#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 1.83 0.64 2.62 -7.23 -1.26 -5.15 120.40 111.85 2dxb s VAL 24 Ca 0.00 -1.62 -0.06 0.00 -1.81 0.00 0.00 61.98 58.49 2dxb s VAL 24 Cb 0.00 -1.67 0.03 0.00 0.56 0.00 0.00 36.38 35.30 2dxb s VAL 24 CO 0.00 -0.05 0.95 -0.94 -0.31 0.00 0.00 175.10 174.75 2dxb s SER 25 N -2.01 5.29 0.47 4.85 1.04 -1.26 -4.95 113.70 117.13 2dxb s SER 25 Ca 0.09 0.63 0.18 0.00 0.48 0.00 0.00 55.95 57.33 2dxb s SER 25 Cb -0.10 -1.48 1.14 0.00 0.10 0.00 0.00 66.02 65.69 2dxb s SER 25 CO 0.05 -1.28 2.02 0.44 0.98 0.00 0.00 173.24 175.45 2dxb h ASP 26 N -0.36 0.00 -0.53 7.02 3.32 -2.01 -2.39 116.42 121.47 2dxb h ASP 26 Ca -0.45 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.50 2dxb h ASP 26 Cb 1.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 2dxb h ASP 26 CO 0.61 0.17 -0.05 -0.26 -1.72 0.00 0.00 179.24 177.98 2dxb h PHE 27 N 0.00 1.07 -0.38 4.55 0.04 -1.98 -1.07 116.94 119.16 2dxb h PHE 27 Ca -0.00 -0.20 -0.14 0.00 2.80 0.00 0.00 57.97 60.43 2dxb h PHE 27 Cb 0.33 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 2dxb h PHE 27 CO 0.00 0.99 -0.31 0.93 -0.60 0.00 0.00 178.31 179.33 2dxb h GLU 28 N 0.84 0.84 -0.29 1.51 5.08 -1.82 0.51 114.58 121.26 2dxb h GLU 28 Ca 0.14 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2dxb h GLU 28 Cb 0.60 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2dxb h GLU 28 CO 0.04 1.03 0.08 0.82 -1.00 0.00 0.00 179.01 179.98 2dxb h ILE 29 N 0.71 1.20 -0.36 3.13 2.04 -1.35 -2.05 117.51 120.83 2dxb h ILE 29 Ca 0.08 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 2dxb h ILE 29 Cb 0.86 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 2dxb h ILE 29 CO 0.08 0.22 -0.10 0.25 0.00 0.00 0.00 178.15 178.60 2dxb h LEU 30 N 0.30 0.60 -0.35 1.44 5.85 -1.06 -1.31 115.31 120.78 2dxb h LEU 30 Ca 0.09 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2dxb h LEU 30 Cb 0.26 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2dxb h LEU 30 CO -0.00 0.73 0.17 -0.08 -0.34 0.00 0.00 178.44 178.92 2dxb h GLU 31 N 0.57 0.51 -0.39 1.25 4.22 -0.67 0.12 114.58 120.18 2dxb h GLU 31 Ca 0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.46 2dxb h GLU 31 Cb 0.51 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2dxb h GLU 31 CO 0.03 0.46 0.22 0.52 -2.18 0.00 0.00 179.01 178.06 2dxb h MET 32 N 0.44 0.55 0.09 1.92 2.86 -1.16 -1.42 114.93 118.19 2dxb h MET 32 Ca 0.12 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2dxb h MET 32 Cb 0.11 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2dxb h MET 32 CO -0.02 0.44 -0.11 0.00 1.06 0.00 0.00 176.91 178.29 2dxb h ALA 33 N 1.08 -0.19 -0.38 6.32 0.00 -0.92 -0.41 119.26 124.75 2dxb h ALA 33 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2dxb h ALA 33 Cb 0.05 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2dxb h ALA 33 CO -0.02 -0.63 0.22 0.28 0.00 0.00 0.00 179.25 179.10 2dxb h VAL 34 N -0.23 1.14 -0.49 0.00 2.07 -0.88 -1.30 116.25 116.56 2dxb h VAL 34 Ca 0.01 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 2dxb h VAL 34 Cb 0.23 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2dxb h VAL 34 CO -0.05 0.14 0.06 -0.09 0.02 0.00 0.00 177.57 177.65 2dxb h ARG 35 N 0.49 0.83 -0.61 1.57 2.43 -1.15 -0.99 114.38 116.95 2dxb h ARG 35 Ca 0.14 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2dxb h ARG 35 Cb 0.03 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2dxb h ARG 35 CO -0.02 0.84 0.32 0.93 -1.51 0.00 0.00 179.97 180.53 2dxb h GLU 36 N 0.70 0.86 -0.41 0.20 5.08 -0.94 -1.63 114.58 118.44 2dxb h GLU 36 Ca 0.15 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2dxb h GLU 36 Cb 0.43 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2dxb h GLU 36 CO 0.01 0.67 0.10 -0.07 -1.00 0.00 0.00 179.01 178.72 2dxb h LEU 37 N 0.83 0.63 -0.54 1.33 3.38 -1.09 -0.03 115.31 119.83 2dxb h LEU 37 Ca 0.21 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2dxb h LEU 37 Cb 0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2dxb h LEU 37 CO -0.03 0.70 0.35 0.00 0.09 0.00 0.00 178.44 179.55 2dxb h ALA 38 N 0.95 0.68 -0.23 1.53 0.00 -0.98 -0.67 119.26 120.56 2dxb h ALA 38 Ca 0.13 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2dxb h ALA 38 Cb 0.32 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2dxb h ALA 38 CO 0.00 0.11 -0.23 0.82 0.00 0.00 0.00 179.25 179.95 2dxb h ILE 39 N 0.71 1.32 -0.69 0.00 2.04 -1.20 0.45 117.51 120.14 2dxb h ILE 39 Ca 0.20 -1.40 0.02 0.00 1.00 0.00 0.00 64.86 64.68 2dxb h ILE 39 Cb -0.07 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2dxb h ILE 39 CO -0.05 0.43 0.46 -0.33 0.00 0.00 0.00 178.15 178.66 2dxb h GLU 40 N 0.25 0.88 -0.02 2.37 5.08 -0.79 -0.05 114.58 122.29 2dxb h GLU 40 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2dxb h GLU 40 Cb 0.78 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2dxb h GLU 40 CO 0.06 0.58 0.00 1.63 -1.00 0.00 0.00 179.01 180.28 2dxb n LYS 41 N -4.44 1.32 -1.69 2.33 4.76 -0.28 -4.92 118.16 115.25 2dxb n LYS 41 Ca 0.08 -0.47 -0.12 0.00 -2.87 0.00 0.00 58.31 54.93 2dxb n LYS 41 Cb 0.07 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.76 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 1.06 0.74 0.16 0.72 0.00 -0.03 -4.91 105.19 102.92 2dxb n GLY 42 Ca 0.20 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 0.47 -7.89 0.99 3.38 -1.15 -3.45 115.31 107.66 2dxb h LEU 43 Ca -0.25 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.23 2dxb h LEU 43 Cb 0.94 -0.13 -0.15 0.00 0.09 0.00 0.00 40.66 41.41 2dxb h LEU 43 CO 0.34 0.75 -0.44 0.72 0.09 0.00 0.00 178.44 179.91 2dxb s PHE 44 N -4.67 0.21 0.44 1.13 -0.12 -1.24 -5.06 117.98 108.67 2dxb s PHE 44 Ca -0.14 -0.64 0.02 0.00 -0.05 0.00 0.00 56.93 56.12 2dxb s PHE 44 Cb 0.07 -0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.34 2dxb s PHE 44 CO 0.76 -0.50 0.64 -1.54 -0.05 0.00 0.00 175.22 174.54 2dxb s SER 45 N -2.78 5.75 0.36 1.98 1.04 -1.26 -4.07 113.70 114.72 2dxb s SER 45 Ca 0.04 0.10 0.05 0.00 0.48 0.00 0.00 55.95 56.63 2dxb s SER 45 Cb 0.05 -1.31 0.68 0.00 0.10 0.00 0.00 66.02 65.53 2dxb s SER 45 CO -0.10 -0.73 1.92 0.00 0.98 0.00 0.00 173.24 175.32 2dxb h ALA 46 N 0.45 1.46 -0.44 5.32 0.00 -1.98 -2.23 119.26 121.85 2dxb h ALA 46 Ca -0.45 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.16 2dxb h ALA 46 Cb 1.26 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2dxb h ALA 46 CO 0.55 0.39 -0.26 1.49 0.00 0.00 0.00 179.25 181.42 2dxb h GLU 47 N 0.50 0.96 -0.48 0.00 4.81 -1.99 -2.24 114.58 116.13 2dxb h GLU 47 Ca 0.12 -0.44 0.05 0.00 -0.13 0.00 0.00 59.36 58.96 2dxb h GLU 47 Cb 0.23 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 2dxb h GLU 47 CO -0.00 1.11 0.20 -0.44 -0.73 0.00 0.00 179.01 179.14 2dxb h ASP 48 N 0.79 0.25 -0.49 1.04 3.32 -1.80 0.19 116.42 119.72 2dxb h ASP 48 Ca 0.09 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2dxb h ASP 48 Cb 0.85 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 2dxb h ASP 48 CO 0.07 0.17 0.27 -0.74 -1.72 0.00 0.00 179.24 177.29 2dxb h HIS 49 N 0.40 0.67 -0.36 4.55 2.76 -1.30 0.12 115.15 121.99 2dxb h HIS 49 Ca 0.22 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 