#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxb s VAL 24 N 0.00 4.31 0.49 6.31 1.01 -1.26 -5.11 120.40 126.15 2dxb s VAL 24 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 2dxb s VAL 24 Cb 0.00 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2dxb s VAL 24 CO 0.00 0.59 0.72 -0.94 0.00 0.00 0.00 175.10 175.47 2dxb s SER 25 N -0.75 5.69 0.45 3.32 1.04 -1.26 -4.97 113.70 117.21 2dxb s SER 25 Ca 0.12 0.26 0.13 0.00 0.48 0.00 0.00 55.95 56.94 2dxb s SER 25 Cb -0.12 -1.41 0.99 0.00 0.10 0.00 0.00 66.02 65.59 2dxb s SER 25 CO 0.02 -0.83 2.01 0.44 0.98 0.00 0.00 173.24 175.86 2dxb h ASP 26 N 0.27 0.07 -0.49 7.02 3.32 -1.99 -2.03 116.42 122.58 2dxb h ASP 26 Ca -0.45 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 2dxb h ASP 26 Cb 1.26 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 2dxb h ASP 26 CO 0.57 0.20 -0.14 -0.26 -1.72 0.00 0.00 179.24 177.88 2dxb h PHE 27 N 0.08 1.09 -0.43 4.55 0.04 -1.99 -0.97 116.94 119.32 2dxb h PHE 27 Ca 0.02 -0.24 -0.14 0.00 2.80 0.00 0.00 57.97 60.40 2dxb h PHE 27 Cb 0.26 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 2dxb h PHE 27 CO 0.00 1.05 -0.28 0.93 -0.60 0.00 0.00 178.31 179.40 2dxb h GLU 28 N 0.82 0.93 0.17 1.51 5.08 -1.83 0.02 114.58 121.27 2dxb h GLU 28 Ca 0.12 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 2dxb h GLU 28 Cb 0.71 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2dxb h GLU 28 CO 0.05 1.09 -0.09 0.82 -1.00 0.00 0.00 179.01 179.88 2dxb h ILE 29 N 0.78 0.82 -0.67 3.13 1.08 -1.23 -2.12 117.51 119.30 2dxb h ILE 29 Ca 0.09 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.51 2dxb h ILE 29 Cb 0.86 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 35.40 2dxb h ILE 29 CO 0.08 0.00 0.24 0.25 -0.69 0.00 0.00 178.15 178.03 2dxb h LEU 30 N -0.24 0.93 -0.18 1.44 5.85 -1.10 -2.03 115.31 119.98 2dxb h LEU 30 Ca -0.02 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2dxb h LEU 30 Cb 0.19 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2dxb h LEU 30 CO 0.03 0.85 0.12 -0.08 -0.34 0.00 0.00 178.44 179.02 2dxb h GLU 31 N 0.98 0.24 -0.89 1.25 4.22 -0.78 -0.22 114.58 119.38 2dxb h GLU 31 Ca 0.22 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.66 2dxb h GLU 31 Cb 0.23 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2dxb h GLU 31 CO -0.01 0.17 0.59 0.52 -2.18 0.00 0.00 179.01 178.10 2dxb h MET 32 N 0.24 1.15 -0.21 1.92 2.86 -1.17 -1.55 114.93 118.16 2dxb h MET 32 Ca 0.07 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2dxb h MET 32 Cb -0.01 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.38 2dxb h MET 32 CO -0.01 0.76 0.06 0.00 1.06 0.00 0.00 176.91 178.78 2dxb h ALA 33 N 1.34 0.28 -0.38 6.32 0.00 -0.87 -1.24 119.26 124.70 2dxb h ALA 33 Ca 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2dxb h ALA 33 Cb -0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2dxb h ALA 33 CO -0.09 -0.09 0.14 0.28 0.00 0.00 0.00 179.25 179.49 2dxb h VAL 34 N 0.16 1.20 -0.33 0.00 2.07 -0.84 -1.61 116.25 116.89 2dxb h VAL 34 Ca 0.07 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2dxb h VAL 34 Cb 0.25 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2dxb h VAL 34 CO -0.00 0.22 0.07 -0.09 0.02 0.00 0.00 177.57 177.80 2dxb h ARG 35 N 0.48 0.54 -0.45 1.57 2.43 -1.25 -0.66 114.38 117.03 2dxb h ARG 35 Ca 0.13 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2dxb h ARG 35 Cb 0.21 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2dxb h ARG 35 CO -0.01 0.61 0.23 0.93 -1.51 0.00 0.00 179.97 180.22 2dxb h GLU 36 N 0.38 0.64 -0.37 0.20 5.08 -1.17 -1.42 114.58 117.92 2dxb h GLU 36 Ca 0.10 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2dxb h GLU 36 Cb 0.32 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2dxb h GLU 36 CO 0.00 0.52 0.18 -0.07 -1.00 0.00 0.00 179.01 178.65 2dxb h LEU 37 N 0.59 0.48 -0.60 1.33 3.38 -1.19 0.15 115.31 119.44 2dxb h LEU 37 Ca 0.16 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2dxb h LEU 37 Cb 0.08 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2dxb h LEU 37 CO -0.02 0.46 0.36 0.00 0.09 0.00 0.00 178.44 179.34 2dxb h ALA 38 N 1.04 0.78 -0.29 1.53 0.00 -0.91 -0.68 119.26 120.72 2dxb h ALA 38 Ca 0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2dxb h ALA 38 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2dxb h ALA 38 CO -0.02 0.10 -0.23 0.82 0.00 0.00 0.00 179.25 179.92 2dxb h ILE 39 N 0.72 1.30 -0.50 0.00 2.04 -1.04 0.58 117.51 120.60 2dxb h ILE 39 Ca 0.24 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.75 2dxb h ILE 39 Cb 0.03 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2dxb h ILE 39 CO -0.10 0.44 0.33 -0.33 0.00 0.00 0.00 178.15 178.49 2dxb h GLU 40 N 0.41 0.58 -0.04 2.37 5.08 -0.33 -0.33 114.58 122.32 2dxb h GLU 40 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dxb h GLU 40 Cb 0.79 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2dxb h GLU 40 CO 0.06 0.38 0.00 1.63 -1.00 0.00 0.00 179.01 180.08 2dxb n LYS 41 N -4.47 1.59 -1.64 2.33 4.76 -0.30 -4.94 118.16 115.51 2dxb n LYS 41 Ca 0.05 -0.87 -0.09 0.00 -2.87 0.00 0.00 58.31 54.53 2dxb n LYS 41 Cb 0.12 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 31.82 2dxb n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dxb n GLY 42 N 1.14 0.66 0.18 0.72 0.00 -0.13 -4.93 105.19 102.82 2dxb n GLY 42 Ca 0.19 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 2dxb n GLY 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dxb h LEU 43 N 0.00 0.54 -7.83 0.99 3.38 -1.12 -3.46 115.31 107.82 2dxb h LEU 43 Ca -0.21 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.32 2dxb h LEU 43 Cb 0.84 -0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.30 2dxb h LEU 43 CO 0.28 0.78 -0.31 0.72 0.09 0.00 0.00 178.44 179.99 2dxb s PHE 44 N -4.78 0.17 0.46 1.13 -0.12 -1.25 -5.06 117.98 108.53 2dxb s PHE 44 Ca -0.13 -0.57 0.03 0.00 -0.05 0.00 0.00 56.93 56.21 2dxb s PHE 44 Cb 0.08 -0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.47 2dxb s PHE 44 CO 0.77 -0.62 0.66 -1.54 -0.05 0.00 0.00 175.22 174.44 2dxb s SER 45 N -2.88 5.62 0.35 1.98 1.04 -1.26 -4.18 113.70 114.36 2dxb s SER 45 Ca 0.08 -0.03 0.06 0.00 0.48 0.00 0.00 55.95 56.54 2dxb s SER 45 Cb 0.04 -1.08 0.66 0.00 0.10 0.00 0.00 66.02 65.74 2dxb s SER 45 CO -0.08 -0.83 1.90 0.00 0.98 0.00 0.00 173.24 175.21 2dxb h ALA 46 N 0.40 1.43 -0.27 5.32 0.00 -1.98 -2.32 119.26 121.83 2dxb h ALA 46 Ca -0.43 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 2dxb h ALA 46 Cb 1.