 131 CO 0.10 0.70 0.19 -0.33 -1.65 0.00 0.00 177.43 176.44 3dg9 h GLU 132 N 0.83 0.87 -0.71 0.81 5.08 -0.81 -0.85 114.58 119.81 3dg9 h GLU 132 Ca 0.20 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3dg9 h GLU 132 Cb 0.18 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3dg9 h GLU 132 CO -0.02 0.78 0.27 0.00 -1.00 0.00 0.00 179.01 179.05 3dg9 h ARG 133 N 0.79 1.05 -0.02 2.33 3.08 -1.02 -0.95 114.38 119.65 3dg9 h ARG 133 Ca 0.18 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3dg9 h ARG 133 Cb 0.27 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3dg9 h ARG 133 CO -0.01 0.87 0.01 1.25 -1.07 0.00 0.00 179.97 181.02 3dg9 h LEU 134 N 1.03 0.02 -1.05 3.04 5.85 -0.66 -1.41 115.31 122.13 3dg9 h LEU 134 Ca 0.24 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3dg9 h LEU 134 Cb 0.22 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3dg9 h LEU 134 CO -0.02 0.16 0.64 0.00 -0.34 0.00 0.00 178.44 178.88 3dg9 h ALA 135 N 0.87 1.38 -0.53 1.25 0.00 -0.98 -0.69 119.26 120.55 3dg9 h ALA 135 Ca 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3dg9 h ALA 135 Cb 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3dg9 h ALA 135 CO -0.00 0.52 0.13 0.00 0.00 0.00 0.00 179.25 179.90 3dg9 h ALA 136 N 1.44 0.71 -0.08 0.00 0.00 -0.98 -1.10 119.26 119.24 3dg9 h ALA 136 Ca 0.39 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dg9 h ALA 136 Cb 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3dg9 h ALA 136 CO -0.12 0.40 0.05 0.35 0.00 0.00 0.00 179.25 179.93 3dg9 h PHE 137 N 0.75 0.10 -0.87 0.00 3.57 -0.81 -0.88 116.94 118.81 3dg9 h PHE 137 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3dg9 h PHE 137 Cb 0.34 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 3dg9 h PHE 137 CO 0.02 0.11 0.56 -0.07 -2.23 0.00 0.00 178.31 176.71 3dg9 h LEU 138 N 0.07 1.02 -0.83 0.59 3.38 -0.97 -2.30 115.31 116.28 3dg9 h LEU 138 Ca 0.03 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3dg9 h LEU 138 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3dg9 h LEU 138 CO -0.01 0.75 0.05 0.00 0.09 0.00 0.00 178.44 179.33 3dg9 h ALA 139 N 1.31 1.03 -0.16 1.53 0.00 -0.99 -0.31 119.26 121.67 3dg9 h ALA 139 Ca 0.32 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3dg9 h ALA 139 Cb -0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3dg9 h ALA 139 CO -0.07 0.61 0.11 0.93 0.00 0.00 0.00 179.25 180.84 3dg9 h GLU 140 N 0.87 0.06 -0.59 0.00 5.08 -0.70 -1.71 114.58 117.59 3dg9 h GLU 140 Ca 0.17 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3dg9 h GLU 140 Cb 0.44 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3dg9 h GLU 140 CO 0.02 0.04 0.00 0.39 -1.00 0.00 0.00 179.01 178.46 3dg9 n GLU 141 N -4.50 4.88 -1.04 2.33 -0.58 -0.75 -4.92 120.64 116.06 3dg9 n GLU 141 Ca 0.00 -3.16 -0.01 0.00 -0.42 0.00 0.00 57.16 53.57 3dg9 n GLU 141 Cb 0.20 -2.26 -0.01 0.00 -0.57 0.00 0.00 31.44 28.80 3dg9 n GLU 141 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3dg9 n SER 142 N 0.66 -3.24 -4.92 1.62 7.64 -0.64 -5.03 113.62 109.71 3dg9 n SER 142 Ca 0.28 0.04 -0.21 0.00 1.01 0.00 0.00 58.87 59.99 3dg9 n SER 142 Cb 1.19 -0.87 -0.02 0.00 -1.01 0.00 0.00 64.21 63.50 3dg9 n SER 142 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3dg9 s LEU 143 N -0.33 3.91 -0.32 -3.43 1.43 -0.20 -5.00 118.68 114.74 3dg9 s LEU 143 Ca 0.00 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3dg9 s LEU 143 Cb 0.00 -2.55 0.09 0.00 0.03 0.00 0.00 46.19 43.76 3dg9 s LEU 143 CO 0.00 -0.26 0.03 -0.69 0.23 0.00 0.00 176.35 175.66 3dg9 s VAL 144 N -2.16 1.96 0.24 -1.59 1.01 0.26 -3.68 120.40 116.43 3dg9 s VAL 144 Ca 0.39 