2dxb h HIS 49 Cb 0.19 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2dxb h HIS 49 CO -0.13 0.50 0.06 0.00 -1.30 0.00 0.00 177.93 177.05 2dxb h ARG 50 N 0.64 0.60 -0.51 5.26 3.08 -1.05 -1.81 114.38 120.58 2dxb h ARG 50 Ca 0.17 -0.16 0.05 0.00 0.07 0.00 0.00 59.98 60.11 2dxb h ARG 50 Cb 0.05 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 2dxb h ARG 50 CO -0.03 0.67 0.25 0.28 -1.07 0.00 0.00 179.97 180.07 2dxb h VAL 51 N 0.43 0.94 -0.63 2.04 2.07 -0.28 -0.03 116.25 120.79 2dxb h VAL 51 Ca 0.11 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 2dxb h VAL 51 Cb 0.36 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2dxb h VAL 51 CO 0.01 0.09 0.19 -0.25 0.02 0.00 0.00 177.57 177.63 2dxb h TRP 52 N 0.49 1.02 -0.79 1.57 2.91 -0.59 -1.43 115.95 119.14 2dxb h TRP 52 Ca 0.23 -0.11 -0.04 0.00 1.13 0.00 0.00 58.89 60.11 2dxb h TRP 52 Cb 0.16 -0.30 -0.04 0.00 -0.51 0.00 0.00 29.16 28.47 2dxb h TRP 52 CO -0.11 0.84 0.36 0.87 -1.03 0.00 0.00 178.44 179.37 2dxb h LYS 53 N 0.91 1.15 -0.75 2.65 1.57 -0.80 -0.52 116.57 120.79 2dxb h LYS 53 Ca 0.20 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2dxb h LYS 53 Cb 0.30 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2dxb h LYS 53 CO -0.01 0.90 0.27 -0.44 -0.57 0.00 0.00 179.45 179.61 2dxb h ASP 54 N 1.13 1.05 -0.18 0.86 3.32 -0.59 -1.03 116.42 120.98 2dxb h ASP 54 Ca 0.27 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2dxb h ASP 54 Cb 0.15 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2dxb h ASP 54 CO -0.03 0.96 0.09 0.22 -1.72 0.00 0.00 179.24 178.76 2dxb h TYR 55 N 1.09 0.26 -0.84 4.55 3.20 -0.67 -2.44 116.97 122.12 2dxb h TYR 55 Ca 0.25 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.17 2dxb h TYR 55 Cb 0.25 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 2dxb h TYR 55 CO 0.02 0.26 0.55 0.28 -1.64 0.00 0.00 178.16 177.63 2dxb h VAL 56 N 0.18 1.06 0.00 1.81 2.07 -0.83 -0.98 116.25 119.55 2dxb h VAL 56 Ca 0.06 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2dxb h VAL 56 Cb 0.10 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2dxb h VAL 56 CO -0.01 0.17 -0.09 -0.74 0.02 0.00 0.00 177.57 176.92 2dxb h HIS 57 N 0.94 0.00 0.00 1.57 -0.00 -0.71 -1.67 115.15 115.28 2dxb h HIS 57 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.73 2dxb h HIS 57 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 2dxb h HIS 57 CO -0.00 0.09 -0.18 0.25 -0.00 0.00 0.00 177.93 178.09 2dxb n THR 58 N -4.06 0.08 -2.59 6.26 -2.24 -0.38 -4.90 114.28 106.45 2dxb n THR 58 Ca -0.03 -0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.36 2dxb n THR 58 Cb 0.18 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.09 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 -3.23 3.99 -0.07 3.22 1.43 -0.63 -5.03 118.68 118.36 2dxb s LEU 59 Ca 0.12 1.93 -0.30 0.00 -1.03 0.00 0.00 54.13 54.85 2dxb s LEU 59 Cb 0.18 -4.39 0.10 0.00 0.03 0.00 0.00 46.19 42.11 2dxb s LEU 59 CO 0.60 -0.58 1.36 -0.83 0.23 0.00 0.00 176.35 177.12 2dxb s GLY 60 N -1.83 -0.22 0.02 -3.19 0.00 -1.26 -4.76 107.32 96.07 2dxb s GLY 60 Ca 0.62 0.20 0.28 0.00 0.00 0.00 0.00 44.72 45.82 2dxb s GLY 60 CO 0.22 5.97 1.78 -1.55 0.00 0.00 0.00 173.10 179.52 2dxb n PRO 61 N -0.92 0.03 -0.20 2.90 -0.04 -0.91 -3.15 135.00 132.71 2dxb n PRO 61 Ca 0.04 0.02 -0.01 0.00 -0.04 0.00 0.00 63.50 63.51 2dxb n PRO 61 Cb 0.59 -1.53 0.09 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.00 0.31 -0.81 1.53 3.38 -1.88 -0.87 115.31 116.98 2dxb h LEU 62 Ca 0.00 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2dxb h LEU 62 Cb 0.52 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2dxb h LEU 62 CO 0.00 0.19 0.40 -0.65 0.09 0.00 0.00 178.44 178.47 2dxb h PRO 63 N 0.47 1.15 -0.69 1.13 0.11 -1.75 -0.43 132.00 131.99 2dxb h PRO 63 Ca 0.29 -0.16 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 2dxb h PRO 63 Cb 0.30 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 2dxb h PRO 63 CO -0.25 0.88 0.17 0.00 -0.21 0.00 0.00 178.00 178.59 2dxb h ALA 64 N 1.21 0.99 -0.57 -0.75 0.00 -1.14 -1.41 119.26 117.58 2dxb h ALA 64 Ca 0.28 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2dxb h ALA 64 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2dxb h ALA 64 CO -0.04 0.66 0.21 0.00 0.00 0.00 0.00 179.25 180.08 2dxb h ALA 65 N 1.13 0.74 -0.65 0.00 0.00 -0.71 -2.50 119.26 117.27 2dxb h ALA 65 Ca 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2dxb h ALA 65 Cb 0.36 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2dxb h ALA 65 CO 0.00 0.38 0.31 0.00 0.00 0.00 0.00 179.25 179.94 2dxb h ARG 66 N 0.79 0.94 -0.53 0.00 2.47 -0.74 -1.66 114.38 115.65 2dxb h ARG 66 Ca 0.19 -0.14 0.04 0.00 -1.26 0.00 0.00 59.98 58.81 2dxb h ARG 66 Cb 0.24 -0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.35 2dxb h ARG 66 CO -0.01 0.75 0.28 1.25 0.56 0.00 0.00 179.97 182.80 2dxb h LEU 67 N 0.90 0.42 -0.36 3.04 6.46 -1.04 0.22 115.31 124.94 2dxb h LEU 67 Ca 0.22 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 2dxb h LEU 67 Cb 0.13 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2dxb h LEU 67 CO -0.03 0.29 0.18 0.58 -0.62 0.00 0.00 178.44 178.84 2dxb h VAL 68 N 0.55 1.16 -0.43 1.05 2.07 -1.15 -0.13 116.25 119.37 2dxb h VAL 68 Ca 0.23 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2dxb h VAL 68 Cb 0.12 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2dxb h VAL 68 CO -0.15 0.17 0.26 0.00 0.02 0.00 0.00 177.57 177.87 2dxb h ALA 69 N 1.03 0.55 -0.73 1.67 0.00 -0.75 0.40 119.26 121.43 2dxb h ALA 69 Ca 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2dxb h ALA 69 Cb 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2dxb h ALA 69 CO -0.02 0.04 0.30 0.87 0.00 0.00 0.00 179.25 180.45 2dxb h LYS 70 N 0.57 1.07 -0.49 0.00 1.57 -0.42 -1.51 116.57 117.37 2dxb h LYS 70 Ca 0.15 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2dxb h LYS 70 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2dxb h LYS 70 CO -0.03 0.87 0.15 0.00 -0.57 0.00 0.00 179.45 179.87 2dxb h ALA 71 N 1.27 0.64 -0.35 3.86 0.00 -0.44 -1.32 119.26 122.92 2dxb h ALA 71 Ca 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2dxb h ALA 71 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2dxb h ALA 71 CO -0.02 0.30 0.13 -1.49 0.00 0.00 0.00 179.25 178.17 2dxb h TRP 72 N 0.66 0.49 -0.18 0.00 6.55 -0.47 -2.71 115.95 120.29 2dxb h TRP 72 Ca 0.16 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.98 2dxb h TRP 72 Cb 0.27 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 28.42 2dxb h TRP 72 CO 0.01 0.40 0.00 1.28 -1.05 0.00 0.00 178.44 179.08 2dxb n LEU 73 N -4.39 2.01 -3.22 -4.49 4.77 -0.61 -4.72 117.00 106.35 2dxb n LEU 73 Ca 0.02 -0.82 -0.01 0.00 -0.03 0.00 0.00 56.01 55.17 2dxb n LEU 73 Cb 0.14 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2dxb n LEU 73 CO 0.37 0.41 0.04 -0.62 -1.33 0.00 0.00 177.39 176.26 2dxb s ASP 74 N -1.62 -0.95 0.46 -1.43 -1.08 -0.54 -5.03 116.67 106.48 2dxb s ASP 74 Ca 0.34 -0.34 0.23 0.00 -0.52 0.00 0.00 52.55 52.26 2dxb s ASP 74 Cb 0.19 1.70 1.24 0.00 -1.46 0.00 0.00 42.92 44.58 2dxb s ASP 74 CO 0.28 -0.27 1.84 -0.65 0.52 0.00 0.00 175.17 176.88 2dxb h PRO 75 N 7.69 0.25 -0.29 4.34 0.11 -1.85 0.36 132.00 142.61 2dxb h PRO 75 Ca -0.01 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.95 2dxb h PRO 75 Cb 1.16 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2dxb h PRO 75 CO 0.17 0.17 -0.37 0.93 -0.21 0.00 0.00 178.00 178.68 2dxb h GLU 76 N 0.26 0.67 -0.30 1.05 4.39 -1.96 -1.75 114.58 116.95 2dxb h GLU 76 Ca 0.50 -0.33 -0.16 0.00 0.34 0.00 0.00 59.36 59.71 2dxb h GLU 76 Cb 1.51 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.15 2dxb h GLU 76 CO -0.15 0.93 -0.44 -0.92 -1.16 0.00 0.00 179.01 177.27 2dxb h TYR 77 N 0.56 0.92 -0.75 4.33 3.20 -1.31 -2.70 116.97 121.23 2dxb h TYR 77 Ca 0.05 -0.29 0.03 0.00 3.14 0.00 0.00 58.73 61.67 2dxb h TYR 77 Cb 0.89 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 2dxb h TYR 77 CO 0.04 1.07 0.47 -0.22 -1.64 0.00 0.00 178.16 177.88 2dxb h LYS 78 N 0.61 0.89 -0.63 1.82 3.64 -1.01 0.70 116.57 122.59 2dxb h LYS 78 Ca 0.04 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2dxb h LYS 78 Cb 1.00 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.58 2dxb h LYS 78 CO 0.10 0.59 0.39 0.87 -2.27 0.00 0.00 179.45 179.13 2dxb h LYS 79 N 0.92 0.75 -0.32 1.90 1.57 -1.15 -1.34 116.57 118.90 2dxb h LYS 79 Ca 0.30 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2dxb h LYS 79 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2dxb h LYS 79 CO -0.11 0.50 0.17 1.25 -0.57 0.00 0.00 179.45 180.68 2dxb h LEU 80 N 0.77 0.40 -0.58 2.94 5.85 -0.99 -2.01 115.31 121.70 2dxb h LEU 80 Ca 0.25 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.96 2dxb h LEU 80 Cb 0.02 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 2dxb h LEU 80 CO -0.10 0.38 0.23 0.00 -0.34 0.00 0.00 178.44 178.61 2dxb h ILE 82 N 0.43 1.28 0.01 0.00 2.04 -1.09 -3.15 117.51 117.04 2dxb h ILE 82 Ca 0.28 -1.40 -0.30 0.00 1.00 0.00 0.00 64.86 64.43 2dxb h ILE 82 Cb 0.30 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 2dxb h ILE 82 CO -0.26 0.46 -1.80 1.21 0.00 0.00 0.00 178.15 177.76 2dxb n GLU 83 N -4.09 0.65 -3.19 2.37 4.07 -0.77 -4.70 120.64 114.98 2dxb n GLU 83 Ca -0.01 0.27 -0.21 0.00 -0.06 0.00 0.00 57.16 57.15 2dxb n GLU 83 Cb 0.46 -1.76 -0.06 0.00 -0.06 0.00 0.00 31.44 30.01 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 -3.05 -0.91 -0.30 4.31 -0.08 0.15 -5.01 116.55 111.65 2dxb n ASP 84 Ca -0.20 -2.62 0.13 0.00 -1.51 0.00 0.00 54.79 50.59 2dxb n ASP 84 Cb 1.06 -0.05 0.37 0.00 2.34 0.00 0.00 41.12 44.84 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 4.91 1.36 0.91 0.27 0.00 -1.54 -1.74 103.07 107.24 2dxb h GLY 85 Ca 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 2dxb h GLY 85 CO 0.34 0.04 0.09 -2.08 0.00 0.00 0.00 176.54 174.94 2dxb h VAL 86 N 0.70 1.21 -0.20 4.60 2.07 -1.90 -0.37 116.25 122.36 2dxb h VAL 86 Ca 0.50 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2dxb h VAL 86 Cb 0.83 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2dxb h VAL 86 CO -0.26 0.23 0.08 -0.08 0.02 0.00 0.00 177.57 177.56 2dxb h GLU 87 N 0.35 0.30 -0.73 1.57 4.57 -1.78 -2.91 114.58 115.96 2dxb h GLU 87 Ca 0.10 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2dxb h GLU 87 Cb 0.26 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 2dxb h GLU 87 CO -0.00 0.36 0.48 0.00 -1.18 0.00 0.00 179.01 178.67 2dxb h ALA 88 N 0.92 1.49 -0.57 2.92 0.00 -1.22 -2.33 119.26 120.47 2dxb h ALA 88 Ca 0.07 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.09 2dxb h ALA 88 Cb 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2dxb h ALA 88 CO -0.01 0.48 0.41 1.03 0.00 0.00 0.00 179.25 181.16 2dxb h SER 89 N 0.98 0.04 -0.33 0.00 0.87 -0.85 -1.13 113.55 113.13 2dxb h SER 89 Ca 0.27 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2dxb h SER 89 Cb -0.11 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 2dxb h SER 89 CO -0.06 0.02 0.20 0.11 -0.53 0.00 0.00 176.83 176.57 2dxb h LYS 90 N 0.04 0.46 0.00 2.24 1.57 -1.35 -1.79 116.57 117.74 2dxb h LYS 90 Ca 0.27 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2dxb h LYS 90 Cb 1.04 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.25 2dxb h LYS 90 CO -0.01 0.33 0.00 0.00 -0.57 0.00 0.00 179.45 179.20 2dxb h ALA 91 N 1.75 1.00 -0.36 3.86 0.00 -1.36 -0.79 119.26 123.36 2dxb h ALA 91 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2dxb h ALA 91 Cb -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2dxb h ALA 91 CO -0.02 0.00 0.01 1.33 0.00 0.00 0.00 179.25 180.56 2dxb n VAL 92 N -3.08 2.44 -1.00 0.00 0.24 -0.71 -4.95 118.33 111.28 2dxb n VAL 92 Ca -0.02 -1.78 -0.00 0.00 -2.04 0.00 0.00 64.34 60.49 2dxb n VAL 92 Cb 0.11 -0.27 -0.00 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 -0.24 0.47 3.15 7.63 0.00 -0.30 -4.85 105.19 111.04 2dxb n GLY 93 Ca 0.24 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.94 3.10 -0.42 1.61 1.01 -1.02 -5.00 120.40 117.74 2dxb s VAL 94 Ca 0.00 -1.68 -0.15 0.00 0.00 0.00 0.00 61.98 60.15 2dxb s VAL 94 Cb 0.00 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.47 2dxb s VAL 94 CO 0.00 -0.36 0.32 0.21 0.00 0.00 0.00 175.10 175.28 2dxb s ASN 95 N 1.45 6.12 0.64 3.32 3.84 -1.26 -3.11 114.94 125.93 2dxb s ASN 95 Ca 0.01 -0.96 0.37 0.00 0.21 0.00 0.00 52.86 52.49 2dxb s ASN 95 Cb -0.21 -2.17 2.07 0.00 -0.55 0.00 0.00 41.25 40.40 2dxb s ASN 95 CO -0.02 -0.49 2.25 -0.50 -2.79 0.00 0.00 177.10 175.55 2dxb h TRP 96 N 8.66 0.00 0.02 0.43 4.06 -1.95 0.23 115.95 127.40 2dxb h TRP 96 Ca -0.27 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.35 2dxb h TRP 96 Cb 1.12 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.23 2dxb h TRP 96 CO 0.57 0.00 -1.84 0.28 -3.56 0.00 0.00 178.44 173.89 2dxb n VAL 97 N -3.37 1.57 0.90 1.49 0.31 -1.26 -3.52 118.33 114.45 2dxb n VAL 97 Ca -0.02 -0.27 0.09 0.00 -0.01 0.00 0.00 64.34 64.13 2dxb n VAL 97 Cb 0.15 -1.90 -0.11 0.00 -0.91 0.00 0.00 33.84 31.07 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 -4.13 0.00 -0.08 2.52 -2.24 -1.14 -1.63 114.28 107.58 2dxb n THR 98 Ca -0.40 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.23 2dxb n THR 98 Cb 0.83 0.97 0.03 0.00 -2.10 0.00 0.00 70.33 70.06 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 0.85 -4.23 3.42 0.02 -0.82 -3.44 113.55 109.35 2dxb h SER 99 Ca 0.00 -0.37 -0.50 0.00 -0.84 0.00 0.00 61.79 60.07 2dxb h SER 99 Cb 0.48 -0.24 0.09 0.00 0.14 0.00 0.00 62.40 62.87 2dxb h SER 99 CO 0.00 1.12 0.37 -2.84 -1.14 0.00 0.00 176.83 174.34 2dxb s PRO 100 N -4.39 2.89 0.60 3.45 0.02 -1.26 -4.92 135.00 131.40 2dxb s PRO 100 Ca -0.10 1.26 0.33 0.00 0.02 0.00 0.00 61.00 62.51 2dxb s PRO 100 Cb 0.12 -1.97 1.94 0.00 0.02 0.00 0.00 34.50 34.60 2dxb s PRO 100 CO 0.86 -1.16 2.28 -1.35 -0.33 0.00 0.00 177.00 177.30 2dxb h PRO 101 N -0.08 0.00 -0.09 5.54 0.11 -1.93 -2.93 132.00 132.62 2dxb h PRO 101 Ca -0.46 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 2dxb h PRO 101 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2dxb h PRO 101 CO 0.55 0.00 -0.38 1.79 -0.21 0.00 0.00 178.00 179.76 2dxb h THR 102 N 0.00 1.29 -0.17 -1.15 1.35 -1.90 -3.47 112.91 108.86 2dxb h THR 102 Ca -0.00 -1.40 -0.07 0.00 -0.55 0.00 0.00 66.41 64.38 2dxb h THR 102 Cb 0.01 1.65 -0.03 0.00 -1.73 0.00 