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2dxb h ALA 46 CO 0.52 0.40 0.00 1.49 0.00 0.00 0.00 179.25 181.67 2dxb h GLU 47 N 0.45 0.48 -0.53 0.00 4.57 -1.99 -1.90 114.58 115.67 2dxb h GLU 47 Ca 0.10 -0.15 0.10 0.00 -1.18 0.00 0.00 59.36 58.22 2dxb h GLU 47 Cb 0.30 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.77 2dxb h GLU 47 CO 0.01 0.64 0.08 -0.44 -1.18 0.00 0.00 179.01 178.12 2dxb h ASP 48 N 0.26 -0.06 -0.55 1.04 3.32 -1.81 0.44 116.42 119.06 2dxb h ASP 48 Ca 0.08 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2dxb h ASP 48 Cb 0.42 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 2dxb h ASP 48 CO 0.01 -0.01 0.28 -0.74 -1.72 0.00 0.00 179.24 177.06 2dxb h HIS 49 N 0.21 0.79 -0.47 4.55 2.76 -1.31 0.13 115.15 121.80 2dxb h HIS 49 Ca 0.27 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.29 2dxb h HIS 49 Cb 0.39 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 2dxb h HIS 49 CO -0.26 0.60 -0.16 0.00 -1.30 0.00 0.00 177.93 176.82 2dxb h ARG 50 N 0.74 0.94 -0.76 5.26 3.08 -0.62 -1.99 114.38 121.04 2dxb h ARG 50 Ca 0.19 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2dxb h ARG 50 Cb 0.10 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 2dxb h ARG 50 CO -0.03 1.04 0.42 0.28 -1.07 0.00 0.00 179.97 180.61 2dxb h VAL 51 N 0.79 1.23 -0.30 2.04 2.07 0.20 -0.38 116.25 121.89 2dxb h VAL 51 Ca 0.11 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 2dxb h VAL 51 Cb 0.72 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2dxb h VAL 51 CO 0.05 0.25 -0.05 -0.25 0.02 0.00 0.00 177.57 177.60 2dxb h TRP 52 N 1.04 0.62 -0.52 1.57 2.91 -0.58 -1.43 115.95 119.57 2dxb h TRP 52 Ca 0.27 -0.13 -0.02 0.00 1.13 0.00 0.00 58.89 60.14 2dxb h TRP 52 Cb 0.03 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 28.50 2dxb h TRP 52 CO -0.00 0.73 0.23 0.87 -1.03 0.00 0.00 178.44 179.25 2dxb h LYS 53 N 0.34 0.73 -0.61 2.65 1.57 -1.15 -0.31 116.57 119.79 2dxb h LYS 53 Ca 0.08 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 2dxb h LYS 53 Cb 0.52 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2dxb h LYS 53 CO 0.02 0.58 0.01 -0.44 -0.57 0.00 0.00 179.45 179.06 2dxb h ASP 54 N 0.73 1.05 0.03 0.86 3.32 -0.82 -1.48 116.42 120.11 2dxb h ASP 54 Ca 0.18 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 2dxb h ASP 54 Cb 0.10 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2dxb h ASP 54 CO -0.02 1.09 -0.02 0.22 -1.72 0.00 0.00 179.24 178.80 2dxb h TYR 55 N 0.97 -0.04 -0.92 4.55 3.20 -0.30 -2.30 116.97 122.13 2dxb h TYR 55 Ca 0.17 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.16 2dxb h TYR 55 Cb 0.55 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 2dxb h TYR 55 CO 0.04 0.05 0.59 0.28 -1.64 0.00 0.00 178.16 177.48 2dxb h VAL 56 N -0.12 0.92 0.00 1.81 2.07 -0.96 0.01 116.25 119.97 2dxb h VAL 56 Ca -0.00 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2dxb h VAL 56 Cb 0.11 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 2dxb h VAL 56 CO 0.01 0.16 -0.10 -0.74 0.02 0.00 0.00 177.57 176.91 2dxb h HIS 57 N 0.87 0.00 0.00 1.57 -0.00 -0.71 -1.99 115.15 114.89 2dxb h HIS 57 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.81 2dxb h HIS 57 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2dxb h HIS 57 CO -0.00 0.10 -0.25 0.25 -0.00 0.00 0.00 177.93 178.03 2dxb n THR 58 N -3.71 0.02 -2.53 6.26 -2.24 -0.02 -4.91 114.28 107.15 2dxb n THR 58 Ca -0.02 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.42 2dxb n THR 58 Cb 0.21 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 2dxb n THR 58 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2dxb s LEU 59 N -3.07 3.76 -0.10 3.22 1.43 -0.75 -5.05 118.68 118.12 2dxb s LEU 59 Ca 0.12 1.70 -0.31 0.00 -1.03 0.00 0.00 54.13 54.61 2dxb s LEU 59 Cb 0.18 -4.53 0.11 0.00 0.03 0.00 0.00 46.19 41.98 2dxb s LEU 59 CO 0.61 -0.61 1.39 -0.83 0.23 0.00 0.00 176.35 177.14 2dxb s GLY 60 N -2.53 -0.28 0.00 -3.19 0.00 -1.26 -4.78 107.32 95.27 2dxb s GLY 60 Ca 0.62 0.33 0.30 0.00 0.00 0.00 0.00 44.72 45.97 2dxb s GLY 60 CO 0.24 5.57 1.98 -1.55 0.00 0.00 0.00 173.10 179.33 2dxb n PRO 61 N -0.89 0.45 -0.06 2.90 -0.04 -0.99 -3.39 135.00 132.98 2dxb n PRO 61 Ca 0.03 -0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 2dxb n PRO 61 Cb 0.59 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 2dxb n PRO 61 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2dxb h LEU 62 N 0.14 0.17 -0.80 1.53 3.38 -1.88 -1.44 115.31 116.40 2dxb h LEU 62 Ca 0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2dxb h LEU 62 Cb 0.32 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2dxb h LEU 62 CO 0.00 0.14 0.51 -0.65 0.09 0.00 0.00 178.44 178.52 2dxb h PRO 63 N 0.26 0.94 -0.56 1.13 0.11 -1.74 0.10 132.00 132.23 2dxb h PRO 63 Ca 0.11 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.08 2dxb h PRO 63 Cb 0.04 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.91 2dxb h PRO 63 CO -0.08 0.62 0.05 0.00 -0.21 0.00 0.00 178.00 178.38 2dxb h ALA 64 N 1.35 0.75 -0.57 -0.75 0.00 -1.27 -0.44 119.26 118.34 2dxb h ALA 64 Ca 0.33 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2dxb h ALA 64 Cb 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2dxb h ALA 64 CO -0.13 0.54 0.14 0.00 0.00 0.00 0.00 179.25 179.80 2dxb h ALA 65 N 0.98 1.18 -0.63 0.00 0.00 -0.86 -1.98 119.26 117.95 2dxb h ALA 65 Ca 0.17 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2dxb h ALA 65 Cb 0.48 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2dxb h ALA 65 CO 0.02 0.56 0.13 -0.09 0.00 0.00 0.00 179.25 179.87 2dxb h ARG 66 N 0.84 1.01 -0.58 0.00 9.65 -0.55 -1.54 114.38 123.21 2dxb h ARG 66 Ca 0.18 -0.24 -0.07 0.00 -1.10 0.00 0.00 59.98 58.76 2dxb h ARG 66 Cb 0.30 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 2dxb h ARG 66 CO -0.00 0.91 0.11 1.25 2.80 0.00 0.00 179.97 185.04 2dxb h LEU 67 N 0.96 0.91 -0.38 3.80 6.46 -0.45 -1.55 115.31 125.06 2dxb h LEU 67 Ca 0.20 -0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 2dxb h LEU 67 Cb 0.37 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 2dxb h LEU 67 CO 0.01 0.93 0.15 0.58 -0.62 0.00 0.00 178.44 179.49 2dxb h VAL 68 N 0.85 1.20 -0.58 1.05 2.07 -1.05 -0.97 116.25 118.82 2dxb h VAL 68 Ca 0.18 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2dxb h VAL 68 Cb 0.40 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2dxb h VAL 68 CO 0.01 0.22 0.31 0.00 0.02 0.00 0.00 177.57 178.12 2dxb h ALA 69 N 0.99 0.74 -0.24 1.67 0.00 -1.15 -0.74 119.26 120.54 2dxb h ALA 69 Ca 0.13 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2dxb h ALA 69 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2dxb h ALA 69 CO -0.01 0.27 -0.12 0.87 0.00 0.00 0.00 179.25 180.27 2dxb h LYS 70 N 0.78 0.39 -0.43 0.00 1.57 -1.11 -2.03 116.57 115.73 2dxb h LYS 70 Ca 0.20 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 2dxb h LYS 70 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2dxb h LYS 70 CO -0.03 0.51 -0.30 0.00 -0.57 0.00 0.00 179.45 179.06 2dxb h ALA 71 N 1.52 0.64 -0.16 3.86 0.00 -0.53 -1.19 119.26 123.41 2dxb h ALA 71 Ca 0.07 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2dxb h ALA 71 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2dxb h ALA 71 CO 0.02 0.68 -0.17 -1.49 0.00 0.00 0.00 179.25 178.29 2dxb h TRP 72 N 0.81 0.28 -0.01 0.00 6.55 -0.76 -3.00 115.95 119.82 2dxb h TRP 72 Ca 0.09 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.89 2dxb h TRP 72 Cb 0.88 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 29.11 2dxb h TRP 72 CO 0.06 0.43 -0.28 1.28 -1.05 0.00 0.00 178.44 178.88 2dxb n LEU 73 N -4.23 1.67 -3.44 -4.49 4.77 -0.80 -4.76 117.00 105.72 2dxb n LEU 73 Ca -0.01 -0.55 -0.21 0.00 -0.03 0.00 0.00 56.01 55.21 2dxb n LEU 73 Cb 0.30 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 2dxb n LEU 73 CO 0.39 0.30 -0.23 -0.62 -1.33 0.00 0.00 177.39 175.90 2dxb s ASP 74 N -2.37 2.22 0.42 -1.43 -1.08 -0.47 -5.02 116.67 108.93 2dxb s ASP 74 Ca 0.24 -1.09 0.17 0.00 -0.52 0.00 0.00 52.55 51.35 2dxb s ASP 74 Cb 0.19 0.22 1.06 0.00 -1.46 0.00 0.00 42.92 42.93 2dxb s ASP 74 CO 0.49 -0.38 1.87 -0.65 0.52 0.00 0.00 175.17 177.02 2dxb h PRO 75 N 8.09 0.41 -0.24 4.34 0.11 -1.86 -0.49 132.00 142.36 2dxb h PRO 75 Ca -0.12 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.78 2dxb h PRO 75 Cb 1.05 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 2dxb h