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.07 3dg9 s VAL 144 Cb -0.08 -2.39 -0.09 0.00 0.00 0.00 0.00 36.38 33.82 3dg9 s VAL 144 CO 0.28 -0.50 1.29 -2.84 0.00 0.00 0.00 175.10 173.34 3dg9 s PRO 145 N 1.09 4.40 0.00 2.72 0.02 -1.26 -1.31 135.00 140.66 3dg9 s PRO 145 Ca 0.07 2.08 0.17 0.00 0.02 0.00 0.00 61.00 63.33 3dg9 s PRO 145 Cb -0.19 -3.16 -0.15 0.00 0.02 0.00 0.00 34.50 31.02 3dg9 s PRO 145 CO -0.10 -0.20 0.75 0.25 -0.33 0.00 0.00 177.00 177.37 3dg9 n THR 146 N 2.08 0.00 0.00 0.99 -2.24 -0.26 -4.86 114.28 109.99 3dg9 n THR 146 Ca 0.04 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3dg9 n THR 146 Cb 0.43 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 3dg9 n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dg9 n GLY 147 N 1.37 1.13 3.25 3.38 0.00 -1.26 -4.80 105.19 108.26 3dg9 n GLY 147 Ca 0.04 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 3dg9 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dg9 s ARG 149 N 0.74 1.04 0.15 0.00 1.81 -0.24 -4.98 118.95 117.46 3dg9 s ARG 149 Ca -0.04 -0.45 -0.09 0.00 -1.72 0.00 0.00 55.73 53.43 3dg9 s ARG 149 Cb -0.05 -1.00 -0.01 0.00 -0.45 0.00 0.00 34.95 33.44 3dg9 s ARG 149 CO -0.05 0.26 0.26 -1.54 -0.68 0.00 0.00 175.30 173.55 3dg9 s SER 150 N -0.27 0.06 0.11 0.23 1.04 -1.26 -1.51 113.70 112.10 3dg9 s SER 150 Ca 0.04 -0.83 0.22 0.00 0.48 0.00 0.00 55.95 55.87 3dg9 s SER 150 Cb -0.05 0.41 -0.12 0.00 0.10 0.00 0.00 66.02 66.36 3dg9 s SER 150 CO -0.00 -0.85 0.84 0.18 0.98 0.00 0.00 173.24 174.38 3dg9 n LEU 151 N -0.18 0.53 -1.35 2.42 4.77 -0.31 -4.95 117.00 117.92 3dg9 n LEU 151 Ca -0.09 0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 3dg9 n LEU 151 Cb 0.63 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3dg9 n LEU 151 CO 0.24 -0.10 -0.12 0.61 -1.33 0.00 0.00 177.39 176.69 3dg9 n GLY 152 N 1.23 -0.08 3.75 -0.72 0.00 -0.89 -4.92 105.19 103.57 3dg9 n GLY 152 Ca -0.01 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 3dg9 n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dg9 s ILE 153 N -2.61 5.18 -0.80 -0.61 1.01 0.06 -4.64 121.20 118.79 3dg9 s ILE 153 Ca 0.02 0.82 0.12 0.00 0.00 0.00 0.00 60.65 61.61 3dg9 s ILE 153 Cb -0.01 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.64 3dg9 s ILE 153 CO 0.03 0.41 0.60 0.35 0.00 0.00 0.00 174.94 176.33 3dg9 n THR 154 N 3.16 0.00 -2.59 2.92 -2.24 -1.26 -4.35 114.28 109.92 3dg9 n THR 154 Ca -0.10 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.00 3dg9 n THR 154 Cb 0.52 1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 3dg9 n THR 154 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dg9 s GLY 155 N -1.92 2.96 -0.07 3.38 0.00 -1.26 -0.37 107.32 110.04 3dg9 s GLY 155 Ca 0.07 0.75 -0.01 0.00 0.00 0.00 0.00 44.72 45.53 3dg9 s GLY 155 CO 0.42 1.51 0.05 -2.08 0.00 0.00 0.00 173.10 173.01 3dg9 h VAL 156 N 3.58 0.00 0.00 1.40 2.07 -1.89 -3.32 116.25 118.09 3dg9 h VAL 156 Ca -0.45 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 3dg9 h VAL 156 Cb 1.21 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3dg9 h VAL 156 CO 0.71 0.00 -0.16 -0.33 0.02 0.00 0.00 177.57 177.80 3dg9 h GLU 157 N -0.71 0.00 -0.73 1.57 3.07 -1.94 -2.81 114.58 113.03 3dg9 h GLU 157 Ca -0.00 0.00 0.21 0.00 -0.50 0.00 0.00 59.36 59.07 3dg9 h GLU 157 Cb 0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 3dg9 h GLU 157 CO 0.01 0.16 0.66 0.00 -1.40 0.00 0.00 179.01 178.44 3dg9 h ALA 158 N 1.84 2.56 -0.36 3.43 0.00 -1.98 -2.70 119.26 122.05 3dg9 h ALA 158 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3dg9 h ALA 158 Cb 0.33 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3dg9 