0.00 68.15 68.05 2dxb h THR 102 CO 0.00 0.42 -0.07 0.00 -0.25 0.00 0.00 175.52 175.62 2dxb n GLN 103 N -4.06 -0.47 -1.09 4.72 1.13 -1.11 -4.81 117.38 111.69 2dxb n GLN 103 Ca -0.01 0.48 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 2dxb n GLN 103 Cb 0.44 -4.10 -0.00 0.00 0.11 0.00 0.00 30.24 26.69 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 -2.79 0.00 -0.03 1.08 1.16 -0.97 -4.72 117.46 111.20 2dxb n PHE 104 Ca -0.04 -0.35 0.00 0.00 -1.87 0.00 0.00 57.45 55.20 2dxb n PHE 104 Cb 0.17 0.04 -0.00 0.00 -1.61 0.00 0.00 39.48 38.08 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 0.24 -2.66 3.77 4.97 0.00 -0.64 -4.87 105.19 106.00 2dxb n GLY 105 Ca -0.03 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.17 2.62 0.42 2.61 -4.23 -1.26 -4.74 115.64 107.89 2dxb s THR 106 Ca 0.00 0.52 0.11 0.00 -1.18 0.00 0.00 61.69 61.14 2dxb s THR 106 Cb 0.00 -3.29 0.30 0.00 1.34 0.00 0.00 72.50 70.85 2dxb s THR 106 CO 0.00 0.05 2.01 -0.65 -0.54 0.00 0.00 174.62 175.49 2dxb h PRO 107 N 2.35 0.46 0.00 3.99 0.11 -1.95 -2.47 132.00 134.49 2dxb h PRO 107 Ca -0.50 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 2dxb h PRO 107 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2dxb h PRO 107 CO 0.61 0.30 -1.51 0.43 -0.21 0.00 0.00 178.00 177.63 2dxb n SER 108 N -4.47 0.51 -0.01 -2.05 7.64 -1.26 -4.42 113.62 109.56 2dxb n SER 108 Ca 0.07 0.20 0.10 0.00 1.01 0.00 0.00 58.87 60.26 2dxb n SER 108 Cb 0.24 0.96 -0.15 0.00 -1.01 0.00 0.00 64.21 64.24 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 -2.58 0.33 -0.59 6.43 8.00 -1.20 -4.93 116.55 122.02 2dxb n ASP 109 Ca -0.05 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.23 2dxb n ASP 109 Cb 0.65 1.75 0.00 0.00 -0.02 0.00 0.00 41.12 43.50 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 -2.07 -1.55 -2.57 1.24 4.01 -0.94 -4.58 117.16 110.71 2dxb n TYR 110 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 2dxb n TYR 110 Cb 0.50 0.23 0.01 0.00 -0.31 0.00 0.00 39.34 39.78 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 -0.29 0.18 -4.72 0.00 5.15 -1.26 -4.95 115.26 109.37 2dxb n ASN 112 Ca 0.26 -2.66 -0.41 0.00 -0.60 0.00 0.00 54.58 51.17 2dxb n ASN 112 Cb 0.72 -0.63 -0.04 0.00 -0.53 0.00 0.00 39.78 39.31 2dxb n ASN 112 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2dxb s LEU 113 N -1.00 4.47 -0.05 1.20 2.96 -1.26 -2.56 118.68 122.44 2dxb s LEU 113 Ca 0.35 1.80 0.05 0.00 -0.22 0.00 0.00 54.13 56.11 2dxb s LEU 113 Cb 0.14 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.24 2dxb s LEU 113 CO -0.12 -0.14 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.42 2dxb s ARG 114 N 0.23 2.21 -0.23 1.98 0.52 -0.05 -3.31 118.95 120.29 2dxb s ARG 114 Ca 0.49 -0.78 -0.09 0.00 -0.52 0.00 0.00 55.73 54.83 2dxb s ARG 114 Cb -0.24 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 2dxb s ARG 114 CO 0.30 0.33 0.11 0.08 0.02 0.00 0.00 175.30 176.14 2dxb s VAL 115 N -0.11 4.84 -0.33 3.52 1.01 -1.25 -2.87 120.40 125.21 2dxb s VAL 115 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 2dxb s VAL 115 Cb -0.13 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 2dxb s VAL 115 CO 0.03 0.37 0.34 -0.76 0.00 0.00 0.00 175.10 175.08 2dxb s LEU 116 N 1.11 4.39 -0.32 3.92 1.43 -0.80 -4.53 118.68 123.89 2dxb s LEU 116 Ca 0.05 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.77 2dxb s LEU 116 Cb -0.14 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 2dxb s LEU 116 CO 0.04 -0.30 0.57 0.00 0.23 0.00 0.00 176.35 176.89 2dxb s ALA 117 N 1.99 3.51 0.87 4.21 0.00 -1.26 -0.22 121.76 130.85 2dxb s ALA 117 Ca 0.11 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 2dxb s ALA 117 Cb -0.17 -3.05 0.11 0.00 0.00 0.00 0.00 23.12 20.02 2dxb s ALA 117 CO 0.11 -1.11 1.10 -0.51 0.00 0.00 0.00 175.76 175.35 2dxb s ASP 118 N 1.70 3.77 0.35 0.00 1.01 0.04 -4.93 116.67 118.60 2dxb s ASP 118 Ca 0.22 1.27 -0.12 0.00 0.71 0.00 0.00 52.55 54.63 2dxb s ASP 118 Cb -0.15 -1.95 0.03 0.00 1.01 0.00 0.00 42.92 41.86 2dxb s ASP 118 CO 0.12 -2.42 0.66 -0.94 0.21 0.00 0.00 175.17 172.80 2dxb s SER 119 N -3.74 0.23 0.63 0.27 1.04 0.86 -4.60 113.70 108.39 2dxb s SER 119 Ca 0.63 -1.16 0.34 0.00 0.48 0.00 0.00 55.95 56.24 2dxb s SER 119 Cb -0.16 0.75 1.91 0.00 0.10 0.00 0.00 66.02 68.62 2dxb s SER 119 CO 0.55 -1.48 2.16 -0.65 0.98 0.00 0.00 173.24 174.80 2dxb h PRO 120 N 2.06 0.00 -0.14 4.02 0.11 -2.02 -2.02 132.00 134.01 2dxb h PRO 120 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2dxb h PRO 120 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2dxb h PRO 120 CO 0.37 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.41 2dxb n THR 121 N -3.39 0.93 -3.71 -1.15 -2.24 -1.26 -4.85 114.28 98.61 2dxb n THR 121 Ca -0.01 -0.96 -0.12 0.00 -2.27 0.00 0.00 64.05 60.68 2dxb n THR 121 Cb 0.24 0.54 -0.13 0.00 -2.10 0.00 0.00 70.33 68.89 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 -0.96 0.16 -0.06 3.22 2.96 -0.76 -0.85 118.68 122.40 2dxb s LEU 122 Ca 0.10 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 2dxb s LEU 122 Cb 0.05 0.85 0.02 0.00 0.50 0.00 0.00 46.19 47.62 2dxb s LEU 122 CO 0.07 -0.19 -0.03 -0.75 -1.32 0.00 0.00 176.35 174.13 2dxb s LYS 123 N 1.53 0.76 0.16 1.98 2.36 -0.05 -0.09 119.74 126.39 2dxb s LYS 123 Ca -0.07 -0.02 0.04 0.00 -2.55 0.00 0.00 55.97 53.36 2dxb s LYS 123 Cb -0.10 -0.92 -0.04 0.00 -1.05 0.00 0.00 37.83 35.72 2dxb s LYS 123 CO -0.09 -0.18 0.21 -1.01 1.55 0.00 0.00 175.35 175.83 2dxb s HIS 124 N 1.37 3.31 -0.10 4.03 3.76 -1.26 -0.65 115.29 125.75 2dxb s HIS 124 Ca -0.04 0.04 -0.08 0.00 -0.15 0.00 0.00 55.06 54.83 2dxb s HIS 124 Cb -0.13 -1.58 0.03 0.00 1.11 0.00 0.00 32.58 32.01 2dxb s HIS 124 CO -0.02 0.52 0.26 0.54 -0.85 0.00 0.00 174.74 175.18 2dxb s VAL 125 N -1.77 -0.01 0.11 -0.90 0.11 -0.82 -4.50 120.40 112.61 2dxb s VAL 125 Ca 0.33 0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.47 2dxb s VAL 125 Cb -0.10 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 2dxb s VAL 125 CO 0.26 0.02 0.01 -0.69 -3.33 0.00 0.00 175.10 171.37 2dxb s VAL 126 N 0.48 4.02 0.24 2.04 1.01 -0.25 -0.95 120.40 126.99 2dxb s VAL 126 Ca -0.03 -1.06 -0.21 0.00 0.00 0.00 0.00 61.98 60.68 2dxb s VAL 126 Cb -0.04 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.43 2dxb s VAL 126 CO -0.03 0.07 0.67 0.54 0.00 0.00 0.00 175.10 176.35 2dxb s VAL 127 N -1.41 0.00 -0.37 2.92 0.11 -0.47 -4.94 120.40 116.24 2dxb s VAL 127 Ca 0.26 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 2dxb s VAL 127 Cb -0.11 -1.67 0.13 0.00 -1.53 0.00 0.00 36.38 33.19 2dxb s VAL 127 CO 0.19 -0.00 0.19 0.00 -3.33 0.00 0.00 175.10 172.14 2dxb h THR 129 N 5.56 1.07 0.03 0.00 1.35 -1.87 -3.36 112.91 115.70 2dxb h THR 129 Ca -0.03 -0.23 -0.22 0.00 -0.55 0.00 0.00 66.41 65.37 2dxb h THR 129 Cb 0.97 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 2dxb h THR 129 CO 0.41 0.09 -0.98 -0.07 -0.25 0.00 0.00 175.52 174.71 2dxb h LEU 130 N 0.23 0.32 -9.24 3.87 3.38 -1.91 -3.47 115.31 108.48 2dxb h LEU 130 Ca 0.06 -0.28 -0.63 0.00 0.09 0.00 0.00 57.88 57.11 2dxb h LEU 130 Cb 0.06 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 40.55 2dxb h LEU 130 CO -0.01 1.13 -0.75 -0.94 0.09 0.00 0.00 178.44 177.96 2dxb s SER 132 N -6.99 4.02 0.00 -0.43 1.04 -1.26 -5.20 113.70 104.88 2dxb s SER 132 Ca -0.03 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2dxb s SER 132 Cb 0.09 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.63 2dxb s SER 132 CO 0.85 0.11 0.00 0.00 0.98 0.00 0.00 173.24 175.17 2dxb n TYR 134 N 0.08 0.00 -1.30 5.02 9.36 -1.26 -4.95 117.16 124.12 2dxb n TYR 134 Ca -0.11 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.73 2dxb n TYR 134 Cb 0.56 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.24 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 -1.00 3.55 -0.28 2.98 -0.04 -1.26 -4.77 135.00 134.18 2dxb n PRO 135 Ca 0.00 -2.17 0.05 0.00 -0.04 0.00 0.00 63.50 61.34 2dxb n PRO 135 Cb 0.00 -2.81 0.15 0.00 -0.04 0.00 0.00 33.50 30.81 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 5.15 0.06 -0.98 0.54 3.08 -1.94 -0.11 114.38 120.18 2dxb h ARG 136 Ca 0.84 -0.00 0.25 0.00 0.07 0.00 0.00 59.98 61.13 2dxb h ARG 136 Cb 0.29 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.26 2dxb h ARG 136 CO 1.77 0.04 0.66 -1.35 -1.07 0.00 0.00 179.97 180.02 2dxb h PRO 137 N 0.06 0.28 0.00 0.04 0.11 -1.86 0.66 132.00 131.29 2dxb h PRO 137 Ca 0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.52 2dxb h PRO 137 Cb 0.74 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2dxb h PRO 137 CO -0.75 0.19 -0.94 1.51 -0.21 0.00 0.00 178.00 177.80 2dxb n ILE 138 N -4.47 0.00 0.03 4.15 3.06 -0.70 -4.73 119.36 116.69 2dxb n ILE 138 Ca 0.22 -0.25 0.02 0.00 -2.50 0.00 0.00 62.75 60.24 2dxb n ILE 138 Cb 0.87 0.63 -0.03 0.00 0.54 0.00 0.00 39.64 41.65 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 -1.53 0.03 0.00 9.51 -0.00 -0.14 -2.53 117.00 122.35 2dxb n LEU 139 Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 2dxb n LEU 139 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 2dxb n LEU 139 CO 0.18 0.01 0.00 0.61 -0.00 0.00 0.00 177.39 178.19 2dxb n GLY 140 N 2.09 -1.82 3.81 -3.96 0.00 0.20 -2.15 105.19 103.36 2dxb n GLY 140 Ca -0.00 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 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 4.31 0.54 1.61 2.00 -1.26 -3.89 119.66 122.96 2dxb s GLN 141 Ca 0.00 0.99 -0.20 0.00 -2.00 0.00 0.00 55.36 54.15 2dxb s GLN 141 Cb 0.00 -2.75 -0.06 0.00 0.80 0.00 0.00 33.01 31.01 2dxb s GLN 141 CO 0.00 0.30 1.14 -1.54 -0.50 0.00 0.00 175.29 174.69 2dxb s SER 142 N -1.76 5.74 0.63 6.67 1.04 -1.26 -5.01 113.70 119.74 2dxb s SER 142 Ca 0.48 2.21 -0.17 0.00 0.48 0.00 0.00 55.95 58.96 2dxb s SER 142 Cb -0.16 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.36 2dxb s SER 142 CO 0.21 -1.21 1.13 -2.84 0.98 0.00 0.00 173.24 171.50 2dxb s PRO 143 N -3.21 2.93 0.18 4.02 0.02 -1.26 -4.95 135.00 132.73 2dxb s PRO 143 Ca 0.72 1.50 -0.13 0.00 0.02 0.00 0.00 61.00 63.11 2dxb s PRO 143 Cb -0.25 -1.96 0.11 0.00 0.02 0.00 0.00 34.50 32.42 2dxb s PRO 143 CO 0.28 -1.16 1.80 1.49 -0.33 0.00 0.00 177.00 179.08 2dxb h GLU 144 N 0.40 0.54 -0.13 5.54 4.57 -2.00 -2.41 114.58 121.09 2dxb h GLU 144 Ca -0.48 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.62 2dxb h GLU 144 Cb 1.26 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 2dxb h GLU 144 CO 0.55 0.36 -0.16 0.11 -1.18 0.00 0.00 179.01 178.69 2dxb h TRP 145 N 0.56 0.22 0.00 0.92 5.08 -1.97 -2.16 115.95 118.59 2dxb h TRP 145 Ca 0.21 -0.03 -0.01 0.00 1.08 0.00 0.00 58.89 60.14 2dxb h TRP 145 Cb 0.07 -0.06 -0.00 0.00 -3.00 0.00 0.00 29.16 26.17 2dxb h TRP 145 CO -0.08 0.37 -0.06 -0.92 -1.28 0.00 0.00 178.44 176.47 2dxb h TYR 146 N 0.20 0.00 0.00 0.12 3.20 -1.81 -1.52 116.97 117.17 2dxb h TYR 146 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2dxb h TYR 146 Cb 0.40 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.67 2dxb h TYR 146 CO 0.01 0.06 -0.44 0.54 -1.64 0.00 0.00 178.16 176.68 2dxb n ARG 147 N -4.43 0.15 -2.05 1.82 1.74 -0.83 -4.69 116.66 108.37 2dxb n ARG 147 Ca -0.03 0.06 -0.39 0.00 -0.77 0.00 0.00 57.85 56.72 2dxb n ARG 147 Cb 0.14 -1.61 -0.00 0.00 -1.02 0.00 0.00 32.46 29.97 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 -3.67 6.25 0.51 0.55 1.04 -0.57 -4.90 113.70 112.91 2dxb s SER 148 Ca 0.09 2.64 0.16 0.00 0.48 0.00 0.00 55.95 59.32 2dxb s SER 148 Cb 0.15 -2.64 1.25 0.00 0.10 0.00 0.00 66.02 64.89 2dxb s SER 148 CO 0.68 -0.89 2.13 -0.65 0.98 0.00 0.00 173.24 175.48 2dxb h PRO 149 N 2.57 0.00 0.06 4.02 0.11 -1.92 -2.14 132.00 134.70 2dxb h PRO 149 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2dxb h PRO 149 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2dxb h PRO 149 CO 0.62 0.03 -0.03 -0.97 -0.21 0.00 0.00 178.00 177.44 2dxb h ASN 150 N 0.00 -0.07 -0.51 -2.05 -0.73 -1.91 0.89 115.58 111.20 2dxb h ASN 150 Ca -0.00 -0.09 -0.06 0.00 1.87 0.00 0.00 56.30 58.03 2dxb h ASN 150 Cb 0.05 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 2dxb h ASN 150 CO 0.00 0.04 0.09 0.22 -0.37 0.00 0.00 177.43 177.42 2dxb h TYR 151 N -0.17 0.89 0.00 0.67 3.20 -1.70 -2.05 116.97 117.80 2dxb h TYR 151 Ca -0.01 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 61.71 2dxb h TYR 151 Cb 0.15 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 2dxb h TYR 151 CO -0.04 0.80 -0.17 0.00 -1.64 0.00 0.00 178.16 177.11 2dxb h ARG 152 N 0.72 0.00 0.11 1.82 3.08 -1.27 -2.33 114.38 116.51 2dxb h ARG 152 Ca 0.16 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.95 2dxb h ARG 152 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2dxb h ARG 152 CO 0.01 0.17 -1.27 0.00 -1.07 0.00 0.00 179.97 177.80 2dxb h ARG 153 N 0.00 0.23 0.20 0.04 3.08 -0.55 -3.43 114.38 113.96 2dxb h ARG 153 Ca -0.00 -0.40 -0.35 0.00 0.07 0.00 0.00 59.98 59.30 2dxb h ARG 153 Cb 0.49 0.15 0.02 0.00 0.08 0.00 0.00 29.97 30.70 2dxb h ARG 153 CO 0.02 1.19 -1.67 0.00 -1.07 0.00 0.00 179.97 178.44 2dxb h ARG 154 N -0.37 0.43 -0.65 0.04 3.08 -1.35 -3.41 114.38 112.16 2dxb h ARG 154 Ca -0.27 -0.74 0.13 0.00 0.07 0.00 0.00 59.98 59.17 2dxb h ARG 154 Cb 1.70 0.27 -0.10 0.00 0.08 0.00 0.00 29.97 31.92 2dxb h ARG 154 CO 0.06 1.35 0.10 1.25 -1.07 0.00 0.00 179.97 181.66 2dxb h LEU 155 N 0.10 -0.09 -1.67 3.04 5.85 -1.66 0.20 115.31 121.08 2dxb h LEU 155 Ca -0.32 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 2dxb h LEU 155 Cb 2.11 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 43.34 2dxb h LEU 155 CO 0.20 -0.05 -0.19 -0.37 -0.34 0.00 0.00 178.44 177.69 2dxb h VAL 156 N 0.21 0.84 0.00 1.05 -1.51 -1.83 -2.53 116.25 112.48 2dxb h VAL 156 Ca 0.35 -0.74 -0.35 0.00 -1.23 0.00 0.00 66.70 64.72 2dxb h VAL 156 Cb 0.56 1.44 -0.06 0.00 -2.13 0.00 0.00 31.29 31.09 2dxb h VAL 156 CO -0.48 0.19 -2.33 -1.14 -1.23 0.00 0.00 177.57 172.58 2dxb n ARG 157 N -3.87 0.76 -2.69 5.19 0.63 -0.71 -4.69 116.66 111.28 2dxb n ARG 157 Ca -0.02 0.07 -0.21 0.00 -0.92 0.00 0.00 57.85 56.77 2dxb n ARG 157 Cb 0.29 -1.48 -0.00 0.00 0.45 0.00 0.00 32.46 31.71 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 -2.95 2.57 -0.25 -0.14 8.01 0.63 -4.94 117.44 120.36 2dxb n TRP 158 Ca -0.37 -3.27 0.05 0.00 -1.31 0.00 0.00 57.50 52.60 2dxb n TRP 158 Cb 1.03 -0.27 0.18 0.00 -2.01 0.00 0.00 31.31 30.24 