PRO 75 CO 0.34 0.27 -0.58 0.93 -0.21 0.00 0.00 178.00 178.76 2dxb h GLU 76 N 0.42 0.76 -0.60 1.05 4.39 -1.95 -2.44 114.58 116.22 2dxb h GLU 76 Ca 0.45 -0.50 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 2dxb h GLU 76 Cb 1.08 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 2dxb h GLU 76 CO -0.17 1.13 0.00 -0.92 -1.16 0.00 0.00 179.01 177.89 2dxb h TYR 77 N 0.58 1.15 -0.69 4.33 3.20 -1.56 -2.49 116.97 121.49 2dxb h TYR 77 Ca 0.00 -0.20 0.06 0.00 3.14 0.00 0.00 58.73 61.74 2dxb h TYR 77 Cb 1.17 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 39.08 2dxb h TYR 77 CO 0.07 1.01 0.39 -0.22 -1.64 0.00 0.00 178.16 177.76 2dxb h LYS 78 N 0.95 0.69 -0.76 1.82 3.64 -1.02 -0.05 116.57 121.84 2dxb h LYS 78 Ca 0.17 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2dxb h LYS 78 Cb 0.56 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 2dxb h LYS 78 CO 0.03 0.45 0.50 0.87 -2.27 0.00 0.00 179.45 179.03 2dxb h LYS 79 N 0.71 0.98 -0.72 1.90 1.57 -1.15 -1.08 116.57 118.78 2dxb h LYS 79 Ca 0.31 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2dxb h LYS 79 Cb 0.20 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 2dxb h LYS 79 CO -0.19 0.65 0.46 1.25 -0.57 0.00 0.00 179.45 181.05 2dxb h LEU 80 N 1.01 0.83 -0.15 2.94 5.85 -0.80 -1.59 115.31 123.41 2dxb h LEU 80 Ca 0.28 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.98 2dxb h LEU 80 Cb -0.09 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 2dxb h LEU 80 CO -0.07 0.62 0.07 0.00 -0.34 0.00 0.00 178.44 178.71 2dxb h ILE 82 N 0.15 1.24 0.04 0.00 1.08 -0.94 -3.15 117.51 115.93 2dxb h ILE 82 Ca 0.06 -0.68 -0.32 0.00 -0.39 0.00 0.00 64.86 63.53 2dxb h ILE 82 Cb 0.02 0.22 -0.04 0.00 -3.07 0.00 0.00 36.82 33.95 2dxb h ILE 82 CO -0.05 0.29 -1.87 1.21 -0.69 0.00 0.00 178.15 177.04 2dxb n GLU 83 N -4.32 0.68 -3.29 2.37 4.07 -0.62 -4.71 120.64 114.82 2dxb n GLU 83 Ca 0.08 0.26 -0.24 0.00 -0.06 0.00 0.00 57.16 57.20 2dxb n GLU 83 Cb 0.13 -1.74 -0.08 0.00 -0.06 0.00 0.00 31.44 29.69 2dxb n GLU 83 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2dxb n ASP 84 N -3.17 -0.86 -0.27 4.31 -0.08 0.23 -5.00 116.55 111.71 2dxb n ASP 84 Ca -0.24 -2.47 0.04 0.00 -1.51 0.00 0.00 54.79 50.61 2dxb n ASP 84 Cb 1.06 -0.24 0.18 0.00 2.34 0.00 0.00 41.12 44.46 2dxb n ASP 84 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2dxb h GLY 85 N 5.43 1.22 0.82 0.27 0.00 -1.52 -1.66 103.07 107.63 2dxb h GLY 85 Ca 0.23 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.34 2dxb h GLY 85 CO 0.33 0.01 -0.03 -2.08 0.00 0.00 0.00 176.54 174.78 2dxb h VAL 86 N 0.62 0.90 -0.45 4.60 2.07 -1.90 0.11 116.25 122.20 2dxb h VAL 86 Ca 0.41 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.92 2dxb h VAL 86 Cb 0.50 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2dxb h VAL 86 CO -0.32 0.00 0.24 -0.08 0.02 0.00 0.00 177.57 177.43 2dxb h GLU 87 N -0.01 0.63 -0.58 1.57 4.57 -1.84 -2.74 114.58 116.17 2dxb h GLU 87 Ca 0.04 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2dxb h GLU 87 Cb 0.07 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 2dxb h GLU 87 CO -0.09 0.50 0.29 0.00 -1.18 0.00 0.00 179.01 178.53 2dxb h ALA 88 N 1.09 1.42 -0.12 2.92 0.00 -0.98 -2.49 119.26 121.09 2dxb h ALA 88 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2dxb h ALA 88 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2dxb h ALA 88 CO -0.02 0.47 0.10 1.03 0.00 0.00 0.00 179.25 180.82 2dxb h SER 89 N 0.82 0.00 -0.27 0.00 0.87 -0.48 -1.85 113.55 112.65 2dxb h SER 89 Ca 0.20 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2dxb h SER 89 Cb 0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2dxb h SER 89 CO -0.03 0.00 0.16 0.11 -0.53 0.00 0.00 176.83 176.54 2dxb h LYS 90 N 0.00 0.39 0.00 2.24 1.57 -1.44 -1.80 116.57 117.53 2dxb h LYS 90 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2dxb h LYS 90 Cb 0.25 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2dxb h LYS 90 CO -0.00 0.28 0.00 0.00 -0.57 0.00 0.00 179.45 179.16 2dxb n ALA 91 N -2.49 1.32 -1.23 3.86 0.00 -0.69 -1.82 120.51 119.46 2dxb n ALA 91 Ca 0.01 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2dxb n ALA 91 Cb 0.09 -1.16 0.18 0.00 0.00 0.00 0.00 19.45 18.56 2dxb n ALA 91 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2dxb n VAL 92 N -1.65 2.07 -1.06 0.00 0.24 -0.70 -4.97 118.33 112.26 2dxb n VAL 92 Ca 0.01 -2.51 -0.02 0.00 -2.04 0.00 0.00 64.34 59.78 2dxb n VAL 92 Cb 0.09 -0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.21 2dxb n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dxb n GLY 93 N -1.23 0.55 2.98 7.63 0.00 -0.76 -4.82 105.19 109.54 2dxb n GLY 93 Ca 0.19 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 2dxb n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dxb s VAL 94 N -2.01 2.07 -0.47 1.61 1.01 -1.09 -5.01 120.40 116.50 2dxb s VAL 94 Ca 0.00 -2.20 -0.18 0.00 0.00 0.00 0.00 61.98 59.60 2dxb s VAL 94 Cb 0.00 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 33.90 2dxb s VAL 94 CO 0.00 -0.60 0.53 0.21 0.00 0.00 0.00 175.10 175.23 2dxb s ASN 95 N 1.01 6.20 0.64 3.32 3.84 -1.26 -3.32 114.94 125.38 2dxb s ASN 95 Ca 0.11 -0.91 0.31 0.00 0.21 0.00 0.00 52.86 52.58 2dxb s ASN 95 Cb -0.19 -2.25 1.69 0.00 -0.55 0.00 0.00 41.25 39.95 2dxb s ASN 95 CO -0.11 -0.75 1.98 -0.50 -2.79 0.00 0.00 177.10 174.94 2dxb h TRP 96 N 8.87 0.00 0.03 0.43 4.06 -1.94 0.25 115.95 127.64 2dxb h TRP 96 Ca -0.27 0.00 -0.35 0.00 2.06 0.00 0.00 58.89 60.32 2dxb h TRP 96 Cb 1.10 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.22 2dxb h TRP 96 CO 0.69 0.00 -1.99 0.28 -3.56 0.00 0.00 178.44 173.86 2dxb n VAL 97 N -3.17 1.58 0.63 1.49 0.31 -1.26 -3.68 118.33 114.23 2dxb n VAL 97 Ca 0.00 -0.35 0.10 0.00 -0.01 0.00 0.00 64.34 64.08 2dxb n VAL 97 Cb 0.39 -1.83 -0.13 0.00 -0.91 0.00 0.00 33.84 31.37 2dxb n VAL 97 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2dxb n THR 98 N -3.99 0.00 -0.13 2.52 -2.24 -1.04 -1.85 114.28 107.55 2dxb n THR 98 Ca -0.41 -0.17 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 2dxb n THR 98 Cb 0.87 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 69.76 2dxb n THR 98 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2dxb h SER 99 N 0.00 0.87 -4.17 3.42 0.02 -0.79 -3.44 113.55 109.45 2dxb h SER 99 Ca 0.00 -0.42 -0.51 0.00 -0.84 0.00 0.00 61.79 60.02 2dxb h SER 99 Cb 0.63 -0.24 0.10 0.00 0.14 0.00 0.00 62.40 63.02 2dxb h SER 99 CO 0.00 1.10 0.39 -2.84 -1.14 0.00 0.00 176.83 174.34 2dxb s PRO 100 N -4.57 2.90 0.41 3.45 0.02 -1.26 -4.93 135.00 131.01 2dxb s PRO 100 Ca -0.12 1.48 0.12 0.00 0.02 0.00 0.00 61.00 62.50 2dxb s PRO 100 Cb 0.10 -1.96 0.96 0.00 0.02 0.00 0.00 34.50 33.63 2dxb s PRO 100 CO 0.85 -1.19 1.94 -1.35 -0.33 0.00 0.00 177.00 176.92 2dxb h PRO 101 N 0.32 0.49 -0.41 5.54 0.11 -1.93 -2.90 132.00 133.22 2dxb h PRO 101 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2dxb h PRO 101 Cb 1.25 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2dxb h PRO 101 CO 0.55 0.33 0.23 1.79 -0.21 0.00 0.00 178.00 180.68 2dxb h THR 102 N 0.51 1.13 -0.02 -1.15 1.35 -1.91 -3.46 112.91 109.35 2dxb h THR 102 Ca 0.33 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.88 2dxb h THR 102 Cb 0.61 0.56 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2dxb h THR 102 CO -0.11 0.14 -0.01 0.00 -0.25 0.00 0.00 175.52 175.29 2dxb n GLN 103 N -4.44 -0.16 -1.15 4.72 1.13 -1.09 -4.82 117.38 111.57 2dxb n GLN 103 