h ALA 158 CO 0.02 -1.04 0.14 0.52 0.00 0.00 0.00 179.25 178.90 3dg9 h MET 159 N 0.00 0.51 0.00 0.00 2.86 -1.61 -2.26 114.93 114.43 3dg9 h MET 159 Ca 0.35 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3dg9 h MET 159 Cb 1.66 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.22 3dg9 h MET 159 CO -0.00 0.42 0.00 0.00 1.06 0.00 0.00 176.91 178.39 3dg9 h ALA 160 N 1.65 1.00 -0.16 6.32 0.00 -1.31 -2.86 119.26 123.90 3dg9 h ALA 160 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dg9 h ALA 160 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dg9 h ALA 160 CO -0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.78 3dg9 n ARG 161 N -2.50 2.32 -2.27 0.00 1.74 -0.85 -4.66 116.66 110.45 3dg9 n ARG 161 Ca 0.01 -1.95 -0.42 0.00 -0.77 0.00 0.00 57.85 54.72 3dg9 n ARG 161 Cb 0.21 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 3dg9 n ARG 161 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dg9 s VAL 162 N -1.82 3.73 0.60 1.55 1.01 -1.08 -5.00 120.40 119.40 3dg9 s VAL 162 Ca 0.33 1.16 -0.06 0.00 0.00 0.00 0.00 61.98 63.41 3dg9 s VAL 162 Cb 0.21 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.85 3dg9 s VAL 162 CO 0.31 0.03 0.92 1.51 0.00 0.00 0.00 175.10 177.87 3dg9 s ASP 163 N 1.56 5.59 0.18 3.32 1.47 -1.26 -4.67 116.67 122.86 3dg9 s ASP 163 Ca 0.62 0.76 -0.14 0.00 1.18 0.00 0.00 52.55 54.98 3dg9 s ASP 163 Cb -0.32 -1.74 0.11 0.00 -0.34 0.00 0.00 42.92 40.64 3dg9 s ASP 163 CO 0.27 -1.09 1.79 0.74 0.68 0.00 0.00 175.17 177.57 3dg9 h THR 164 N -0.22 0.99 -0.93 2.11 2.02 -1.94 -1.98 112.91 112.96 3dg9 h THR 164 Ca -0.45 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 66.56 3dg9 h THR 164 Cb 1.25 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 3dg9 h THR 164 CO 0.61 0.10 0.62 0.00 0.37 0.00 0.00 175.52 177.21 3dg9 h ALA 165 N 1.25 1.18 -0.61 6.16 0.00 -1.99 0.40 119.26 125.65 3dg9 h ALA 165 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3dg9 h ALA 165 Cb 0.09 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3dg9 h ALA 165 CO -0.13 0.57 0.30 1.15 0.00 0.00 0.00 179.25 181.14 3dg9 h THR 166 N 1.26 1.21 -0.40 0.00 2.02 -1.84 -1.35 112.91 113.81 3dg9 h THR 166 Ca 0.34 -0.59 -0.14 0.00 0.77 0.00 0.00 66.41 66.80 3dg9 h THR 166 Cb -0.14 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3dg9 h THR 166 CO -0.08 0.24 -0.29 -0.07 0.37 0.00 0.00 175.52 175.69 3dg9 h LEU 167 N 0.83 0.94 -0.49 2.58 3.38 -0.75 -0.49 115.31 121.30 3dg9 h LEU 167 Ca 0.21 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3dg9 h LEU 167 Cb 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3dg9 h LEU 167 CO -0.03 1.18 0.31 0.58 0.09 0.00 0.00 178.44 180.58 3dg9 h VAL 168 N 0.71 1.14 -0.72 1.22 2.07 -0.84 -2.09 116.25 117.74 3dg9 h VAL 168 Ca 0.08 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3dg9 h VAL 168 Cb 0.87 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3dg9 h VAL 168 CO 0.08 0.13 0.36 -0.78 0.02 0.00 0.00 177.57 177.38 3dg9 h ASP 169 N 0.66 0.93 -0.28 0.57 3.58 -1.15 -0.89 116.42 119.84 3dg9 h ASP 169 Ca 0.18 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.52 3dg9 h ASP 169 Cb -0.05 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 3dg9 h ASP 169 CO -0.04 0.79 0.16 0.25 -2.88 0.00 0.00 179.24 177.52 3dg9 h LEU 170 N 1.00 0.26 -0.25 2.28 5.85 -0.89 -0.43 115.31 123.12 3dg9 h LEU 170 Ca 0.25 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3dg9 h LEU 170 Cb 0.09 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3dg9 h LEU 170 CO -0.03 0.19 0.10 0.00 -0.34 0.00 0.00 178.44 178.36 3dg9 h VAL 172 N 0.26 1.15 -0.58 0.00 2.07 -1.03 -1.54 116.25 116.59 3dg9 h VAL 172 Ca 0.08 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3dg9 h VAL 172 Cb 0.17 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3dg9 h VAL 172 CO -0.01 0.16 0.18 0.03 0.02 0.00 0.00 177.57 177.96 3dg9 h ARG 173 N 0.68 0.87 -0.51 1.57 3.08 -0.99 0.11 114.38 119.19 3dg9 h ARG 173 Ca 0.18 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3dg9 h ARG 173 Cb -0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3dg9 h ARG 173 CO -0.03 0.75 0.12 0.00 -1.07 0.00 0.00 179.97 179.73 3dg9 h ALA 174 N 1.36 0.67 -0.46 0.04 0.00 -0.99 -2.43 119.26 117.45 3dg9 h ALA 174 Ca 0.19 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3dg9 h ALA 174 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3dg9 h ALA 174 CO -0.01 0.37 -0.24 0.35 0.00 0.00 0.00 179.25 179.73 3dg9 h PHE 175 N 0.71 1.13 -0.88 0.00 3.57 -1.06 -2.98 116.94 117.44 3dg9 h PHE 175 Ca 0.16 -0.28 0.16 0.00 3.53 0.00 0.00 57.97 61.54 3dg9 h PHE 175 Cb 0.34 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 38.75 3dg9 h PHE 175 CO 0.02 1.11 0.57 1.49 -2.23 0.00 0.00 178.31 179.27 3dg9 h GLU 176 N 0.83 0.55 0.00 1.11 4.81 -0.64 0.35 114.58 121.59 3dg9 h GLU 176 Ca 0.10 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3dg9 h GLU 176 Cb 0.82 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 3dg9 h GLU 176 CO 0.07 0.36 -0.13 0.00 -0.73 0.00 0.00 179.01 178.58 3dg9 h ALA 177 N 1.61 1.00 -1.40 2.92 0.00 -1.28 -3.37 119.26 118.74 3dg9 h ALA 177 Ca 0.45 -0.12 -0.41 0.00 0.00 0.00 0.00 54.91 54.83 3dg9 h ALA 177 Cb 0.88 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 18.37 3dg9 h ALA 177 CO -0.19 0.16 -0.81 0.00 0.00 0.00 0.00 179.25 178.41 3dg9 n ALA 178 N -2.16 0.76 1.93 0.00 0.00 0.01 -5.00 120.51 116.05 3dg9 n ALA 178 Ca 0.01 -2.38 0.11 0.00 0.00 0.00 0.00 53.44 51.18 3dg9 n ALA 178 Cb 0.41 -1.06 0.67 0.00 0.00 0.00 0.00 19.45 19.47 3dg9 n ALA 178 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dg9 n PRO 179 N 2.11 0.97 0.00 0.00 -0.04 -0.59 -1.43 135.00 136.02 3dg9 n PRO 179 Ca 0.20 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.80 3dg9 n PRO 179 Cb 0.55 -1.36 0.67 0.00 -0.04 0.00 0.00 33.50 33.32 3dg9 n PRO 179 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3dg9 n ASP 180 N -0.86 0.77 -4.76 3.54 5.75 -1.26 -4.95 116.55 114.77 3dg9 n ASP 180 Ca 0.17 -1.11 -0.37 0.00 -0.01 0.00 0.00 54.79 53.47 3dg9 n ASP 180 Cb 0.08 -0.01 0.01 0.00 -1.03 0.00 0.00 41.12 40.17 3dg9 n ASP 180 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3dg9 s SER 181 N -2.13 5.78 0.39 -1.12 0.01 -0.52 -4.93 113.70 111.19 3dg9 s SER 181 Ca 0.39 2.38 0.21 0.00 1.31 0.00 0.00 55.95 60.23 3dg9 s SER 181 Cb 0.21 -2.60 0.35 0.00 0.21 0.00 0.00 66.02 64.19 3dg9 s SER 181 CO 0.38 -1.19 1.59 0.44 0.41 0.00 0.00 173.24 174.87 3dg9 h ASP 182 N 1.61 0.00 -1.62 2.44 3.32 -0.78 -3.49 116.42 117.90 3dg9 h ASP 182 Ca -0.50 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.75 3dg9 h ASP 182 Cb 1.27 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.78 3dg9 h ASP 182 CO 0.58 0.20 0.55 0.61 -1.72 0.00 0.00 179.24 179.46 3dg9 n GLY 183 N 1.00 0.50 3.07 2.75 0.00 -1.18 -4.18 105.19 107.14 3dg9 n GLY 183 Ca 0.03 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 3dg9 n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dg9 s ILE 184 N -2.11 1.26 -0.33 -0.61 1.01 -0.38 -1.59 121.20 118.46 3dg9 s ILE 184 Ca 0.19 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 3dg9 s ILE 184 Cb -0.01 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 3dg9 s ILE 184 CO 0.01 0.38 0.22 -0.22 0.00 0.00 0.00 174.94 