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 2.81 0.44 -0.71 -0.99 0.13 -1.61 -1.63 132.00 130.45 2dxb h PRO 159 Ca 0.14 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.29 2dxb h PRO 159 Cb 0.92 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.90 2dxb h PRO 159 CO 0.71 0.29 0.43 0.00 -0.23 0.00 0.00 178.00 179.20 2dxb h ARG 160 N 0.45 0.79 -0.31 0.86 2.47 -1.92 0.48 114.38 117.20 2dxb h ARG 160 Ca 0.40 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.98 2dxb h ARG 160 Cb 0.59 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 2dxb h ARG 160 CO -0.39 0.52 -0.19 1.96 0.56 0.00 0.00 179.97 182.43 2dxb h GLN 161 N 0.81 0.67 -0.15 0.04 7.50 -1.79 -1.39 115.11 120.81 2dxb h GLN 161 Ca 0.30 -0.31 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 2dxb h GLN 161 Cb 0.10 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.61 2dxb h GLN 161 CO -0.14 0.91 0.04 0.28 -1.50 0.00 0.00 178.83 178.42 2dxb h VAL 162 N 0.43 1.20 -0.84 -0.54 2.07 -1.04 -2.18 116.25 115.35 2dxb h VAL 162 Ca 0.06 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.98 2dxb h VAL 162 Cb 0.73 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2dxb h VAL 162 CO 0.05 0.18 0.55 -0.07 0.02 0.00 0.00 177.57 178.31 2dxb h LEU 163 N 0.04 0.95 -1.27 2.57 3.38 -0.91 -0.98 115.31 119.10 2dxb h LEU 163 Ca 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2dxb h LEU 163 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2dxb h LEU 163 CO 0.00 0.69 0.36 0.00 0.09 0.00 0.00 178.44 179.57 2dxb h ALA 164 N 1.48 1.45 -0.30 1.53 0.00 -1.01 0.65 119.26 123.05 2dxb h ALA 164 Ca 0.31 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2dxb h ALA 164 Cb -0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2dxb h ALA 164 CO -0.07 0.46 -0.05 0.93 0.00 0.00 0.00 179.25 180.53 2dxb h GLU 165 N 0.87 0.48 0.00 0.00 5.08 -0.55 0.78 114.58 121.24 2dxb h GLU 165 Ca 0.22 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2dxb h GLU 165 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2dxb h GLU 165 CO -0.04 0.55 0.00 1.19 -1.00 0.00 0.00 179.01 179.71 2dxb n PHE 166 N -4.26 0.00 -1.16 4.33 3.01 -0.19 -4.88 117.46 114.31 2dxb n PHE 166 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2dxb n PHE 166 Cb 0.27 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 2dxb n PHE 166 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dxb n GLY 167 N 0.98 0.54 3.17 1.37 0.00 0.27 -4.93 105.19 106.59 2dxb n GLY 167 Ca 0.22 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 2.06 0.00 0.99 2.96 0.04 -4.98 118.68 119.76 2dxb s LEU 168 Ca 0.00 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.37 2dxb s LEU 168 Cb 0.00 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.29 2dxb s LEU 168 CO 0.00 0.10 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.46 2dxb s GLN 169 N 0.67 0.70 0.13 1.98 0.74 -1.26 -2.67 119.66 119.94 2dxb s GLN 169 Ca -0.11 -0.37 0.06 0.00 0.05 0.00 0.00 55.36 54.98 2dxb s GLN 169 Cb -0.16 -0.66 -0.04 0.00 1.10 0.00 0.00 33.01 33.25 2dxb s GLN 169 CO 0.02 0.18 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.29 2dxb s LEU 170 N -0.38 2.42 0.54 3.68 1.43 -1.26 -5.12 118.68 119.99 2dxb s LEU 170 Ca 0.02 -0.84 -0.20 0.00 -1.03 0.00 0.00 54.13 52.09 2dxb s LEU 170 Cb -0.04 -0.52 -0.08 0.00 0.03 0.00 0.00 46.19 45.58 2dxb s LEU 170 CO -0.00 -0.17 0.75 -2.65 0.23 0.00 0.00 176.35 174.51 2dxb n PRO 171 N 0.43 0.78 -0.01 1.29 -0.02 -1.26 -4.88 135.00 131.34 2dxb n PRO 171 Ca -0.15 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2dxb n PRO 171 Cb 0.57 -1.89 0.31 0.00 -0.02 0.00 0.00 33.50 32.47 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 0.59 0.50 0.15 2.55 4.64 -2.03 -2.49 113.55 117.45 2dxb h SER 172 Ca -0.46 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 60.70 2dxb h SER 172 Cb 1.38 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2dxb h SER 172 CO 0.50 0.54 -0.29 1.05 -0.87 0.00 0.00 176.83 177.76 2dxb h GLU 173 N 0.53 0.23 -6.80 4.77 9.09 -2.00 -3.44 114.58 116.95 2dxb h GLU 173 Ca 0.12 -0.08 -0.53 0.00 0.05 0.00 0.00 59.36 58.91 2dxb h GLU 173 Cb 0.26 -0.02 0.09 0.00 -1.65 0.00 0.00 28.75 27.43 2dxb h GLU 173 CO 0.00 0.50 0.88 0.28 0.05 0.00 0.00 179.01 180.72 2dxb n VAL 174 N -4.13 1.07 -2.67 -1.06 0.31 -0.94 -4.94 118.33 105.96 2dxb n VAL 174 Ca -0.01 -0.27 -0.43 0.00 -0.01 0.00 0.00 64.34 63.62 2dxb n VAL 174 Cb 0.39 -1.96 -0.02 0.00 -0.91 0.00 0.00 33.84 31.33 2dxb n VAL 174 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2dxb s GLN 175 N -0.58 3.92 -0.24 5.55 0.74 -0.03 -4.93 119.66 124.09 2dxb s GLN 175 Ca 0.63 0.81 -0.18 0.00 0.05 0.00 0.00 55.36 56.68 2dxb s GLN 175 Cb -0.49 -3.80 -0.03 0.00 1.10 0.00 0.00 33.01 29.79 2dxb s GLN 175 CO 0.49 -1.04 0.52 0.42 -0.55 0.00 0.00 175.29 175.13 2dxb s ILE 176 N 3.81 5.08 -0.20 -2.34 -1.09 -1.26 -0.87 121.20 124.34 2dxb s ILE 176 Ca 0.44 0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 59.75 2dxb s ILE 176 Cb -0.11 -3.84 -0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2dxb s ILE 176 CO 0.20 0.11 -0.10 -0.60 -1.23 0.00 0.00 174.94 173.32 2dxb s ARG 177 N 2.11 3.25 -0.14 2.79 3.52 0.17 -4.96 118.95 125.71 2dxb s ARG 177 Ca 0.22 -0.70 -0.18 0.00 -0.13 0.00 0.00 55.73 54.94 2dxb s ARG 177 Cb -0.16 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 2dxb s ARG 177 CO 0.09 -0.15 0.49 0.08 -0.81 0.00 0.00 175.30 175.01 2dxb s VAL 178 N 1.27 5.17 -0.25 7.11 1.01 -1.26 -1.95 120.40 131.49 2dxb s VAL 178 Ca 0.03 0.96 -0.07 0.00 0.00 0.00 0.00 61.98 62.90 2dxb s VAL 178 Cb -0.14 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 2dxb s VAL 178 CO -0.05 0.29 0.06 0.00 0.00 0.00 0.00 175.10 175.40 2dxb s ALA 179 N 0.88 3.13 -0.42 5.51 0.00 -0.13 -4.96 121.76 125.76 2dxb s ALA 179 Ca 0.26 -1.17 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 2dxb s ALA 179 Cb -0.15 -2.06 0.08 0.00 0.00 0.00 0.00 23.12 20.99 2dxb s ALA 179 CO 0.10 -0.53 0.27 0.34 0.00 0.00 0.00 175.76 175.94 2dxb s ASP 180 N 1.59 5.64 -1.19 0.00 -1.08 -1.26 -1.36 116.67 119.01 2dxb s ASP 180 Ca 0.06 -1.53 -0.19 0.00 -0.52 0.00 0.00 52.55 50.37 2dxb s ASP 180 Cb -0.15 -1.99 0.08 0.00 -1.46 0.00 0.00 42.92 39.40 2dxb s ASP 180 CO 0.03 -0.55 1.59 -0.94 0.52 0.00 0.00 175.17 175.82 2dxb s SER 181 N 2.15 6.77 0.00 -0.34 1.04 -0.22 -4.73 113.70 118.38 2dxb s SER 181 Ca 0.03 -2.24 0.24 0.00 0.48 0.00 0.00 55.95 54.46 2dxb s SER 181 Cb -0.23 -2.54 0.28 0.00 0.10 0.00 0.00 66.02 63.62 2dxb s SER 181 CO 0.02 -1.20 1.26 -0.46 0.98 0.00 0.00 173.24 173.84 2dxb n ASN 182 N 8.07 1.31 0.00 7.02 6.94 -1.26 -4.73 115.26 132.60 2dxb n ASN 182 Ca 0.42 -1.04 0.00 0.00 -0.02 0.00 0.00 54.58 53.93 2dxb n ASN 182 Cb 0.47 0.42 0.00 0.00 -2.36 0.00 0.00 39.78 38.31 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 -0.69 1.13 0.00 -3.83 1.13 -1.26 -5.03 117.38 108.83 2dxb n GLN 183 Ca 0.09 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.28 2dxb n GLN 183 Cb 0.39 0.00 0.40 0.00 0.11 0.00 0.00 30.24 31.14 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 1.14 -3.20 -1.09 5.02 -1.26 -4.91 118.16 113.86 2dxb n LYS 184 Ca 0.00 -0.69 -0.37 0.00 -2.02 0.00 0.00 58.31 55.24 