#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 3.40 0.72 2.62 -7.23 -1.26 -5.13 120.40 113.52 2dxb s VAL 24 Ca 0.00 -1.40 -0.07 0.00 -1.81 0.00 0.00 61.98 58.69 2dxb s VAL 24 Cb 0.00 -2.64 0.07 0.00 0.56 0.00 0.00 36.38 34.36 2dxb s VAL 24 CO 0.00 0.00 1.03 -0.94 -0.31 0.00 0.00 175.10 174.89 2dxb s SER 25 N -2.54 4.75 0.42 4.85 1.04 -1.26 -4.93 113.70 116.03 2dxb s SER 25 Ca 0.24 0.46 0.17 0.00 0.48 0.00 0.00 55.95 57.30 2dxb s SER 25 Cb -0.10 -1.09 0.91 0.00 0.10 0.00 0.00 66.02 65.85 2dxb s SER 25 CO 0.15 -1.65 1.90 0.44 0.98 0.00 0.00 173.24 175.06 2dxb h ASP 26 N -0.65 0.00 -0.33 7.02 3.32 -2.00 -1.95 116.42 121.83 2dxb h ASP 26 Ca -0.44 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.53 2dxb h ASP 26 Cb 1.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 2dxb h ASP 26 CO 0.60 0.29 -0.11 -0.26 -1.72 0.00 0.00 179.24 178.04 2dxb h PHE 27 N 0.00 0.74 -0.38 4.55 0.04 -1.98 -1.01 116.94 118.89 2dxb h PHE 27 Ca -0.00 -0.17 -0.11 0.00 2.80 0.00 0.00 57.97 60.49 2dxb h PHE 27 Cb 0.56 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 2dxb h PHE 27 CO 0.00 0.84 -0.21 0.93 -0.60 0.00 0.00 178.31 179.26 2dxb h GLU 28 N 0.42 0.74 0.00 1.51 5.08 -1.86 0.18 114.58 120.66 2dxb h GLU 28 Ca 0.08 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2dxb h GLU 28 Cb 0.61 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2dxb h GLU 28 CO 0.04 0.89 -0.00 0.82 -1.00 0.00 0.00 179.01 179.76 2dxb h ILE 29 N 0.65 1.12 -0.55 3.13 1.08 -1.25 -2.15 117.51 119.54 2dxb h ILE 29 Ca 0.09 -0.36 -0.07 0.00 -0.39 0.00 0.00 64.86 64.14 2dxb h ILE 29 Cb 0.71 1.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.80 2dxb h ILE 29 CO 0.05 0.09 0.05 0.25 -0.69 0.00 0.00 178.15 177.91 2dxb h LEU 30 N -0.16 0.85 -0.45 1.44 5.85 -1.02 -1.79 115.31 120.05 2dxb h LEU 30 Ca -0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2dxb h LEU 30 Cb 0.15 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2dxb h LEU 30 CO 0.00 0.89 0.29 -0.08 -0.34 0.00 0.00 178.44 179.20 2dxb h GLU 31 N 0.84 0.59 -0.51 1.25 4.22 -0.53 -0.09 114.58 120.35 2dxb h GLU 31 Ca 0.17 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.56 2dxb h GLU 31 Cb 0.43 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2dxb h GLU 31 CO 0.01 0.40 0.28 0.52 -2.18 0.00 0.00 179.01 178.05 2dxb h MET 32 N 0.60 0.71 -0.09 1.92 2.86 -1.16 -1.69 114.93 118.08 2dxb h MET 32 Ca 0.16 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2dxb h MET 32 Cb -0.05 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 2dxb h MET 32 CO -0.03 0.55 0.01 0.00 1.06 0.00 0.00 176.91 178.50 2dxb h ALA 33 N 1.12 0.09 -0.22 6.32 0.00 -0.80 -0.87 119.26 124.90 2dxb h ALA 33 Ca 0.18 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2dxb h ALA 33 Cb 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2dxb h ALA 33 CO -0.03 -0.45 0.09 0.28 0.00 0.00 0.00 179.25 179.14 2dxb h VAL 34 N 0.05 1.16 -0.24 0.00 2.07 -0.91 -1.31 116.25 117.06 2dxb h VAL 34 Ca 0.04 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2dxb h VAL 34 Cb 0.04 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2dxb h VAL 34 CO -0.06 0.15 0.11 -0.09 0.02 0.00 0.00 177.57 177.70 2dxb h ARG 35 N 0.21 0.35 -0.69 