175.33 3dg9 s LEU 185 N 0.44 4.41 -0.55 2.97 2.96 -0.39 -0.63 118.68 127.89 3dg9 s LEU 185 Ca -0.11 -0.37 -0.16 0.00 -0.22 0.00 0.00 54.13 53.26 3dg9 s LEU 185 Cb -0.14 -2.12 0.13 0.00 0.50 0.00 0.00 46.19 44.56 3dg9 s LEU 185 CO 0.04 -0.20 0.51 -0.22 -1.32 0.00 0.00 176.35 175.15 3dg9 s LEU 186 N 1.72 6.18 -0.21 -0.68 2.96 0.16 -0.90 118.68 127.90 3dg9 s LEU 186 Ca 0.06 -1.80 -0.08 0.00 -0.22 0.00 0.00 54.13 52.09 3dg9 s LEU 186 Cb -0.17 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 3dg9 s LEU 186 CO 0.10 -0.86 0.09 -0.55 -1.32 0.00 0.00 176.35 173.81 3dg9 s SER 187 N 3.57 5.65 0.00 3.68 0.15 -0.25 -1.57 113.70 124.94 3dg9 s SER 187 Ca 0.04 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.71 3dg9 s SER 187 Cb -0.29 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 3dg9 s SER 187 CO 0.03 0.10 0.00 0.00 1.20 0.00 0.00 173.24 174.57 3dg9 n GLY 189 N 0.00 -0.86 0.01 0.00 0.00 -1.26 -2.44 105.19 100.63 3dg9 n GLY 189 Ca 0.00 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3dg9 n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dg9 n GLY 190 N 0.44 -1.36 3.84 -0.02 0.00 -1.26 -4.61 105.19 102.22 3dg9 n GLY 190 Ca 0.12 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 3dg9 n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dg9 s LEU 191 N -3.09 3.67 -0.59 0.99 1.43 -1.02 -2.82 118.68 117.25 3dg9 s LEU 191 Ca 0.12 1.54 -0.10 0.00 -1.03 0.00 0.00 54.13 54.66 3dg9 s LEU 191 Cb 0.18 -4.46 0.15 0.00 0.03 0.00 0.00 46.19 42.09 3dg9 s LEU 191 CO 0.64 -0.55 0.47 -0.76 0.23 0.00 0.00 176.35 176.38 3dg9 s LEU 192 N -3.97 5.89 0.00 1.79 1.43 -1.26 -4.88 118.68 117.68 3dg9 s LEU 192 Ca 0.58 -2.27 0.15 0.00 -1.03 0.00 0.00 54.13 51.56 3dg9 s LEU 192 Cb -0.10 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.12 3dg9 s LEU 192 CO 0.30 -0.61 0.87 0.35 0.23 0.00 0.00 176.35 177.48 3dg9 n THR 193 N 4.43 0.00 0.06 5.49 -2.24 -1.26 -4.70 114.28 116.06 3dg9 n THR 193 Ca -0.00 -0.39 0.01 0.00 -2.27 0.00 0.00 64.05 61.40 3dg9 n THR 193 Cb 0.41 1.22 0.35 0.00 -2.10 0.00 0.00 70.33 70.21 3dg9 n THR 193 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dg9 h LEU 194 N 2.08 0.36 -0.04 3.22 3.38 -1.97 -1.83 115.31 120.51 3dg9 h LEU 194 Ca 0.00 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 3dg9 h LEU 194 Cb 0.55 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3dg9 h LEU 194 CO 0.00 0.47 -0.88 0.44 0.09 0.00 0.00 178.44 178.56 3dg9 h ASP 195 N 0.37 0.00 -0.49 -0.43 3.32 -1.93 -3.29 116.42 113.96 3dg9 h ASP 195 Ca 0.08 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3dg9 h ASP 195 Cb 0.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3dg9 h ASP 195 CO 0.02 0.88 -0.12 0.00 -1.72 0.00 0.00 179.24 178.29 3dg9 h ALA 196 N 1.12 0.68 0.14 3.45 0.00 -1.67 -3.36 119.26 119.64 3dg9 h ALA 196 Ca -0.01 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.57 3dg9 h ALA 196 Cb 1.66 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 3dg9 h ALA 196 CO 0.11 0.60 -0.29 0.82 0.00 0.00 0.00 179.25 180.49 3dg9 h ILE 197 N 0.81 0.37 -0.01 0.00 2.04 -1.44 -0.82 117.51 118.47 3dg9 h ILE 197 Ca 0.13 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 3dg9 h ILE 197 Cb 0.68 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3dg9 h ILE 197 CO 0.05 0.00 -0.23 1.55 0.00 0.00 0.00 178.15 179.52 3dg9 h PRO 198 N -0.52 0.01 -0.33 2.37 0.13 -1.74 -1.30 132.00 130.62 3dg9 h PRO 198 Ca 0.02 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.03 3dg9 h PRO 198 Cb 0.54 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 3dg9 h PRO 198 CO -0.15 0.24 -0.27 1.49 -0.23 0.00 0.00 178.00 179.08 