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 -2.34 4.67 0.08 -0.18 2.01 -1.26 -4.32 115.64 114.30 2dxb s THR 185 Ca 0.28 1.17 0.08 0.00 0.31 0.00 0.00 61.69 63.53 2dxb s THR 185 Cb 0.20 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 2dxb s THR 185 CO 0.46 0.31 -0.21 -0.13 -0.69 0.00 0.00 174.62 174.36 2dxb s ARG 186 N -1.75 1.22 0.14 4.92 1.81 -1.06 -4.75 118.95 119.48 2dxb s ARG 186 Ca 0.38 -1.07 0.07 0.00 -1.72 0.00 0.00 55.73 53.40 2dxb s ARG 186 Cb -0.17 -1.42 -0.04 0.00 -0.45 0.00 0.00 34.95 32.87 2dxb s ARG 186 CO 0.20 0.34 -0.17 0.71 -0.68 0.00 0.00 175.30 175.71 2dxb s TYR 187 N -1.02 1.64 0.03 -0.53 2.02 -1.26 -0.87 117.35 117.37 2dxb s TYR 187 Ca 0.07 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 2dxb s TYR 187 Cb -0.09 -0.85 -0.02 0.00 -0.40 0.00 0.00 41.96 40.60 2dxb s TYR 187 CO 0.03 0.23 -0.08 0.96 -1.57 0.00 0.00 175.55 175.12 2dxb s ILE 188 N -1.92 0.60 -0.17 2.71 -4.36 -1.14 -4.52 121.20 112.41 2dxb s ILE 188 Ca 0.11 -0.92 -0.09 0.00 -0.26 0.00 0.00 60.65 59.49 2dxb s ILE 188 Cb -0.06 -0.62 -0.05 0.00 1.25 0.00 0.00 42.46 42.98 2dxb s ILE 188 CO 0.05 -0.24 0.14 -0.69 0.24 0.00 0.00 174.94 174.44 2dxb s VAL 189 N -1.08 5.44 -0.54 8.37 1.01 0.51 -1.91 120.40 132.21 2dxb s VAL 189 Ca -0.06 0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 2dxb s VAL 189 Cb -0.08 -3.45 0.13 0.00 0.00 0.00 0.00 36.38 32.98 2dxb s VAL 189 CO 0.00 0.51 0.45 -0.32 0.00 0.00 0.00 175.10 175.75 2dxb s MET 190 N -0.18 2.81 0.85 2.72 1.75 0.69 -4.43 119.30 123.51 2dxb s MET 190 Ca 0.11 -1.82 -0.11 0.00 -1.25 0.00 0.00 55.69 52.62 2dxb s MET 190 Cb -0.12 -4.14 0.10 0.00 2.84 0.00 0.00 34.83 33.52 2dxb s MET 190 CO 0.01 -1.27 1.09 -1.25 -0.65 0.00 0.00 175.02 172.95 2dxb s PRO 191 N 1.34 1.68 0.37 4.11 0.04 -1.26 -0.78 135.00 140.48 2dxb s PRO 191 Ca 0.06 0.81 -0.26 0.00 0.04 0.00 0.00 61.00 61.64 2dxb s PRO 191 Cb -0.27 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2dxb s PRO 191 CO 0.00 -1.95 1.14 0.14 0.04 0.00 0.00 177.00 176.37 2dxb s VAL 192 N -3.00 3.32 0.10 -0.36 -7.23 -1.26 -4.77 120.40 107.21 2dxb s VAL 192 Ca 0.62 1.15 -0.31 0.00 -1.81 0.00 0.00 61.98 61.63 2dxb s VAL 192 Cb -0.17 -3.66 -0.08 0.00 0.56 0.00 0.00 36.38 33.03 2dxb s VAL 192 CO 0.56 0.14 1.52 -0.60 -0.31 0.00 0.00 175.10 176.40 2dxb s ARG 193 N -2.12 4.25 0.62 4.82 3.52 -1.26 -4.79 118.95 123.98 2dxb s ARG 193 Ca 0.54 2.22 -0.14 0.00 -0.13 0.00 0.00 55.73 58.21 2dxb s ARG 193 Cb -0.30 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 2dxb s ARG 193 CO 0.38 -0.59 1.05 -1.25 -0.81 0.00 0.00 175.30 174.08 2dxb s PRO 194 N 1.68 3.27 0.77 5.12 0.04 -1.26 -5.04 135.00 139.59 2dxb s PRO 194 Ca 0.69 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 2dxb s PRO 194 Cb -0.39 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.18 2dxb s PRO 194 CO 0.31 -0.84 1.10 -1.21 0.04 0.00 0.00 177.00 176.40 2dxb s GLU 195 N -4.37 2.17 -0.00 4.56 8.01 -1.26 -3.92 118.70 123.89 2dxb s GLU 195 Ca 0.61 1.26 0.00 0.00 0.01 0.00 0.00 54.97 56.85 2dxb s GLU 195 Cb -0.15 -1.88 0.00 0.00 -4.31 0.00 0.00 34.13 27.79 2dxb s GLU 195 CO 0.42 -1.72 0.00 0.41 0.01 0.00 0.00 175.26 174.38 2dxb n GLY 196 N -0.90 0.38 0.14 -1.39 0.00 -1.26 -4.75 105.19 97.41 2dxb n GLY 196 Ca 0.10 -1.00 0.06 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.48 1.26 -1.68 2.61 -2.24 -1.25 -4.93 114.28 104.57 2dxb n THR 197 Ca -0.00 -1.49 -0.45 0.00 -2.27 0.00 0.00 64.05 59.84 2dxb n THR 197 Cb 0.24 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 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 -0.92 3.35 0.00 3.42 8.00 -1.26 -1.49 116.55 127.65 2dxb n ASP 198 Ca 0.09 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.66 2dxb n ASP 198 Cb 0.58 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 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 3.62 1.62 3.73 0.44 0.00 -1.26 -5.00 105.19 108.33 2dxb n GLY 199 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.39 2.07 0.76 1.61 0.52 -0.56 -5.02 118.94 114.93 2dxb s TRP 200 Ca 0.00 1.48 -0.05 0.00 0.02 0.00 0.00 56.10 57.55 2dxb s TRP 200 Cb 0.00 -3.71 0.13 0.00 -1.15 0.00 0.00 33.47 28.74 2dxb s TRP 200 CO 0.00 -2.96 1.06 0.95 0.02 0.00 0.00 176.95 176.02 2dxb s THR 201 N -1.38 2.16 0.14 2.01 -4.23 -1.26 -4.90 115.64 108.17 2dxb s THR 201 Ca 0.83 -0.41 -0.17 0.00 -1.18 0.00 0.00 61.69 60.76 2dxb s THR 201 Cb -0.38 -2.74 -0.00 0.00 1.34 0.00 0.00 72.50 70.72 2dxb s THR 201 CO 0.40 0.00 1.77 -0.08 -0.54 0.00 0.00 174.62 176.17 2dxb h GLU 202 N -0.76 0.52 -0.22 3.99 4.81 -1.95 -1.85 114.58 119.11 2dxb h GLU 202 Ca -0.40 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 2dxb h GLU 202 Cb 1.27 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 2dxb h GLU 202 CO 0.43 0.39 0.12 -0.44 -0.73 0.00 0.00 179.01 178.78 2dxb h ASP 203 N 0.49 0.18 -0.84 1.04 3.32 -1.98 0.78 116.42 119.40 2dxb h ASP 203 Ca 0.14 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.26 2dxb h ASP 203 Cb 0.01 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 2dxb h ASP 203 CO -0.02 0.14 0.51 1.56 -1.72 0.00 0.00 179.24 179.71 2dxb h GLN 204 N 0.25 0.90 -0.08 3.56 4.20 -1.89 -1.12 115.11 120.92 2dxb h GLN 204 Ca 0.09 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 2dxb h GLN 204 Cb 0.01 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.59 2dxb h GLN 204 CO -0.05 0.60 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.47 2dxb h LEU 205 N 0.93 0.29 -1.69 1.46 3.38 -0.98 -3.13 115.31 115.56 2dxb h LEU 205 Ca 0.37 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.85 2dxb h LEU 205 Cb 0.20 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2dxb h LEU 205 CO -0.18 0.80 0.33 0.00 0.09 0.00 0.00 178.44 179.47 2dxb h ALA 206 N 0.50 1.97 -0.43 1.53 0.00 -0.62 -2.25 119.26 119.96 2dxb h ALA 206 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2dxb h ALA 206 Cb 0.75 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2dxb h ALA 206 CO 0.04 -0.06 0.29 1.49 0.00 0.00 0.00 179.25 181.00 2dxb h GLU 207 N 0.37 0.46 -0.12 0.00 4.81 -1.15 -2.43 114.58 116.52 2dxb h GLU 207 Ca 0.21 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2dxb h GLU 207 Cb 0.37 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2dxb h GLU 207 CO -0.05 0.30 0.00 0.44 -0.73 0.00 0.00 179.01 178.97 2dxb n ILE 208 N -4.48 0.14 -3.12 2.32 -5.35 -0.85 -4.50 119.36 103.53 2dxb n ILE 208 Ca 0.04 -0.43 -0.45 0.00 -0.27 0.00 0.00 62.75 61.64 2dxb n ILE 208 Cb 0.15 0.84 -0.03 0.00 -1.74 0.00 0.00 39.64 38.85 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 -1.86 5.02 0.72 7.28 1.01 -0.92 -4.31 120.40 127.35 2dxb s VAL 209 Ca 0.34 -1.59 -0.07 0.00 0.00 0.00 0.00 61.98 60.65 2dxb s VAL 209 Cb 0.20 -4.57 0.07 0.00 0.00 0.00 0.00 36.38 32.08 2dxb s VAL 209 CO 0.31 -1.22 1.04 0.42 0.00 0.00 0.00 175.10 175.65 2dxb s THR 210 N 1.97 2.23 0.18 3.92 -4.23 -1.26 -4.66 115.64 113.78 2dxb s THR 210 Ca 0.20 -0.24 -0.14 0.00 -1.18 0.00 0.00 61.69 60.34 2dxb s THR 210 Cb -0.14 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.80 2dxb s THR 210 CO -0.03 0.00 1.72 -0.09 -0.54 0.00 0.00 174.62 175.68 2dxb h ARG 211 N -0.68 0.21 -0.58 3.99 