1.57 2.43 -1.23 0.13 114.38 117.16 2dxb h ARG 35 Ca 0.07 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2dxb h ARG 35 Cb 0.16 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 2dxb h ARG 35 CO -0.01 0.37 0.28 0.93 -1.51 0.00 0.00 179.97 180.04 2dxb h GLU 36 N 0.25 1.04 -0.33 0.20 5.08 -1.14 -1.62 114.58 118.06 2dxb h GLU 36 Ca 0.08 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2dxb h GLU 36 Cb 0.14 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2dxb h GLU 36 CO -0.01 0.86 0.05 -0.07 -1.00 0.00 0.00 179.01 178.84 2dxb h LEU 37 N 0.99 0.52 -0.74 1.33 3.38 -1.05 -0.27 115.31 119.46 2dxb h LEU 37 Ca 0.23 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2dxb h LEU 37 Cb 0.21 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2dxb h LEU 37 CO -0.02 0.65 0.48 0.00 0.09 0.00 0.00 178.44 179.64 2dxb h ALA 38 N 0.89 0.95 -0.23 1.53 0.00 -0.79 -1.08 119.26 120.54 2dxb h ALA 38 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2dxb h ALA 38 Cb 0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2dxb h ALA 38 CO 0.01 0.31 -0.13 0.82 0.00 0.00 0.00 179.25 180.26 2dxb h ILE 39 N 0.96 1.31 -0.88 0.00 2.04 -1.18 0.40 117.51 120.16 2dxb h ILE 39 Ca 0.28 -1.23 0.08 0.00 1.00 0.00 0.00 64.86 64.99 2dxb h ILE 39 Cb -0.06 1.63 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 2dxb h ILE 39 CO -0.08 0.38 0.54 -0.33 0.00 0.00 0.00 178.15 178.65 2dxb h GLU 40 N 0.19 0.91 -0.01 2.37 5.08 -0.76 -0.58 114.58 121.78 2dxb h GLU 40 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2dxb h GLU 40 Cb 0.65 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2dxb h GLU 40 CO 0.04 0.60 0.00 1.63 -1.00 0.00 0.00 179.01 180.28 2dxb n LYS 41 N -4.64 1.12 -2.02 2.33 4.76 -0.43 -4.91 118.16 114.36 2dxb n LYS 41 Ca 0.14 -0.17 -0.11 0.00 -2.87 0.00 0.00 58.31 55.30 2dxb n LYS 41 Cb 0.23 -1.45 -0.01 0.00 -1.84 0.00 0.00 35.03 31.96 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 0.98 0.19 0.23 0.72 0.00 -0.23 -4.92 105.19 102.16 2dxb n GLY 42 Ca 0.21 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 0.95 -7.38 0.99 3.38 -1.14 -3.46 115.31 108.65 2dxb h LEU 43 Ca -0.25 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.06 2dxb h LEU 43 Cb 1.09 -0.28 -0.12 0.00 0.09 0.00 0.00 40.66 41.44 2dxb h LEU 43 CO 0.31 1.42 -0.01 0.72 0.09 0.00 0.00 178.44 180.97 2dxb s PHE 44 N -3.78 -0.24 0.45 1.13 -0.12 -1.25 -5.06 117.98 109.12 2dxb s PHE 44 Ca -0.10 -0.06 0.05 0.00 -0.05 0.00 0.00 56.93 56.76 2dxb s PHE 44 Cb 0.09 0.33 0.01 0.00 -0.63 0.00 0.00 43.02 42.82 2dxb s PHE 44 CO 0.90 -0.76 0.63 -1.54 -0.05 0.00 0.00 175.22 174.40 2dxb s SER 45 N -2.81 5.61 0.35 1.98 1.04 -1.26 -4.10 113.70 114.51 2dxb s SER 45 Ca 0.04 -0.16 0.07 0.00 0.48 0.00 0.00 55.95 56.38 2dxb s SER 45 Cb 0.01 -0.94 0.64 0.00 0.10 0.00 0.00 66.02 65.83 2dxb s SER 45 CO -0.11 -0.82 1.84 0.00 0.98 0.00 0.00 173.24 175.14 2dxb h ALA 46 N 0.47 1.35 -0.22 5.32 0.00 -1.98 -2.06 119.26 122.15 2dxb h ALA 46 Ca -0.42 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2dxb h ALA 46 Cb 1.