3dg9 h GLU 199 N 0.01 0.76 -0.45 0.86 4.57 -1.55 0.37 114.58 119.15 3dg9 h GLU 199 Ca -0.00 -0.38 -0.05 0.00 -1.18 0.00 0.00 59.36 57.75 3dg9 h GLU 199 Cb 0.42 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 3dg9 h GLU 199 CO 0.03 1.01 0.10 0.28 -1.18 0.00 0.00 179.01 179.25 3dg9 h VAL 200 N 0.53 1.24 -0.68 0.32 2.07 -0.79 -1.83 116.25 117.11 3dg9 h VAL 200 Ca 0.06 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 3dg9 h VAL 200 Cb 0.84 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3dg9 h VAL 200 CO 0.07 0.30 0.14 -0.33 0.02 0.00 0.00 177.57 177.77 3dg9 h GLU 201 N 0.61 1.10 -0.09 1.57 5.08 -1.14 -0.66 114.58 121.05 3dg9 h GLU 201 Ca 0.14 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3dg9 h GLU 201 Cb 0.34 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3dg9 h GLU 201 CO 0.00 0.99 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.90 3dg9 h ARG 202 N 1.04 0.02 -0.26 2.33 2.43 -0.79 -0.91 114.38 118.24 3dg9 h ARG 202 Ca 0.21 -0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.19 3dg9 h ARG 202 Cb 0.40 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3dg9 h ARG 202 CO 0.01 0.01 -0.59 -0.09 -1.51 0.00 0.00 179.97 177.80 3dg9 h ARG 203 N 0.02 0.86 0.00 0.20 2.43 -1.05 -3.37 114.38 113.48 3dg9 h ARG 203 Ca 0.04 -0.58 -0.12 0.00 -0.81 0.00 0.00 59.98 58.52 3dg9 h ARG 203 Cb 0.06 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3dg9 h ARG 203 CO -0.08 1.21 -2.12 1.28 -1.51 0.00 0.00 179.97 178.75 3dg9 n LEU 204 N -4.00 0.00 -0.16 3.80 4.77 -0.28 -5.00 117.00 116.14 3dg9 n LEU 204 Ca -0.05 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.91 3dg9 n LEU 204 Cb 0.65 0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.89 3dg9 n LEU 204 CO 0.51 0.16 -0.02 0.61 -1.33 0.00 0.00 177.39 177.32 3dg9 n GLY 205 N 1.42 0.55 3.32 -0.72 0.00 -0.35 -5.02 105.19 104.39 3dg9 n GLY 205 Ca -0.13 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 3dg9 n GLY 205 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dg9 s VAL 206 N -1.98 1.72 0.46 1.61 -7.23 -1.26 -5.09 120.40 108.64 3dg9 s VAL 206 Ca 0.00 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 58.03 3dg9 s VAL 206 Cb 0.00 -1.85 -0.09 0.00 0.56 0.00 0.00 36.38 35.00 3dg9 s VAL 206 CO 0.00 -0.40 0.93 -2.16 -0.31 0.00 0.00 175.10 173.16 3dg9 s PRO 207 N -2.99 4.05 -0.14 4.82 0.04 -1.26 -4.40 135.00 135.12 3dg9 s PRO 207 Ca 0.16 0.95 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 3dg9 s PRO 207 Cb -0.04 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 3dg9 s PRO 207 CO 0.06 -0.12 -0.03 0.08 0.04 0.00 0.00 177.00 177.03 3dg9 s VAL 208 N -2.38 4.00 -0.27 -0.36 1.01 -1.26 -1.24 120.40 119.90 3dg9 s VAL 208 Ca 0.59 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 3dg9 s VAL 208 Cb -0.10 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3dg9 s VAL 208 CO 0.23 0.52 0.04 -0.69 0.00 0.00 0.00 175.10 175.20 3dg9 s VAL 209 N 0.03 3.77 -0.09 2.92 1.01 0.20 -4.69 120.40 123.53 3dg9 s VAL 209 Ca 0.01 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3dg9 s VAL 209 Cb -0.13 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 3dg9 s VAL 209 CO 0.02 0.18 -0.10 -0.55 0.00 0.00 0.00 175.10 174.65 3dg9 s SER 210 N 1.49 4.33 0.15 3.32 0.15 -1.26 -0.67 113.70 121.21 3dg9 s SER 210 Ca 0.03 -0.16 -0.28 0.00 0.70 0.00 0.00 55.95 56.24 3dg9 s SER 210 Cb -0.16 -1.28 -0.02 0.00 -1.71 0.00 0.00 66.02 62.85 3dg9 s SER 210 CO 0.01 0.28 1.57 0.28 1.20 0.00 0.00 173.24 176.58 3dg9 h SER 211 N 5.86 -1.49 0.22 5.45 0.02 -1.56 -0.01 113.55 122.04 3dg9 h SER 211 Ca -0.40 0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 