Ca 0.03 0.15 0.02 0.00 -1.94 0.00 0.00 57.00 55.26 2dxb n GLN 103 Cb 0.09 -3.37 0.01 0.00 0.11 0.00 0.00 30.24 27.09 2dxb n GLN 103 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 2dxb n PHE 104 N -2.92 0.00 0.00 1.08 1.16 -1.04 -4.67 117.46 111.06 2dxb n PHE 104 Ca -0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 57.45 55.24 2dxb n PHE 104 Cb 0.05 -0.09 0.00 0.00 -1.61 0.00 0.00 39.48 37.82 2dxb n PHE 104 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2dxb n GLY 105 N 0.32 -1.90 3.77 4.97 0.00 -0.77 -4.86 105.19 106.71 2dxb n GLY 105 Ca 0.03 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 2dxb n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dxb s THR 106 N -2.70 2.89 0.32 2.61 -4.23 -1.26 -4.70 115.64 108.56 2dxb s THR 106 Ca 0.00 0.64 -0.00 0.00 -1.18 0.00 0.00 61.69 61.14 2dxb s THR 106 Cb 0.00 -3.30 0.27 0.00 1.34 0.00 0.00 72.50 70.80 2dxb s THR 106 CO 0.00 -0.04 1.98 -0.65 -0.54 0.00 0.00 174.62 175.36 2dxb h PRO 107 N 1.68 1.00 0.00 3.99 0.11 -1.95 -2.56 132.00 134.26 2dxb h PRO 107 Ca -0.50 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.45 2dxb h PRO 107 Cb 1.26 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2dxb h PRO 107 CO 0.59 0.66 -1.34 0.43 -0.21 0.00 0.00 178.00 178.13 2dxb n SER 108 N -4.43 0.77 -0.00 -2.05 7.64 -1.26 -4.37 113.62 109.92 2dxb n SER 108 Ca 0.09 0.32 0.11 0.00 1.01 0.00 0.00 58.87 60.40 2dxb n SER 108 Cb 0.05 0.43 -0.15 0.00 -1.01 0.00 0.00 64.21 63.53 2dxb n SER 108 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dxb n ASP 109 N -2.76 0.35 -0.58 6.43 8.00 -1.22 -4.94 116.55 121.83 2dxb n ASP 109 Ca -0.07 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.10 2dxb n ASP 109 Cb 0.72 1.63 0.00 0.00 -0.02 0.00 0.00 41.12 43.46 2dxb n ASP 109 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2dxb n TYR 110 N -2.01 -1.57 -2.42 1.24 4.01 -0.97 -4.56 117.16 110.89 2dxb n TYR 110 Ca -0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.55 2dxb n TYR 110 Cb 0.49 0.26 0.02 0.00 -0.31 0.00 0.00 39.34 39.80 2dxb n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dxb n ASN 112 N -0.51 0.63 -4.73 0.00 2.85 -1.26 -4.92 115.26 107.32 2dxb n ASN 112 Ca 0.30 -2.73 -0.41 0.00 -0.11 0.00 0.00 54.58 51.63 2dxb n ASN 112 Cb 0.82 -0.63 -0.04 0.00 1.24 0.00 0.00 39.78 41.17 2dxb n ASN 112 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2dxb s LEU 113 N -1.00 4.46 -0.03 1.20 2.96 -1.26 -2.34 118.68 122.66 2dxb s LEU 113 Ca 0.34 1.67 0.07 0.00 -0.22 0.00 0.00 54.13 55.99 2dxb s LEU 113 Cb 0.11 -3.48 -0.02 0.00 0.50 0.00 0.00 46.19 43.31 2dxb s LEU 113 CO -0.13 -0.08 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.44 2dxb s ARG 114 N 0.18 2.19 -0.22 1.98 0.52 0.37 -3.18 118.95 120.79 2dxb s ARG 114 Ca 0.45 -0.89 -0.08 0.00 -0.52 0.00 0.00 55.73 54.70 2dxb s ARG 114 Cb -0.22 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 2dxb s ARG 114 CO 0.27 0.48 0.08 0.08 0.02 0.00 0.00 175.30 176.23 2dxb s VAL 115 N -0.43 4.69 -0.43 3.52 1.01 -1.25 -2.77 120.40 124.74 2dxb s VAL 115 Ca 0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 2dxb s VAL 115 Cb -0.11 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.14 2dxb s VAL 115 CO 0.01 0.39 0.36 -0.76 0.00 0.00 0.00 175.10 175.09 2dxb s LEU 116 N 1.01 5.19 -0.24 3.92 1.43 -0.45 -4.49 118.68 125.04 2dxb s LEU 116 Ca 0.05 -0.97 -0.24 0.00 -1.03 0.00 0.00 54.13 51.93 2dxb s LEU 116 Cb -0.14 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 2dxb s LEU 116 CO 0.03 -0.54 0.82 0.00 0.23 0.00 0.00 176.35 176.90 2dxb s ALA 117 N 1.79 3.65 0.76 4.21 0.00 -1.26 -0.68 121.76 130.22 2dxb s ALA 117 Ca 0.06 -0.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 2dxb s ALA 117 Cb -0.20 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.69 2dxb s ALA 117 CO 0.10 -0.93 1.09 -0.51 0.00 0.00 0.00 175.76 175.51 2dxb s ASP 118 N 1.35 4.83 0.30 0.00 1.01 -0.12 -4.93 116.67 119.11 2dxb s ASP 118 Ca 0.35 1.38 -0.07 0.00 0.71 0.00 0.00 52.55 54.91 2dxb s ASP 118 Cb -0.15 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.62 2dxb s ASP 118 CO 0.07 -1.76 0.48 -0.94 0.21 0.00 0.00 175.17 173.23 2dxb s SER 119 N -3.92 0.42 0.18 0.27 1.04 0.50 -4.59 113.70 107.59 2dxb s SER 119 Ca 0.60 -1.25 0.13 0.00 0.48 0.00 0.00 55.95 55.91 2dxb s SER 119 Cb -0.14 0.63 0.66 0.00 0.10 0.00 0.00 66.02 67.28 2dxb s SER 119 CO 0.54 -1.24 1.38 -2.65 0.98 0.00 0.00 173.24 172.25 2dxb n PRO 120 N -0.48 0.08 -0.03 4.02 -0.02 -1.26 -1.82 135.00 135.49 2dxb n PRO 120 Ca -0.01 0.56 0.03 0.00 -2.02 0.00 0.00 63.50 62.06 2dxb n PRO 120 Cb 0.62 -1.75 0.04 0.00 -0.02 0.00 0.00 33.50 32.38 2dxb n PRO 120 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2dxb n THR 121 N -1.92 1.12 -3.67 3.45 -2.24 -1.26 -4.88 114.28 104.88 2dxb n THR 121 Ca -0.01 -1.22 -0.09 0.00 -2.27 0.00 0.00 64.05 60.47 2dxb n THR 121 Cb 0.03 0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.52 2dxb n THR 121 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2dxb s LEU 122 N -1.38 -0.47 -0.08 3.22 2.96 -0.76 -1.43 118.68 120.75 2dxb s LEU 122 Ca 0.08 1.05 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 2dxb s LEU 122 Cb 0.07 1.53 0.02 0.00 0.50 0.00 0.00 46.19 48.31 2dxb s LEU 122 CO 0.01 -0.22 -0.11 -0.75 -1.32 0.00 0.00 176.35 173.96 2dxb s LYS 123 N 1.99 1.70 0.05 1.98 2.47 0.10 -0.37 119.74 127.66 2dxb s LYS 123 Ca -0.06 -0.39 0.01 0.00 -1.56 0.00 0.00 55.97 53.97 2dxb s LYS 123 Cb -0.10 -1.48 -0.04 0.00 -1.46 0.00 0.00 37.83 34.75 2dxb s LYS 123 CO -0.14 -0.05 0.13 -1.01 0.16 0.00 0.00 175.35 174.44 2dxb s HIS 124 N 0.92 3.34 -0.06 4.03 3.76 -1.26 -0.64 115.29 125.37 2dxb s HIS 124 Ca -0.10 0.18 -0.03 0.00 -0.15 0.00 0.00 55.06 54.96 2dxb s HIS 124 Cb -0.15 -1.70 0.03 0.00 1.11 0.00 0.00 32.58 31.87 2dxb s HIS 124 CO 0.01 0.56 0.15 0.54 -0.85 0.00 0.00 174.74 175.14 2dxb s VAL 125 N -1.39 -0.04 0.12 -0.90 0.11 -0.88 -4.47 120.40 112.95 2dxb s VAL 125 Ca 0.30 0.14 0.03 0.00 -2.93 0.00 0.00 61.98 59.52 2dxb s VAL 125 Cb -0.12 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 2dxb s VAL 125 CO 0.22 0.06 0.14 -0.69 -3.33 0.00 0.00 175.10 171.50 2dxb s VAL 126 N 0.91 4.71 0.19 2.04 1.01 -0.28 -1.33 120.40 127.65 2dxb s VAL 126 Ca -0.07 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 60.84 2dxb s VAL 126 Cb -0.09 -3.35 0.05 0.00 0.00 0.00 0.00 36.38 33.00 2dxb s VAL 126 CO -0.05 0.01 0.76 0.54 0.00 0.00 0.00 175.10 176.36 2dxb s VAL 127 N -1.59 0.00 -0.37 2.92 0.11 -0.60 -4.94 120.40 115.93 2dxb s VAL 127 Ca 0.31 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 2dxb s VAL 127 Cb -0.11 -1.64 0.13 0.00 -1.53 0.00 0.00 36.38 33.22 2dxb s VAL 127 CO 0.24 0.00 0.19 0.00 -3.33 0.00 0.00 175.10 172.20 2dxb h THR 129 N 5.54 0.88 0.10 0.00 1.35 -1.87 -3.36 112.91 115.54 2dxb h THR 129 Ca -0.03 -0.23 -0.26 0.00 -0.55 0.00 0.00 66.41 65.34 2dxb h THR 129 Cb 0.97 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2dxb h THR 129 CO 0.41 0.06 -1.19 -0.07 -0.25 0.00 0.00 175.52 174.48 2dxb h LEU 130 N 0.00 0.32 -9.61 3.87 3.38 -1.91 -3.47 115.31 107.90 2dxb h LEU 130 Ca -0.00 -0.35 -0.56 0.00 0.09 0.00 0.00 57.88 57.07 2dxb h LEU 130 Cb 0.13 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 2dxb h LEU 130 CO 0.01 1.27 -0.62 -0.94 0.09 0.00 0.00 178.44 178.25 2dxb s SER 132 N -7.04 4.54 0.00 -0.43 1.04 -1.26 -5.21 113.70 105.34 2dxb s SER 132 Ca -0.03 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2dxb