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2dxb h ALA 46 CO 0.50 0.44 0.03 1.49 0.00 0.00 0.00 179.25 181.71 2dxb h GLU 47 N 0.29 0.37 -0.63 0.00 4.81 -1.99 -2.10 114.58 115.32 2dxb h GLU 47 Ca 0.05 -0.10 0.10 0.00 -0.13 0.00 0.00 59.36 59.28 2dxb h GLU 47 Cb 0.50 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.76 2dxb h GLU 47 CO 0.03 0.52 0.23 -0.44 -0.73 0.00 0.00 179.01 178.63 2dxb h ASP 48 N 0.16 0.21 -0.49 1.04 3.32 -1.81 0.21 116.42 119.07 2dxb h ASP 48 Ca 0.07 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2dxb h ASP 48 Cb 0.34 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 2dxb h ASP 48 CO 0.01 0.12 0.23 -0.74 -1.72 0.00 0.00 179.24 177.14 2dxb h HIS 49 N 0.40 0.70 -0.52 4.55 2.76 -1.18 -1.19 115.15 120.68 2dxb h HIS 49 Ca 0.33 -0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.35 2dxb h HIS 49 Cb 0.43 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 2dxb h HIS 49 CO -0.18 0.56 -0.12 0.00 -1.30 0.00 0.00 177.93 176.89 2dxb h ARG 50 N 0.64 0.98 -0.70 5.26 3.08 -0.68 -2.28 114.38 120.68 2dxb h ARG 50 Ca 0.17 -0.36 0.01 0.00 0.07 0.00 0.00 59.98 59.86 2dxb h ARG 50 Cb 0.12 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 2dxb h ARG 50 CO -0.02 1.04 0.46 0.28 -1.07 0.00 0.00 179.97 180.66 2dxb h VAL 51 N 0.87 1.16 -0.37 2.04 2.07 -0.29 -1.03 116.25 120.71 2dxb h VAL 51 Ca 0.13 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2dxb h VAL 51 Cb 0.68 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2dxb h VAL 51 CO 0.05 0.17 -0.05 -0.25 0.02 0.00 0.00 177.57 177.51 2dxb h TRP 52 N 0.94 0.75 -0.81 1.57 2.91 -1.03 -1.49 115.95 118.79 2dxb h TRP 52 Ca 0.26 -0.15 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 2dxb h TRP 52 Cb -0.09 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 28.34 2dxb h TRP 52 CO -0.03 0.80 0.48 0.87 -1.03 0.00 0.00 178.44 179.53 2dxb h LYS 53 N 0.48 1.10 -0.55 2.65 1.57 -1.18 -0.69 116.57 119.95 2dxb h LYS 53 Ca 0.10 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2dxb h LYS 53 Cb 0.53 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2dxb h LYS 53 CO 0.03 0.78 0.15 -0.44 -0.57 0.00 0.00 179.45 179.41 2dxb h ASP 54 N 1.12 0.82 0.27 0.86 3.32 -0.97 -1.01 116.42 120.83 2dxb h ASP 54 Ca 0.29 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2dxb h ASP 54 Cb -0.03 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 2dxb h ASP 54 CO -0.05 0.82 -0.16 0.22 -1.72 0.00 0.00 179.24 178.36 2dxb h TYR 55 N 0.77 -0.40 -1.00 4.55 3.20 -0.56 -2.44 116.97 121.10 2dxb h TYR 55 Ca 0.18 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.17 2dxb h TYR 55 Cb 0.31 0.14 -0.09 0.00 1.54 0.00 0.00 36.73 38.63 2dxb h TYR 55 CO 0.02 -0.25 0.62 0.28 -1.64 0.00 0.00 178.16 177.20 2dxb h VAL 56 N -0.40 0.89 0.00 1.81 2.07 -1.01 -0.57 116.25 119.03 2dxb h VAL 56 Ca -0.03 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2dxb h VAL 56 Cb 0.33 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2dxb h VAL 56 CO 0.03 0.18 -0.04 -0.74 0.02 0.00 0.00 177.57 177.02 2dxb h HIS 57 N 0.96 0.00 0.00 1.57 -0.00 -0.71 -1.79 115.15 115.18 2dxb h HIS 57 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.88 2dxb h HIS 57 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 2dxb h HIS 57 CO -0.01 0.04 -0.37 1.79 -0.00 0.00 0.00 177.93 179.38 2dxb h THR 58 N 0.00 0.00 -3.90 6.26 1.35 -0.80 -3.47 