3dg9 h SER 211 Cb 1.18 0.64 0.00 0.00 0.14 0.00 0.00 62.40 64.37 3dg9 h SER 211 CO 0.54 -0.38 -0.10 -1.28 -1.14 0.00 0.00 176.83 174.47 3dg9 h SER 212 N -0.34 -0.25 -0.87 3.07 0.87 -1.81 0.21 113.55 114.43 3dg9 h SER 212 Ca 0.13 -0.24 0.08 0.00 -1.23 0.00 0.00 61.79 60.52 3dg9 h SER 212 Cb 0.59 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.54 3dg9 h SER 212 CO -0.57 0.14 0.53 -0.65 -0.53 0.00 0.00 176.83 175.75 3dg9 h PRO 213 N -0.68 0.89 -0.84 2.24 0.11 -1.94 -1.11 132.00 130.66 3dg9 h PRO 213 Ca -0.03 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 3dg9 h PRO 213 Cb 0.48 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.35 3dg9 h PRO 213 CO 0.05 0.59 0.43 0.00 -0.21 0.00 0.00 178.00 178.86 3dg9 h ALA 214 N 1.44 1.08 -0.93 -0.75 0.00 -0.97 -0.22 119.26 118.91 3dg9 h ALA 214 Ca 0.40 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3dg9 h ALA 214 Cb 0.28 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3dg9 h ALA 214 CO -0.21 0.62 0.60 0.78 0.00 0.00 0.00 179.25 181.04 3dg9 h GLY 215 N 1.19 1.36 0.72 0.00 0.00 0.23 -0.10 103.07 106.48 3dg9 h GLY 215 Ca 0.29 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3dg9 h GLY 215 CO -0.04 0.39 -0.00 0.74 0.00 0.00 0.00 176.54 177.62 3dg9 h PHE 216 N 1.16 0.12 -0.47 5.60 0.04 -0.77 -1.61 116.94 121.01 3dg9 h PHE 216 Ca 0.37 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 61.19 3dg9 h PHE 216 Cb 0.02 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.08 3dg9 h PHE 216 CO -0.01 0.39 0.15 2.35 -0.60 0.00 0.00 178.31 180.59 3dg9 h TRP 217 N -0.18 0.25 -0.54 -0.55 7.01 -0.73 -0.15 115.95 121.05 3dg9 h TRP 217 Ca 0.02 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.98 3dg9 h TRP 217 Cb 0.34 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 3dg9 h TRP 217 CO 0.03 0.07 0.09 0.22 -2.79 0.00 0.00 178.44 176.06 3dg9 h ASP 218 N 0.31 0.86 -0.27 2.65 3.58 -1.01 -1.52 116.42 121.02 3dg9 h ASP 218 Ca 0.23 -0.26 -0.13 0.00 0.42 0.00 0.00 57.03 57.29 3dg9 h ASP 218 Cb 0.26 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 3dg9 h ASP 218 CO -0.25 0.90 -0.29 0.00 -2.88 0.00 0.00 179.24 176.72 3dg9 h ALA 219 N 0.99 0.80 -0.22 -0.78 0.00 -0.92 -0.66 119.26 118.47 3dg9 h ALA 219 Ca 0.17 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 3dg9 h ALA 219 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3dg9 h ALA 219 CO 0.01 0.65 -0.50 0.28 0.00 0.00 0.00 179.25 179.69 3dg9 h VAL 220 N 0.66 1.31 -0.59 0.00 2.07 -0.92 -1.35 116.25 117.43 3dg9 h VAL 220 Ca 0.08 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 3dg9 h VAL 220 Cb 0.82 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 3dg9 h VAL 220 CO 0.07 0.54 0.32 0.03 0.02 0.00 0.00 177.57 178.55 3dg9 h ARG 221 N 0.48 0.82 -0.51 1.57 3.08 -1.03 -2.68 114.38 116.11 3dg9 h ARG 221 Ca 0.02 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 3dg9 h ARG 221 Cb 1.04 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 3dg9 h ARG 221 CO 0.10 0.63 0.05 1.25 -1.07 0.00 0.00 179.97 180.92 3dg9 h LEU 222 N 0.79 0.78 -1.07 3.04 5.85 -0.65 -2.39 115.31 121.65 3dg9 h LEU 222 Ca 0.21 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3dg9 h LEU 222 Cb 0.05 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 3dg9 h LEU 222 CO -0.03 0.81 -0.14 0.00 -0.34 0.00 0.00 178.44 178.74 3dg9 h ALA 223 N 1.28 1.00 0.00 1.25 0.00 -1.11 -3.48 119.26 118.20 3dg9 h ALA 223 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dg9 h ALA 223 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3dg9 h ALA 223 CO 0.01 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.85 