s SER 132 Cb 0.08 -0.79 0.00 0.00 0.10 0.00 0.00 66.02 65.41 2dxb s SER 132 CO 0.87 -0.08 0.00 0.00 0.98 0.00 0.00 173.24 175.00 2dxb n TYR 134 N -0.95 0.00 -1.38 5.02 9.36 -1.26 -4.94 117.16 123.00 2dxb n TYR 134 Ca -0.05 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.78 2dxb n TYR 134 Cb 0.60 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.29 2dxb n TYR 134 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2dxb n PRO 135 N -1.05 3.26 -0.26 2.98 -0.04 -1.26 -4.80 135.00 133.83 2dxb n PRO 135 Ca 0.00 -2.24 0.06 0.00 -0.04 0.00 0.00 63.50 61.28 2dxb n PRO 135 Cb 0.00 -2.92 0.18 0.00 -0.04 0.00 0.00 33.50 30.72 2dxb n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dxb h ARG 136 N 5.49 0.16 -1.00 0.54 3.08 -1.94 -0.60 114.38 120.11 2dxb h ARG 136 Ca 0.75 -0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.97 2dxb h ARG 136 Cb 0.39 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.30 2dxb h ARG 136 CO 1.80 0.10 0.61 -1.35 -1.07 0.00 0.00 179.97 180.06 2dxb h PRO 137 N 0.16 0.77 0.00 0.04 0.11 -1.87 0.69 132.00 131.90 2dxb h PRO 137 Ca 0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2dxb h PRO 137 Cb 0.77 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.71 2dxb h PRO 137 CO -0.62 0.51 -1.23 1.51 -0.21 0.00 0.00 178.00 177.97 2dxb n ILE 138 N -4.75 0.00 0.01 4.15 3.06 -0.97 -4.68 119.36 116.18 2dxb n ILE 138 Ca 0.23 -0.25 0.01 0.00 -2.50 0.00 0.00 62.75 60.24 2dxb n ILE 138 Cb 0.54 0.56 -0.02 0.00 0.54 0.00 0.00 39.64 41.26 2dxb n ILE 138 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 2dxb n LEU 139 N -1.71 0.01 0.00 9.51 7.94 -0.27 -2.58 117.00 129.90 2dxb n LEU 139 Ca -0.00 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 2dxb n LEU 139 Cb 0.32 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.27 2dxb n LEU 139 CO 0.32 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.21 2dxb n GLY 140 N 2.20 -1.19 3.82 -3.96 0.00 0.22 -2.34 105.19 103.94 2dxb n GLY 140 Ca -0.00 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 2dxb n GLY 140 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dxb s GLN 141 N 0.00 4.24 0.50 1.61 2.00 -1.26 -3.86 119.66 122.89 2dxb s GLN 141 Ca 0.00 0.89 -0.21 0.00 -2.00 0.00 0.00 55.36 54.04 2dxb s GLN 141 Cb 0.00 -2.77 -0.07 0.00 0.80 0.00 0.00 33.01 30.97 2dxb s GLN 141 CO 0.00 0.33 1.14 -1.54 -0.50 0.00 0.00 175.29 174.72 2dxb s SER 142 N -1.77 5.99 0.70 6.67 1.04 -1.26 -5.02 113.70 120.05 2dxb s SER 142 Ca 0.46 2.23 -0.14 0.00 0.48 0.00 0.00 55.95 58.98 2dxb s SER 142 Cb -0.16 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.39 2dxb s SER 142 CO 0.20 -1.04 1.12 -2.84 0.98 0.00 0.00 173.24 171.67 2dxb s PRO 143 N -2.98 2.54 0.17 4.02 0.02 -1.26 -4.94 135.00 132.57 2dxb s PRO 143 Ca 0.68 1.42 -0.15 0.00 0.02 0.00 0.00 61.00 62.97 2dxb s PRO 143 Cb -0.26 -1.91 0.05 0.00 0.02 0.00 0.00 34.50 32.39 2dxb s PRO 143 CO 0.30 -1.46 1.82 1.49 -0.33 0.00 0.00 177.00 178.83 2dxb h GLU 144 N -0.27 0.64 0.00 5.54 4.57 -2.00 -2.60 114.58 120.46 2dxb h GLU 144 Ca -0.46 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 57.63 2dxb h GLU 144 Cb 1.25 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 2dxb h GLU 144 CO 0.52 0.43 -0.20 0.11 -1.18 0.00 0.00 179.01 178.69 2dxb h TRP 145 N 0.66 0.00 0.00 0.92 5.08 -1.97 -2.07 115.95 118.56 2dxb h TRP 145 Ca 0.18 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.10 2dxb h TRP 145 Cb -0.06 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.09 2dxb h TRP 145 CO -0.04 0.20 -0.23 -0.92 -1.28 0.00 0.00 178.44 176.18 2dxb h TYR 146 N 0.00 0.00 0.00 0.12 3.20 -1.83 -2.13 116.97 116.33 2dxb h TYR 146 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2dxb h TYR 146 Cb 0.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 2dxb h TYR 146 CO 0.00 0.23 -0.36 0.54 -1.64 0.00 0.00 178.16 176.93 2dxb n ARG 147 N -4.17 0.28 -2.00 1.82 1.74 -0.80 -4.69 116.66 108.83 2dxb n ARG 147 Ca -0.02 0.14 -0.40 0.00 -0.77 0.00 0.00 57.85 56.80 2dxb n ARG 147 Cb 0.29 -1.74 -0.01 0.00 -1.02 0.00 0.00 32.46 29.98 2dxb n ARG 147 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2dxb s SER 148 N -4.37 6.40 0.37 0.55 1.04 -0.80 -4.91 113.70 111.98 2dxb s SER 148 Ca 0.08 2.76 0.07 0.00 0.48 0.00 0.00 55.95 59.34 2dxb s SER 148 Cb 0.13 -2.65 0.79 0.00 0.10 0.00 0.00 66.02 64.39 2dxb s SER 148 CO 0.67 -0.80 1.96 -0.65 0.98 0.00 0.00 173.24 175.40 2dxb h PRO 149 N 2.89 0.68 0.13 4.02 0.11 -1.92 -1.88 132.00 136.03 2dxb h PRO 149 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2dxb h PRO 149 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2dxb h PRO 149 CO 0.63 0.45 -0.12 -0.97 -0.21 0.00 0.00 178.00 177.78 2dxb h ASN 150 N 0.70 -0.33 -0.62 -2.05 -0.73 -1.91 0.90 115.58 111.54 2dxb h ASN 150 Ca 0.31 0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.43 2dxb h ASN 150 Cb 0.31 0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.99 2dxb h ASN 150 CO -0.10 -0.19 0.08 0.22 -0.37 0.00 0.00 177.43 177.06 2dxb h TYR 151 N -0.28 1.12 0.00 0.67 3.20 -1.70 -1.85 116.97 118.13 2dxb h TYR 151 Ca 0.00 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 2dxb h TYR 151 Cb 0.26 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 2dxb h TYR 151 CO -0.12 0.96 -0.13 0.00 -1.64 0.00 0.00 178.16 177.23 2dxb h ARG 152 N 0.95 0.00 0.12 1.82 3.08 -1.10 -2.34 114.38 116.92 2dxb h ARG 152 Ca 0.19 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.92 2dxb h ARG 152 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2dxb h ARG 152 CO 0.02 0.13 -1.62 0.00 -1.07 0.00 0.00 179.97 177.43 2dxb h ARG 153 N 0.00 0.26 0.11 0.04 3.08 -0.50 -3.43 114.38 113.94 2dxb h ARG 153 Ca -0.00 -0.44 -0.32 0.00 0.07 0.00 0.00 59.98 59.28 2dxb h ARG 153 Cb 0.46 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2dxb h ARG 153 CO 0.02 1.21 -1.69 0.00 -1.07 0.00 0.00 179.97 178.44 2dxb h ARG 154 N -0.19 0.24 -0.43 0.04 3.08 -1.30 -3.41 114.38 112.41 2dxb h ARG 154 Ca -0.35 -0.41 0.07 0.00 0.07 0.00 0.00 59.98 59.36 2dxb h ARG 154 Cb 1.86 0.15 -0.06 0.00 0.08 0.00 0.00 29.97 32.00 2dxb h ARG 154 CO 0.07 1.08 0.05 1.25 -1.07 0.00 0.00 179.97 181.35 2dxb h LEU 155 N 0.07 -0.06 -2.19 3.04 5.85 -1.66 0.12 115.31 120.47 2dxb h LEU 155 Ca -0.30 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 2dxb h LEU 155 Cb 2.03 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 43.19 2dxb h LEU 155 CO 0.14 0.00 -0.04 -0.37 -0.34 0.00 0.00 178.44 177.83 2dxb h VAL 156 N 0.17 0.20 0.00 1.05 -1.51 -1.83 -2.47 116.25 111.86 2dxb h VAL 156 Ca 0.21 -0.32 -0.24 0.00 -1.23 0.00 0.00 66.70 65.12 2dxb h VAL 156 Cb 0.28 1.26 -0.05 0.00 -2.13 0.00 0.00 31.29 30.66 2dxb h VAL 156 CO -0.31 0.04 -1.92 -1.14 -1.23 0.00 0.00 177.57 173.01 2dxb n ARG 157 N -3.29 1.34 -2.71 5.19 0.63 -0.86 -4.73 116.66 112.22 2dxb n ARG 157 Ca -0.02 0.03 -0.21 0.00 -0.92 0.00 0.00 57.85 56.74 2dxb n ARG 157 Cb 0.19 -1.34 -0.00 0.00 0.45 0.00 0.00 32.46 31.76 2dxb n ARG 157 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 2dxb n TRP 158 N -2.67 2.44 -0.28 -0.14 8.01 0.37 -4.94 117.44 120.24 2dxb n TRP 158 Ca -0.24 -3.27 0.02 0.00 -1.31 0.00 0.00 57.50 52.70 2dxb n TRP 158 Cb 0.89 -0.29 0.16 0.00 -2.01 0.00 0.00 31.31 30.06 2dxb n TRP 158 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2dxb h PRO 159 N 2.83 0.71 -0.84 -0.99 0.13 -1.59 -1.18 132.00 131.07 2dxb h PRO 159 Ca 0.13 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 