112.91 112.35 2dxb h THR 58 Ca -0.00 -0.62 -0.51 0.00 -0.55 0.00 0.00 66.41 64.73 2dxb h THR 58 Cb 0.08 1.39 0.05 0.00 -1.73 0.00 0.00 68.15 67.94 2dxb h THR 58 CO 0.00 0.00 0.53 -0.76 -0.25 0.00 0.00 175.52 175.05 2dxb s LEU 59 N -4.75 4.31 0.18 3.87 1.43 -0.67 -5.02 118.68 118.03 2dxb s LEU 59 Ca 0.07 2.42 -0.23 0.00 -1.03 0.00 0.00 54.13 55.36 2dxb s LEU 59 Cb 0.11 -3.86 0.07 0.00 0.03 0.00 0.00 46.19 42.55 2dxb s LEU 59 CO 0.68 -0.55 1.02 -0.83 0.23 0.00 0.00 176.35 176.90 2dxb s GLY 60 N -0.92 0.02 0.05 -3.19 0.00 -1.26 -4.73 107.32 97.28 2dxb s GLY 60 Ca 0.53 -0.20 0.27 0.00 0.00 0.00 0.00 44.72 45.32 2dxb s GLY 60 CO 0.43 1.62 1.73 -1.55 0.00 0.00 0.00 173.10 175.33 2dxb n PRO 61 N -0.63 0.07 -0.20 2.90 -0.04 -0.91 -3.54 135.00 132.66 2dxb n PRO 61 Ca -0.04 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2dxb n PRO 61 Cb 0.60 -1.57 0.09 0.00 -0.04 0.00 0.00 33.50 32.58 2dxb n PRO 61 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2dxb h LEU 62 N 0.00 -0.29 -0.81 1.53 6.46 -1.88 -0.44 115.31 119.87 2dxb h LEU 62 Ca 0.00 0.15 0.06 0.00 -0.12 0.00 0.00 57.88 57.97 2dxb h LEU 62 Cb 0.57 0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.71 2dxb h LEU 62 CO 0.00 -0.12 0.50 -0.65 -0.62 0.00 0.00 178.44 177.55 2dxb h PRO 63 N 0.11 0.90 -0.54 5.25 0.11 -1.76 0.17 132.00 136.24 2dxb h PRO 63 Ca 0.31 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.29 2dxb h PRO 63 Cb 0.50 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 2dxb h PRO 63 CO -0.52 0.59 0.05 0.00 -0.21 0.00 0.00 178.00 177.91 2dxb h ALA 64 N 1.38 0.72 -0.65 -0.75 0.00 -1.21 -1.10 119.26 117.66 2dxb h ALA 64 Ca 0.35 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2dxb h ALA 64 Cb 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2dxb h ALA 64 CO -0.16 0.50 0.33 0.00 0.00 0.00 0.00 179.25 179.92 2dxb h ALA 65 N 0.97 0.83 -0.59 0.00 0.00 -0.32 -2.20 119.26 117.96 2dxb h ALA 65 Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2dxb h ALA 65 Cb 0.47 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2dxb h ALA 65 CO 0.02 0.37 0.27 0.00 0.00 0.00 0.00 179.25 179.91 2dxb h ARG 66 N 0.88 0.86 -0.93 0.00 2.47 -0.42 -1.52 114.38 115.73 2dxb h ARG 66 Ca 0.22 -0.14 0.06 0.00 -1.26 0.00 0.00 59.98 58.87 2dxb h ARG 66 Cb 0.08 -0.15 -0.06 0.00 -1.65 0.00 0.00 29.97 28.19 2dxb h ARG 66 CO -0.03 0.71 0.59 1.25 0.56 0.00 0.00 179.97 183.04 2dxb h LEU 67 N 0.80 0.93 -0.33 3.04 6.46 -0.83 0.16 115.31 125.54 2dxb h LEU 67 Ca 0.20 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.87 2dxb h LEU 67 Cb 0.14 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 2dxb h LEU 67 CO -0.02 0.60 -0.20 0.58 -0.62 0.00 0.00 178.44 178.78 2dxb h VAL 68 N 1.07 1.29 -0.53 1.05 2.07 -1.04 -1.29 116.25 118.88 2dxb h VAL 68 Ca 0.40 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 2dxb h VAL 68 Cb 0.16 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2dxb h VAL 68 CO -0.17 0.43 0.31 0.00 0.02 0.00 0.00 177.57 178.16 2dxb h ALA 69 N 0.76 0.67 -0.88 1.67 0.00 -0.57 -0.29 119.26 120.63 2dxb h ALA 69 Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2dxb h ALA 69 Cb 0.74 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2dxb h ALA 69 CO 