3dg9 n GLY 224 N 0.25 0.78 0.05 0.00 0.00 -0.90 -4.85 105.19 100.52 3dg9 n GLY 224 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3dg9 n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dg9 n GLY 225 N -2.20 -1.12 2.17 -0.02 0.00 -1.26 -4.90 105.19 97.86 3dg9 n GLY 225 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 3dg9 n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dg9 n GLY 226 N 0.03 0.45 3.76 -0.02 0.00 -1.26 -4.99 105.19 103.15 3dg9 n GLY 226 Ca 0.03 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3dg9 n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dg9 s ALA 227 N -1.87 3.12 -0.08 4.61 0.00 -1.26 -4.99 121.76 121.29 3dg9 s ALA 227 Ca 0.00 1.34 -0.00 0.00 0.00 0.00 0.00 51.96 53.29 3dg9 s ALA 227 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3dg9 s ALA 227 CO 0.00 -1.11 -0.05 0.21 0.00 0.00 0.00 175.76 174.81 3dg9 s LYS 228 N -2.53 2.92 0.52 0.00 2.20 -1.26 -4.98 119.74 116.61 3dg9 s LYS 228 Ca 0.63 -0.51 -0.15 0.00 -0.36 0.00 0.00 55.97 55.58 3dg9 s LYS 228 Cb -0.40 -2.68 -0.07 0.00 -1.51 0.00 0.00 37.83 33.16 3dg9 s LYS 228 CO 0.51 0.62 0.98 0.00 -0.36 0.00 0.00 175.35 177.10 3dg9 s ALA 229 N -0.69 3.09 0.82 3.13 0.00 -1.26 -4.91 121.76 121.94 3dg9 s ALA 229 Ca 0.11 0.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.05 3dg9 s ALA 229 Cb -0.11 -3.08 0.08 0.00 0.00 0.00 0.00 23.12 20.00 3dg9 s ALA 229 CO 0.02 -0.28 1.10 0.54 0.00 0.00 0.00 175.76 177.13 3dg9 n ARG 230 N -1.72 0.11 -2.29 0.00 5.12 -0.57 -4.99 116.66 112.31 3dg9 n ARG 230 Ca 0.06 0.11 -0.30 0.00 -1.93 0.00 0.00 57.85 55.80 3dg9 n ARG 230 Cb 0.54 -2.35 -0.00 0.00 -1.16 0.00 0.00 32.46 29.49 3dg9 n ARG 230 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3dg9 s PRO 231 N -4.02 3.62 0.00 5.56 0.04 -1.26 -4.47 135.00 134.46 3dg9 s PRO 231 Ca 0.71 0.52 0.00 0.00 0.04 0.00 0.00 61.00 62.28 3dg9 s PRO 231 Cb -0.29 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3dg9 s PRO 231 CO 0.53 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.62 3dg9 n GLY 232 N -2.35 0.94 0.66 0.56 0.00 -1.26 -4.98 105.19 98.75 3dg9 n GLY 232 Ca 0.04 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3dg9 n GLY 232 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dg9 n TYR 233 N -2.12 0.63 0.00 1.61 4.01 -1.26 -4.51 117.16 115.52 3dg9 n TYR 233 Ca 0.00 -0.76 0.00 0.00 -0.16 0.00 0.00 57.90 56.98 3dg9 n TYR 233 Cb 0.00 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 38.83 3dg9 n TYR 233 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dg9 n GLY 234 N -0.35 2.92 0.33 2.72 0.00 -1.26 -4.78 105.19 104.77 3dg9 n GLY 234 Ca 0.17 -1.92 0.15 0.00 0.00 0.00 0.00 46.02 44.41 3dg9 n GLY 234 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dg9 h ARG 235 N 0.00 0.00 -0.86 1.61 3.08 -1.88 -1.66 114.38 114.67 3dg9 h ARG 235 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 3dg9 h ARG 235 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 3dg9 h ARG 235 CO 0.00 0.00 0.57 1.25 -1.07 0.00 0.00 179.97 180.72 3dg9 h LEU 236 N 0.00 0.44 -1.56 3.04 5.85 -1.87 -1.99 115.31 119.21 3dg9 h LEU 236 Ca 0.13 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3dg9 h LEU 236 Cb 0.53 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3dg9 h LEU 236 CO -0.00 0.20 0.00 0.49 -0.34 0.00 0.00 178.44 178.78 3dg9 n PHE 237 N -4.51 0.41 0.00 1.25 3.72 -0.62 -5.10 117.46 112.61 3dg9 n PHE 237 Ca 0.18 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3dg9 n PHE 237 Cb 0.62 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 3dg9 n PHE 237 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31