65.25 2dxb h PRO 159 Cb 0.93 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 31.85 2dxb h PRO 159 CO 0.70 0.47 0.54 0.00 -0.23 0.00 0.00 178.00 179.47 2dxb h ARG 160 N 0.73 1.01 -0.04 0.86 2.47 -1.92 0.75 114.38 118.24 2dxb h ARG 160 Ca 0.38 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 59.02 2dxb h ARG 160 Cb 0.36 -0.23 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 2dxb h ARG 160 CO -0.25 0.67 -0.03 1.96 0.56 0.00 0.00 179.97 182.88 2dxb h GLN 161 N 1.04 0.09 -0.47 0.04 7.50 -1.79 -1.98 115.11 119.55 2dxb h GLN 161 Ca 0.34 -0.04 0.02 0.00 0.50 0.00 0.00 58.65 59.46 2dxb h GLN 161 Cb 0.03 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.53 2dxb h GLN 161 CO -0.12 0.53 0.29 0.28 -1.50 0.00 0.00 178.83 178.30 2dxb h VAL 162 N -0.35 1.07 -0.82 -0.54 2.07 -1.03 -2.09 116.25 114.56 2dxb h VAL 162 Ca 0.01 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2dxb h VAL 162 Cb 0.51 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2dxb h VAL 162 CO 0.01 0.11 0.41 -0.07 0.02 0.00 0.00 177.57 178.04 2dxb h LEU 163 N 0.58 1.07 -1.44 2.57 3.38 -0.88 -2.07 115.31 118.52 2dxb h LEU 163 Ca 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2dxb h LEU 163 Cb -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2dxb h LEU 163 CO -0.07 0.89 0.16 0.00 0.09 0.00 0.00 178.44 179.52 2dxb h ALA 164 N 1.22 1.56 -0.06 1.53 0.00 -0.96 0.89 119.26 123.44 2dxb h ALA 164 Ca 0.28 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2dxb h ALA 164 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2dxb h ALA 164 CO -0.04 0.35 -0.20 0.93 0.00 0.00 0.00 179.25 180.29 2dxb h GLU 165 N 0.54 0.10 -0.00 0.00 5.08 -0.70 0.54 114.58 120.14 2dxb h GLU 165 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2dxb h GLU 165 Cb 0.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2dxb h GLU 165 CO -0.02 0.30 -0.07 1.19 -1.00 0.00 0.00 179.01 179.42 2dxb n PHE 166 N -4.26 0.00 -0.62 4.33 3.72 0.08 -4.90 117.46 115.81 2dxb n PHE 166 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2dxb n PHE 166 Cb 0.28 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2dxb n PHE 166 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dxb n GLY 167 N 1.24 0.62 3.35 1.37 0.00 0.18 -4.95 105.19 107.00 2dxb n GLY 167 Ca 0.16 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 2dxb n GLY 167 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dxb s LEU 168 N 0.00 2.56 -0.02 0.99 2.96 0.07 -4.96 118.68 120.28 2dxb s LEU 168 Ca 0.00 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2dxb s LEU 168 Cb 0.00 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.16 2dxb s LEU 168 CO 0.00 0.19 0.05 -1.58 -1.32 0.00 0.00 176.35 173.69 2dxb s GLN 169 N 0.21 0.01 0.21 1.98 0.74 -1.26 -2.34 119.66 119.20 2dxb s GLN 169 Ca -0.10 0.16 0.11 0.00 0.05 0.00 0.00 55.36 55.59 2dxb s GLN 169 Cb -0.16 -0.13 -0.04 0.00 1.10 0.00 0.00 33.01 33.78 2dxb s GLN 169 CO 0.06 -0.10 -0.23 -0.51 -0.55 0.00 0.00 175.29 173.96 2dxb s LEU 170 N 0.67 2.48 0.54 3.68 2.01 -1.26 -5.11 118.68 121.69 2dxb s LEU 170 Ca -0.05 -0.88 -0.20 0.00 0.01 0.00 0.00 54.13 53.00 2dxb s LEU 170 Cb -0.08 -1.18 -0.07 0.00 0.01 0.00 0.00 46.19 44.87 2dxb s LEU 170 CO -0.02 0.11 0.99 -2.65 1.01 0.00 0.00 176.35 175.79 2dxb n PRO 171 N 0.13 1.10 0.24 1.29 -0.02 -1.26 -4.86 135.00 131.62 2dxb n PRO 171 Ca -0.11 0.41 0.07 0.00 -2.02 0.00 0.00 63.50 61.85 2dxb n PRO 171 Cb 0.57 -2.15 0.58 0.00 -0.02 0.00 0.00 33.50 32.48 2dxb n PRO 171 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2dxb h SER 172 N 0.90 0.00 1.11 2.55 4.64 -2.04 -1.96 113.55 118.75 2dxb h SER 172 Ca -0.47 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.80 2dxb h SER 172 Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 2dxb h SER 172 CO 0.53 0.12 -0.20 1.05 -0.87 0.00 0.00 176.83 177.46 2dxb h GLU 173 N 0.00 0.00 -6.72 4.77 9.09 -2.01 -3.44 114.58 116.27 2dxb h GLU 173 Ca -0.00 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.88 2dxb h GLU 173 Cb 0.23 0.00 0.04 0.00 -1.65 0.00 0.00 28.75 27.37 2dxb h GLU 173 CO 0.02 0.20 0.69 0.08 0.05 0.00 0.00 179.01 180.05 2dxb s VAL 174 N -3.53 2.98 -0.42 -1.06 1.01 -0.74 -4.96 120.40 113.69 2dxb s VAL 174 Ca 0.02 0.82 -0.29 0.00 0.00 0.00 0.00 61.98 62.53 2dxb s VAL 174 Cb 0.09 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.96 2dxb s VAL 174 CO 0.64 0.13 1.28 -1.58 0.00 0.00 0.00 175.10 175.58 2dxb s GLN 175 N -0.33 3.69 -0.26 2.72 0.74 -0.51 -4.92 119.66 120.80 2dxb s GLN 175 Ca 0.57 0.85 -0.19 0.00 0.05 0.00 0.00 55.36 56.64 2dxb s GLN 175 Cb -0.39 -3.95 -0.02 0.00 1.10 0.00 0.00 33.01 29.75 2dxb s GLN 175 CO 0.41 -1.41 0.56 0.42 -0.55 0.00 0.00 175.29 174.72 2dxb s ILE 176 N 4.87 5.04 -0.19 -2.34 -1.09 -1.26 -0.72 121.20 125.50 2dxb s ILE 176 Ca 0.55 0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 59.94 2dxb s ILE 176 Cb -0.12 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 2dxb s ILE 176 CO 0.30 0.06 -0.12 -0.60 -1.23 0.00 0.00 174.94 173.36 2dxb s ARG 177 N 2.37 3.23 -0.14 2.79 3.52 0.18 -4.96 118.95 125.95 2dxb s ARG 177 Ca 0.23 -0.72 -0.17 0.00 -0.13 0.00 0.00 55.73 54.95 2dxb s ARG 177 Cb -0.16 -2.77 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 2dxb s ARG 177 CO 0.09 -0.13 0.43 0.08 -0.81 0.00 0.00 175.30 174.96 2dxb s VAL 178 N 1.21 5.21 -0.24 7.11 1.01 -1.26 -2.08 120.40 131.36 2dxb s VAL 178 Ca 0.02 0.85 -0.07 0.00 0.00 0.00 0.00 61.98 62.78 2dxb s VAL 178 Cb -0.14 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2dxb s VAL 178 CO -0.05 0.33 0.06 0.00 0.00 0.00 0.00 175.10 175.44 2dxb s ALA 179 N 0.69 3.14 -0.41 5.51 0.00 -0.44 -4.97 121.76 125.28 2dxb s ALA 179 Ca 0.23 -1.12 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 2dxb s ALA 179 Cb -0.15 -2.04 0.04 0.00 0.00 0.00 0.00 23.12 20.98 2dxb s ALA 179 CO 0.09 -0.45 0.27 0.34 0.00 0.00 0.00 175.76 176.00 2dxb s ASP 180 N 1.55 5.87 -1.28 0.00 -1.08 -1.26 -1.56 116.67 118.92 2dxb s ASP 180 Ca 0.06 -1.13 -0.18 0.00 -0.52 0.00 0.00 52.55 50.79 2dxb s ASP 180 Cb -0.15 -2.07 0.01 0.00 -1.46 0.00 0.00 42.92 39.25 2dxb s ASP 180 CO 0.03 -0.47 1.95 -1.20 0.52 0.00 0.00 175.17 176.00 2dxb n SER 181 N 5.05 4.05 -0.34 -0.34 7.64 0.53 -4.71 113.62 125.51 2dxb n SER 181 Ca -0.11 -2.84 0.12 0.00 1.01 0.00 0.00 58.87 57.05 2dxb n SER 181 Cb 0.45 -1.64 0.20 0.00 -1.01 0.00 0.00 64.21 62.21 2dxb n SER 181 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2dxb n ASN 182 N 8.30 1.44 0.00 6.43 6.94 -1.26 -4.73 115.26 132.37 2dxb n ASN 182 Ca 0.50 -1.15 0.00 0.00 -0.02 0.00 0.00 54.58 53.91 2dxb n ASN 182 Cb 0.43 0.30 0.00 0.00 -2.36 0.00 0.00 39.78 38.15 2dxb n ASN 182 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dxb n GLN 183 N -0.41 1.11 0.00 -3.83 1.13 -1.26 -5.03 117.38 109.09 2dxb n GLN 183 Ca 0.11 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.30 2dxb n GLN 183 Cb 0.40 0.00 0.43 0.00 0.11 0.00 0.00 30.24 31.17 2dxb n GLN 183 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2dxb n LYS 184 N 0.00 1.04 -3.11 -1.09 5.02 -1.26 -4.90 118.16 113.86 2dxb n LYS 184 Ca 0.00 -0.60 -0.38 0.00 -2.02 0.00 0.00 58.31 55.32 2dxb n LYS 184 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 2dxb n LYS 184 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2dxb s THR 185 N -2.38 4.55 0.06 -0.18 2.01 -1.26 -4.29 115.64 114.16 2dxb s THR 185 Ca 0.28 1.38 0.08 0.00 0.31 0.00 0.00 61.69 63.74 