2.43 -1.96 -0.66 114.38 117.13 2dxb h ARG 211 Ca -0.44 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.77 2dxb h ARG 211 Cb 1.32 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 2dxb h ARG 211 CO 0.60 0.14 0.38 -0.44 -1.51 0.00 0.00 179.97 179.14 2dxb h ASP 212 N 0.22 0.48 -0.25 -3.80 3.32 -1.94 -0.87 116.42 113.58 2dxb h ASP 212 Ca 0.23 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 2dxb h ASP 212 Cb 0.30 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2dxb h ASP 212 CO -0.31 0.32 -0.30 0.00 -1.72 0.00 0.00 179.24 177.23 2dxb h LEU 214 N 0.64 0.00 0.06 0.00 3.38 -0.41 -2.58 115.31 116.40 2dxb h LEU 214 Ca 0.08 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.72 2dxb h LEU 214 Cb 0.82 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2dxb h LEU 214 CO 0.07 0.03 -1.86 -0.38 0.09 0.00 0.00 178.44 176.39 2dxb n ILE 215 N -3.14 1.69 0.00 1.22 5.41 -0.73 -0.36 119.36 123.45 2dxb n ILE 215 Ca 0.01 -0.73 0.00 0.00 1.00 0.00 0.00 62.75 63.02 2dxb n ILE 215 Cb 0.33 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 37.90 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 1.77 0.98 0.52 7.39 0.00 -0.16 -1.09 105.19 114.59 2dxb n GLY 216 Ca -0.24 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.99 0.16 -3.72 1.61 0.24 -0.94 -4.65 118.33 110.03 2dxb n VAL 217 Ca 0.00 -0.32 -0.10 0.00 -2.04 0.00 0.00 64.34 61.88 2dxb n VAL 217 Cb 0.00 0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 32.70 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 -1.84 -0.67 0.10 2.33 0.00 -1.18 -4.68 121.76 115.82 2dxb s ALA 218 Ca 0.34 -0.28 0.10 0.00 0.00 0.00 0.00 51.96 52.12 2dxb s ALA 218 Cb 0.18 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 2dxb s ALA 218 CO 0.28 -0.62 -0.26 0.14 0.00 0.00 0.00 175.76 175.30 2dxb s VAL 219 N -3.84 2.18 0.37 0.00 -7.23 -1.26 -4.11 120.40 106.51 2dxb s VAL 219 Ca 0.05 -1.63 -0.27 0.00 -1.81 0.00 0.00 61.98 58.31 2dxb s VAL 219 Cb 0.03 -1.92 -0.10 0.00 0.56 0.00 0.00 36.38 34.95 2dxb s VAL 219 CO -0.10 0.16 1.31 -2.16 -0.31 0.00 0.00 175.10 174.00 2dxb s PRO 220 N -1.80 4.18 -0.03 4.82 0.04 -1.26 -4.97 135.00 135.99 2dxb s PRO 220 Ca 0.13 2.19 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 2dxb s PRO 220 Cb -0.10 -2.93 0.02 0.00 0.04 0.00 0.00 34.50 31.54 2dxb s PRO 220 CO 0.05 -0.33 0.05 0.15 0.04 0.00 0.00 177.00 176.96 2dxb s LYS 221 N -2.00 0.00 0.20 4.56 1.02 -1.26 -4.62 119.74 117.64 2dxb s LYS 221 Ca 0.53 0.18 -0.32 0.00 0.02 0.00 0.00 55.97 56.37 2dxb s LYS 221 Cb -0.39 -0.17 -0.13 0.00 -0.52 0.00 0.00 37.83 36.62 2dxb s LYS 221 CO 0.51 -0.12 1.59 -2.30 -0.92 0.00 0.00 175.35 174.10 2dxb n PRO 222 N 3.89 2.36 0.00 -1.68 -0.02 -1.26 -1.42 135.00 136.87 2dxb n PRO 222 Ca -0.23 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2dxb n PRO 222 Cb 0.53 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 3.17 3.24 3.48 -1.23 0.00 -1.26 -5.02 105.19 107.58 2dxb n GLY 223 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.99 5.25 -0.30 -0.61 1.09 -0.50 -4.91 121.20 118.22 2dxb s ILE 224 Ca 0.00 -0.50 0.07 0.00 -1.10 0.00 0.00 60.65 59.12 2dxb s ILE 224 Cb 0.00 -3.88 0.17 0.00 -1.06 0.00 0.00 42.46 37.69 2dxb s ILE 224 CO 0.00 -0.23 1.13 0.35 -0.10 0.00 0.00 174.94 176.09 2dxb n THR 225 N 5.17 1.22 -3.96 2.92 -2.24 -1.26 -4.45 114.28 111.69 2dxb n THR 225 Ca -0.11 -1.24 -0.09 0.00 -2.27 0.00 0.00 64.05 60.34 2dxb n THR 225 Cb 0.48 0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 2dxb n THR 225 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2dxb s VAL 226 N -1.40 0.13 0.73 2.28 -7.23 -1.26 -4.91 120.40 108.75 2dxb s VAL 226 Ca 0.14 -1.11 -0.16 0.00 -1.81 0.00 0.00 61.98 59.05 2dxb s VAL 226 Cb 0.10 -0.80 0.03 0.00 0.56 0.00 0.00 36.38 36.27 2dxb s VAL 226 CO 0.06 -0.61 1.11 0.59 -0.31 0.00 0.00 175.10 175.93 2dxb n ASN 227 N 0.92 0.97 -4.75 4.85 3.02 -1.26 -4.88 115.26 114.13 2dxb n ASN 227 Ca -0.20 0.67 -0.42 0.00 -0.03 0.00 0.00 54.58 54.61 2dxb n ASN 227 Cb 0.58 -1.47 -0.01 0.00 -0.61 0.00 0.00 39.78 38.27 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 -2.64 2.34 -2.10 5.41 0.00 -1.26 -4.89 120.51 117.37 2dxb n ALA 228 Ca 0.14 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.52 2dxb n ALA 228 Cb 0.49 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 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 -1.19 4.28 0.12 0.00 2.20 -1.26 -5.00 119.74 118.88 2dxb s LYS 229 Ca 0.60 2.14 -0.01 0.00 -0.36 0.00 0.00 55.97 58.34 2dxb s LYS 229 Cb -0.50 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 2dxb s LYS 229 CO 0.55 -0.53 0.05 -0.98 -0.36 0.00 0.00 175.35 174.08 2dxb s ARG 230 N 1.51 0.89 0.40 4.03 1.70 -1.26 -5.13 118.95 121.09 2dxb s ARG 230 Ca 0.67 -1.42 -0.25 0.00 -0.47 0.00 0.00 55.73 54.26 2dxb s ARG 230 Cb -0.38 0.24 -0.11 0.00 -0.57 0.00 0.00 34.95 34.13 2dxb s ARG 230 CO 0.30 -0.24 1.10 -2.30 -1.08 0.00 0.00 175.30 173.08 2dxb n PRO 231 N -0.07 1.56 -4.08 3.89 -0.02 -1.26 -4.99 135.00 130.03 2dxb n PRO 231 Ca -0.06 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.65 2dxb n PRO 231 Cb 0.63 -2.13 -0.15 0.00 -0.02 0.00 0.00 33.50 31.83 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 -1.22 2.21 -0.09 -1.45 1.01 -1.26 -5.09 120.40 114.52 2dxb s VAL 232 Ca 0.61 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 2dxb s VAL 232 Cb -0.56 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2dxb s VAL 232 CO 0.58 0.20 1.04 -0.22 0.00 0.00 0.00 175.10 176.70 2dxb s LEU 233 N 1.19 4.26 0.38 3.92 2.96 -1.26 -5.02 118.68 125.12 2dxb s LEU 233 Ca -0.03 1.59 -0.20 0.00 -0.22 0.00 0.00 54.13 55.27 2dxb s LEU 233 Cb -0.17 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 2dxb s LEU 233 CO -0.08 -0.45 0.89 -0.54 -1.32 0.00 0.00 176.35 174.85 2dxb s LYS 234 N 1.95 4.24 0.29 1.98 1.02 -1.26 -5.06 119.74 122.90 2dxb s LYS 234 Ca 0.50 1.04 -0.08 0.00 0.02 0.00 0.00 55.97 57.45 2dxb s LYS 234 Cb -0.20 -2.36 -0.06 0.00 -0.52 0.00 0.00 37.83 34.69 2dxb s LYS 234 CO 0.19 0.08 0.61 0.00 -0.92 0.00 0.00 175.35 175.31 2dxb s ALA 235 N -2.02 3.53 0.17 5.17 0.00 -1.26 -4.99 121.76 122.37 2dxb s ALA 235 Ca 0.58 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 2dxb s ALA 235 Cb -0.11 -2.45 0.07 0.00 0.00 0.00 0.00 23.12 20.63 2dxb s ALA 235 CO 0.16 0.28 1.69 -0.97 0.00 0.00 0.00 175.76 176.92 2dxb h ASN 236 N 1.91 0.90 -2.38 0.00 -1.24 -2.06 -3.36 115.58 109.36 2dxb h ASN 236 Ca -0.47 -0.23 -0.59 0.00 0.71 0.00 0.00 56.30 55.72 2dxb h ASN 236 Cb 1.18 -0.24 -0.38 0.00 0.73 0.00 0.00 38.32 39.61 2dxb h ASN 236 CO 0.67 0.90 -0.97 -0.60 -1.29 0.00 0.00 177.43 176.13 2dxb s ARG 237 N -5.32 0.91 0.83 6.67 3.52 -1.26 -5.14 118.95 119.16 2dxb s ARG 237 Ca -0.12 -2.10 -0.12 0.00 -0.13 0.00 0.00 55.73 53.25 2dxb s ARG 237 Cb 0.13 -1.43 0.10 0.00 -1.56 0.00 0.00 34.95 32.18 2dxb s ARG 237 CO 0.82 -1.38 1.19 -1.25 -0.81 0.00 0.00 175.30 173.87 2dxb s PRO 238 N 0.07 1.50 0.00 5.12 0.04 -1.26 -5.26 135.00 135.21 2dxb s PRO 238 Ca 0.32 1.71 0.25 0.00 0.04 0.00 0.00 61.00 63.32 2dxb s PRO 238 Cb 0.03 -1.77 1.50 0.00 0.04 0.00 0.00 34.50 34.30 2dxb s PRO 238 CO -0.19 -2.31 1.86 0.28 0.04 0.00 0.00 177.00 176.68