2dxb s THR 185 Cb 0.20 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2dxb s THR 185 CO 0.47 0.38 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.43 2dxb s ARG 186 N -1.53 1.40 0.19 4.92 1.81 -0.99 -4.76 118.95 119.99 2dxb s ARG 186 Ca 0.37 -1.05 0.09 0.00 -1.72 0.00 0.00 55.73 53.43 2dxb s ARG 186 Cb -0.19 -1.59 -0.04 0.00 -0.45 0.00 0.00 34.95 32.68 2dxb s ARG 186 CO 0.22 0.40 -0.19 0.71 -0.68 0.00 0.00 175.30 175.75 2dxb s TYR 187 N -0.90 1.97 0.01 -0.53 2.02 -1.26 -0.48 117.35 118.18 2dxb s TYR 187 Ca 0.08 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 2dxb s TYR 187 Cb -0.09 -0.95 -0.01 0.00 -0.40 0.00 0.00 41.96 40.50 2dxb s TYR 187 CO 0.03 0.42 -0.04 0.96 -1.57 0.00 0.00 175.55 175.34 2dxb s ILE 188 N -2.12 0.30 -0.16 2.71 -4.36 -1.12 -4.56 121.20 111.90 2dxb s ILE 188 Ca 0.19 -0.50 -0.13 0.00 -0.26 0.00 0.00 60.65 59.95 2dxb s ILE 188 Cb -0.06 -0.33 -0.05 0.00 1.25 0.00 0.00 42.46 43.28 2dxb s ILE 188 CO 0.08 -0.13 0.26 -0.69 0.24 0.00 0.00 174.94 174.70 2dxb s VAL 189 N -0.62 5.33 -0.56 8.37 1.01 0.01 -1.34 120.40 132.60 2dxb s VAL 189 Ca -0.04 0.47 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 2dxb s VAL 189 Cb -0.05 -3.60 0.14 0.00 0.00 0.00 0.00 36.38 32.87 2dxb s VAL 189 CO -0.00 0.41 0.51 -0.32 0.00 0.00 0.00 175.10 175.70 2dxb s MET 190 N 0.37 2.99 0.94 2.72 1.75 0.15 -4.44 119.30 123.79 2dxb s MET 190 Ca 0.15 -1.80 -0.12 0.00 -1.25 0.00 0.00 55.69 52.67 2dxb s MET 190 Cb -0.13 -4.27 0.16 0.00 2.84 0.00 0.00 34.83 33.43 2dxb s MET 190 CO 0.03 -1.31 1.09 -2.14 -0.65 0.00 0.00 175.02 172.04 2dxb s PRO 191 N 1.41 0.88 0.40 4.11 0.02 -1.26 -0.94 135.00 139.62 2dxb s PRO 191 Ca 0.05 0.83 -0.24 0.00 0.02 0.00 0.00 61.00 61.66 2dxb s PRO 191 Cb -0.27 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 2dxb s PRO 191 CO 0.01 -2.50 1.05 0.08 -0.33 0.00 0.00 177.00 175.31 2dxb s VAL 192 N -2.87 3.75 0.04 3.83 1.01 -1.26 -4.74 120.40 120.16 2dxb s VAL 192 Ca 0.64 1.34 -0.31 0.00 0.00 0.00 0.00 61.98 63.66 2dxb s VAL 192 Cb -0.19 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 2dxb s VAL 192 CO 0.58 0.01 1.46 -0.60 0.00 0.00 0.00 175.10 176.55 2dxb s ARG 193 N -2.49 4.27 0.60 2.72 3.52 -1.26 -4.82 118.95 121.49 2dxb s ARG 193 Ca 0.58 2.08 -0.14 0.00 -0.13 0.00 0.00 55.73 58.12 2dxb s ARG 193 Cb -0.22 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 2dxb s ARG 193 CO 0.27 -0.58 1.03 -1.25 -0.81 0.00 0.00 175.30 173.96 2dxb s PRO 194 N 2.16 3.50 0.70 5.12 0.04 -1.26 -5.04 135.00 140.22 2dxb s PRO 194 Ca 0.66 0.95 -0.13 0.00 0.04 0.00 0.00 61.00 62.53 2dxb s PRO 194 Cb -0.35 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.15 2dxb s PRO 194 CO 0.29 -0.65 1.09 -1.21 0.04 0.00 0.00 177.00 176.56 2dxb s GLU 195 N -4.58 2.64 0.00 4.56 2.02 -1.26 -3.89 118.70 118.20 2dxb s GLU 195 Ca 0.59 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.81 2dxb s GLU 195 Cb -0.12 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.17 2dxb s GLU 195 CO 0.44 -1.35 0.00 0.41 0.02 0.00 0.00 175.26 174.78 2dxb n GLY 196 N -1.01 0.71 0.36 -1.39 0.00 -1.26 -4.75 105.19 97.85 2dxb n GLY 196 Ca 0.09 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.87 2dxb n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dxb n THR 197 N -2.51 1.60 -1.68 2.61 -2.24 -1.25 -4.94 114.28 105.87 2dxb n THR 197 Ca 0.00 -2.15 -0.45 0.00 -2.27 0.00 0.00 64.05 59.19 2dxb n THR 197 Cb 0.00 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.13 2dxb n THR 197 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dxb n ASP 198 N -1.04 3.45 0.00 3.42 8.00 -1.26 -1.67 116.55 127.45 2dxb n ASP 198 Ca 0.14 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.70 2dxb n ASP 198 Cb 0.69 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 2dxb n ASP 198 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dxb n GLY 199 N 3.73 0.78 3.77 0.44 0.00 -1.26 -4.98 105.19 107.66 2dxb n GLY 199 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2dxb n GLY 199 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dxb s TRP 200 N -3.00 2.51 0.93 1.61 0.52 -0.67 -5.00 118.94 115.84 2dxb s TRP 200 Ca 0.00 1.22 -0.14 0.00 0.02 0.00 0.00 56.10 57.20 2dxb s TRP 200 Cb 0.00 -3.96 0.15 0.00 -1.15 0.00 0.00 33.47 28.51 2dxb s TRP 200 CO 0.00 -2.96 1.19 0.95 0.02 0.00 0.00 176.95 176.15 2dxb s THR 201 N -1.17 1.96 0.22 2.01 -4.23 -1.26 -4.84 115.64 108.33 2dxb s THR 201 Ca 0.58 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.00 2dxb s THR 201 Cb -0.45 -2.85 0.19 0.00 1.34 0.00 0.00 72.50 70.73 2dxb s THR 201 CO 0.59 0.00 1.89 -0.08 -0.54 0.00 0.00 174.62 176.48 2dxb h GLU 202 N -1.53 1.06 -0.51 3.99 4.81 -1.94 -2.10 114.58 118.35 2dxb h GLU 202 Ca -0.47 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 2dxb h GLU 202 Cb 1.30 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2dxb h GLU 202 CO 0.54 0.70 0.28 -0.44 -0.73 0.00 0.00 179.01 179.36 2dxb h ASP 203 N 1.09 0.64 -0.73 1.04 3.32 -1.99 0.21 116.42 120.01 2dxb h ASP 203 Ca 0.31 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 2dxb h ASP 203 Cb -0.08 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 2dxb h ASP 203 CO -0.08 0.55 0.23 1.56 -1.72 0.00 0.00 179.24 179.78 2dxb h GLN 204 N 0.68 1.14 -0.15 3.56 4.20 -1.85 -1.75 115.11 120.93 2dxb h GLN 204 Ca 0.18 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 2dxb h GLN 204 Cb 0.06 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 2dxb h GLN 204 CO -0.03 0.97 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.80 2dxb h LEU 205 N 1.09 0.47 -1.64 1.46 3.38 -1.19 -3.12 115.31 115.76 2dxb h LEU 205 Ca 0.24 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.72 2dxb h LEU 205 Cb 0.31 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2dxb h LEU 205 CO -0.01 0.90 0.29 0.00 0.09 0.00 0.00 178.44 179.71 2dxb h ALA 206 N 0.58 1.82 0.00 1.53 0.00 -0.84 -2.34 119.26 120.00 2dxb h ALA 206 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2dxb h ALA 206 Cb 0.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2dxb h ALA 206 CO 0.05 0.13 -0.18 1.49 0.00 0.00 0.00 179.25 180.74 2dxb h GLU 207 N 0.47 0.00 -0.19 0.00 4.81 -1.25 -2.64 114.58 115.79 2dxb h GLU 207 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2dxb h GLU 207 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2dxb h GLU 207 CO -0.04 0.18 0.00 0.44 -0.73 0.00 0.00 179.01 178.86 2dxb n ILE 208 N -4.05 0.23 -3.23 2.32 -5.35 -0.88 -4.43 119.36 103.95 2dxb n ILE 208 Ca -0.02 -0.51 -0.46 0.00 -0.27 0.00 0.00 62.75 61.49 2dxb n ILE 208 Cb 0.26 0.86 -0.03 0.00 -1.74 0.00 0.00 39.64 38.99 2dxb n ILE 208 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2dxb s VAL 209 N -1.77 5.28 0.74 7.28 1.01 -1.00 -4.21 120.40 127.73 2dxb s VAL 209 Ca 0.34 -1.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.34 2dxb s VAL 209 Cb 0.20 -4.49 0.09 0.00 0.00 0.00 0.00 36.38 32.18 2dxb s VAL 209 CO 0.30 -1.08 1.05 0.42 0.00 0.00 0.00 175.10 175.79 2dxb s THR 210 N 1.22 2.22 0.18 3.92 -4.23 -1.26 -4.64 115.64 113.04 2dxb s THR 210 Ca 0.16 -0.28 -0.14 0.00 -1.18 0.00 0.00 61.69 60.25 2dxb s THR 210 Cb -0.16 -2.95 0.09 0.00 1.34 0.00 0.00 72.50 70.83 2dxb s THR 210 CO -0.04 0.00 1.71 -0.09 -0.54 0.00 0.00 174.62 175.65 2dxb h ARG 211 N -0.72 0.16 -0.57 3.99 2.43 -1.96 -0.69 114.38 117.02 2dxb h ARG 211 Ca -0.43 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.77 2dxb h ARG 211 Cb 1.30 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 2dxb h ARG 211 CO 0.55 0.11 0.38 -0.44 -1.51 0.00 0.00 179.97 179.06 2dxb h ASP 212 N 0.16 0.55 -0.06 -3.80 3.32 -1.94 -0.60 116.42 114.04 2dxb h ASP 212 Ca 0.22 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 2dxb h ASP 212 Cb 0.31 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2dxb h ASP 212 CO -0.33 0.37 -0.30 0.00 -1.72 0.00 0.00 179.24 177.27 2dxb h LEU 214 N 0.46 0.00 0.03 0.00 3.38 -0.19 -2.89 115.31 116.09 2dxb h LEU 214 Ca 0.06 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.71 2dxb h LEU 214 Cb 0.75 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 2dxb h LEU 214 CO 0.06 0.00 -1.89 -0.38 0.09 0.00 0.00 178.44 176.32 2dxb n ILE 215 N -2.96 1.61 0.00 1.22 5.41 -0.65 -0.81 119.36 123.18 2dxb n ILE 215 Ca 0.02 -0.77 0.00 0.00 1.00 0.00 0.00 62.75 63.01 2dxb n ILE 215 Cb 0.39 -1.13 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 2dxb n ILE 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2dxb n GLY 216 N 1.70 0.74 0.09 7.39 0.00 -0.02 -1.13 105.19 113.96 2dxb n GLY 216 Ca -0.23 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.94 2dxb n GLY 216 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dxb n VAL 217 N -1.02 0.01 -3.72 1.61 0.24 -0.98 -4.66 118.33 109.80 2dxb n VAL 217 Ca 0.00 -0.05 -0.10 0.00 -2.04 0.00 0.00 64.34 62.15 2dxb n VAL 217 Cb 0.00 -0.29 -0.05 0.00 -1.47 0.00 0.00 33.84 32.03 2dxb n VAL 217 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dxb s ALA 218 N -1.99 -0.79 0.09 2.33 0.00 -1.19 -4.63 121.76 115.58 2dxb s ALA 218 Ca 0.44 -0.23 0.10 0.00 0.00 0.00 0.00 51.96 52.27 2dxb s ALA 218 Cb 0.21 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 24.05 2dxb s ALA 218 CO 0.35 -0.69 -0.26 0.14 0.00 0.00 0.00 175.76 175.29 2dxb s VAL 219 N -3.85 2.16 0.37 0.00 -7.23 -1.26 -4.06 120.40 106.52 2dxb s VAL 219 Ca 0.07 -1.59 -0.27 0.00 -1.81 0.00 0.00 61.98 58.38 2dxb s VAL 219 Cb 0.01 -1.89 -0.09 0.00 0.56 0.00 0.00 36.38 34.97 2dxb s VAL 219 CO -0.07 0.19 1.30 -2.16 -0.31 0.00 0.00 175.10 174.04 2dxb s PRO 220 N -1.71 4.15 -0.01 4.82 0.04 -1.26 -4.97 135.00 136.06 2dxb s PRO 220 Ca 0.12 2.17 0.01 0.00 0.04 0.00 0.00 61.00 63.34 2dxb s PRO 220 Cb -0.10 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2dxb s PRO 220 CO 0.04 -0.35 -0.02 0.15 0.04 0.00 0.00 177.00 176.87 2dxb s LYS 221 N -2.04 0.21 0.26 4.56 1.02 -1.26 -4.63 119.74 117.85 2dxb s LYS 221 Ca 0.53 -0.06 -0.31 0.00 0.02 0.00 0.00 55.97 56.15 2dxb s LYS 221 Cb -0.38 -0.23 -0.12 0.00 -0.52 0.00 0.00 37.83 36.57 2dxb s LYS 221 CO 0.50 0.02 1.53 -2.30 -0.92 0.00 0.00 175.35 174.19 2dxb n PRO 222 N 3.19 2.42 0.00 -1.68 -0.02 -1.26 -1.66 135.00 135.98 2dxb n PRO 222 Ca -0.15 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2dxb n PRO 222 Cb 0.58 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2dxb n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dxb n GLY 223 N 2.34 2.52 3.30 -1.23 0.00 -1.26 -5.00 105.19 105.85 2dxb n GLY 223 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2dxb n GLY 223 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dxb s ILE 224 N -2.22 4.63 -0.30 -0.61 1.01 -0.67 -4.92 121.20 118.13 2dxb s ILE 224 Ca 0.00 -1.39 0.16 0.00 0.00 0.00 0.00 60.65 59.42 2dxb s ILE 224 Cb 0.00 -3.87 0.49 0.00 0.01 0.00 0.00 42.46 39.08 2dxb s ILE 224 CO 0.00 -0.62 1.39 0.35 0.00 0.00 0.00 174.94 176.05 2dxb n THR 225 N 5.04 2.06 -3.77 2.92 -2.24 -1.26 -4.47 114.28 112.56 2dxb n THR 225 Ca -0.11 -1.74 -0.13 0.00 -2.27 0.00 0.00 64.05 59.81 2dxb n THR 225 Cb 0.42 -0.13 -0.08 0.00 -2.10 0.00 0.00 70.33 68.44 2dxb n THR 225 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dxb s VAL 226 N -2.52 0.07 0.59 2.28 0.11 -1.26 -4.93 120.40 114.74 2dxb s VAL 226 Ca 0.39 -0.55 -0.19 0.00 -2.93 0.00 0.00 61.98 58.69 2dxb s VAL 226 Cb 0.30 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 2dxb s VAL 226 CO 0.10 -0.30 1.13 0.59 -3.33 0.00 0.00 175.10 173.28 2dxb n ASN 227 N 1.13 1.50 -4.68 3.54 3.02 -1.26 -4.86 115.26 113.65 2dxb n ASN 227 Ca -0.21 0.86 -0.44 0.00 -0.03 0.00 0.00 54.58 54.76 2dxb n ASN 227 Cb 0.57 -1.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.25 2dxb n ASN 227 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dxb n ALA 228 N -1.58 1.16 -2.02 5.41 0.00 -1.26 -4.88 120.51 117.35 2dxb n ALA 228 Ca 0.13 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.55 2dxb n ALA 228 Cb 0.46 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 2dxb n ALA 228 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2dxb s LYS 229 N -1.08 4.39 0.16 0.00 2.20 -1.26 -5.02 119.74 119.12 2dxb s LYS 229 Ca 0.62 2.05 -0.04 0.00 -0.36 0.00 0.00 55.97 58.23 2dxb s LYS 229 Cb -0.61 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.48 2dxb s LYS 229 CO 0.55 -0.25 0.17 -0.98 -0.36 0.00 0.00 175.35 174.48 2dxb s ARG 230 N -0.07 1.09 0.42 4.03 1.70 -1.26 -5.13 118.95 119.73 2dxb s ARG 230 Ca 0.57 -1.37 -0.25 0.00 -0.47 0.00 0.00 55.73 54.21 2dxb s ARG 230 Cb -0.36 0.31 -0.10 0.00 -0.57 0.00 0.00 34.95 34.22 2dxb s ARG 230 CO 0.38 -0.36 1.16 -2.30 -1.08 0.00 0.00 175.30 173.10 2dxb n PRO 231 N -0.18 1.66 -4.08 3.89 -0.02 -1.26 -4.99 135.00 130.02 2dxb n PRO 231 Ca -0.05 0.59 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 2dxb n PRO 231 Cb 0.64 -2.24 -0.16 0.00 -0.02 0.00 0.00 33.50 31.72 2dxb n PRO 231 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dxb s VAL 232 N -1.23 1.99 -0.10 -1.45 1.01 -1.26 -5.10 120.40 114.27 2dxb s VAL 232 Ca 0.62 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 2dxb s VAL 232 Cb -0.53 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2dxb s VAL 232 CO 0.57 0.35 1.01 -0.22 0.00 0.00 0.00 175.10 176.80 2dxb s LEU 233 N 1.28 4.26 0.33 3.92 2.96 -1.26 -5.02 118.68 125.15 2dxb s LEU 233 Ca 0.01 1.55 -0.26 0.00 -0.22 0.00 0.00 54.13 55.20 2dxb s LEU 233 Cb -0.15 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 2dxb s LEU 233 CO -0.10 -0.43 0.98 -0.54 -1.32 0.00 0.00 176.35 174.93 2dxb s LYS 234 N 1.92 4.50 0.31 1.98 1.02 -1.26 -5.05 119.74 123.17 2dxb s LYS 234 Ca 0.49 1.40 -0.11 0.00 0.02 0.00 0.00 55.97 57.77 2dxb s LYS 234 Cb -0.19 -2.78 -0.07 0.00 -0.52 0.00 0.00 37.83 34.28 2dxb s LYS 234 CO 0.19 0.19 0.66 0.00 -0.92 0.00 0.00 175.35 175.47 2dxb s ALA 235 N -1.59 3.44 0.14 5.17 0.00 -1.26 -4.99 121.76 122.68 2dxb s ALA 235 Ca 0.51 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.12 2dxb s ALA 235 Cb -0.20 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.35 2dxb s ALA 235 CO 0.26 0.27 1.66 -0.97 0.00 0.00 0.00 175.76 176.98 2dxb h ASN 236 N 1.97 0.68 -2.49 0.00 -1.24 -2.04 -3.36 115.58 109.10 2dxb h ASN 236 Ca -0.47 -0.22 -0.60 0.00 0.71 0.00 0.00 56.30 55.72 2dxb h ASN 236 Cb 1.18 -0.18 -0.39 0.00 0.73 0.00 0.00 38.32 39.66 2dxb h ASN 236 CO 0.66 0.72 -0.90 -0.60 -1.29 0.00 0.00 177.43 176.02 2dxb s ARG 237 N -5.36 1.18 0.76 6.67 3.52 -1.26 -5.13 118.95 119.33 2dxb s ARG 237 Ca -0.13 -2.33 -0.15 0.00 -0.13 0.00 0.00 55.73 53.00 2dxb s ARG 237 Cb 0.11 -1.77 0.06 0.00 -1.56 0.00 0.00 34.95 31.78 2dxb s ARG 237 CO 0.78 -1.37 1.23 -1.25 -0.81 0.00 0.00 175.30 173.88 2dxb s PRO 238 N -0.21 1.91 0.00 5.12 0.04 -1.26 -5.26 135.00 135.34 2dxb s PRO 238 Ca 0.31 1.83 0.19 0.00 0.04 0.00 0.00 61.00 63.37 2dxb s PRO 238 Cb 0.02 -1.80 1.12 0.00 0.04 0.00 0.00 34.50 33.88 2dxb s PRO 238 CO -0.19 -2.03 1.51 0.28 0.04 0.00 0.00 177.00 176.61