0.06 0.16 0.49 0.87 0.00 0.00 0.00 179.25 180.83 2dxb h LYS 70 N 0.71 1.22 -0.45 0.00 1.57 -0.60 -2.24 116.57 116.78 2dxb h LYS 70 Ca 0.19 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 2dxb h LYS 70 Cb -0.00 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 2dxb h LYS 70 CO -0.03 0.89 -0.11 0.00 -0.57 0.00 0.00 179.45 179.62 2dxb h ALA 71 N 1.31 0.96 -0.01 3.86 0.00 -0.66 0.11 119.26 124.82 2dxb h ALA 71 Ca 0.31 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2dxb h ALA 71 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2dxb h ALA 71 CO -0.05 0.61 -0.27 -1.49 0.00 0.00 0.00 179.25 178.05 2dxb h TRP 72 N 0.73 0.02 0.00 0.00 6.55 -0.56 -3.09 115.95 119.60 2dxb h TRP 72 Ca 0.12 -0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.94 2dxb h TRP 72 Cb 0.60 -0.01 -0.00 0.00 -0.86 0.00 0.00 29.16 28.90 2dxb h TRP 72 CO 0.03 0.29 -1.46 1.28 -1.05 0.00 0.00 178.44 177.53 2dxb n LEU 73 N -4.22 0.49 -3.85 -4.49 4.77 -0.89 -4.82 117.00 103.99 2dxb n LEU 73 Ca -0.02 0.19 -0.30 0.00 -0.03 0.00 0.00 56.01 55.85 2dxb n LEU 73 Cb 0.32 -0.02 -0.15 0.00 -2.33 0.00 0.00 43.42 41.24 2dxb n LEU 73 CO 0.38 -0.08 -0.35 -0.62 -1.33 0.00 0.00 177.39 175.39 2dxb s ASP 74 N -5.05 4.17 0.30 -1.43 -1.08 0.33 -5.00 116.67 108.90 2dxb s ASP 74 Ca -0.04 -1.68 0.05 0.00 -0.52 0.00 0.00 52.55 50.36 2dxb s ASP 74 Cb 0.11 -1.13 0.71 0.00 -1.46 0.00 0.00 42.92 41.15 2dxb s ASP 74 CO 0.84 -0.37 1.78 -0.65 0.52 0.00 0.00 175.17 177.29 2dxb h PRO 75 N 7.93 0.75 -0.49 4.34 0.11 -1.87 -0.53 132.00 142.25 2dxb h PRO 75 Ca -0.12 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.86 2dxb h PRO 75 Cb 1.03 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 2dxb h PRO 75 CO 0.47 0.50 -0.03 0.93 -0.21 0.00 0.00 178.00 179.66 2dxb h GLU 76 N 0.77 0.88 -0.30 1.05 4.39 -1.94 -1.97 114.58 117.46 2dxb h GLU 76 Ca 0.56 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.87 2dxb h GLU 76 Cb 0.84 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2dxb h GLU 76 CO -0.37 0.93 -0.23 -0.92 -1.16 0.00 0.00 179.01 177.26 2dxb h TYR 77 N 0.74 0.63 -0.58 4.33 3.20 -1.64 -2.12 116.97 121.54 2dxb h TYR 77 Ca 0.14 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2dxb h TYR 77 Cb 0.55 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 2dxb h TYR 77 CO 0.04 0.75 0.32 -0.22 -1.64 0.00 0.00 178.16 177.41 2dxb h LYS 78 N 0.50 0.81 -0.99 1.82 3.64 -0.89 0.15 116.57 121.60 2dxb h LYS 78 Ca 0.08 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2dxb h LYS 78 Cb 0.66 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 2dxb h LYS 78 CO 0.05 0.62 0.66 0.87 -2.27 0.00 0.00 179.45 179.37 2dxb h LYS 79 N 0.78 1.28 -0.42 1.90 1.57 -0.99 -1.06 116.57 119.62 2dxb h LYS 79 Ca 0.20 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2dxb h LYS 79 Cb 0.04 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 2dxb h LYS 79 CO -0.03 0.84 0.15 1.25 -0.57 0.00 0.00 179.45 181.09 2dxb h LEU 80 N 1.32 0.60 -0.31 2.94 5.85 -0.66 -1.44 115.31 123.61 2dxb h LEU 80 Ca 0.38 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.93 2dxb h LEU 80 Cb -0.10 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 2dxb h LEU 80 CO -0.10 0.63 0.14 0.00 -0.34 0.00 0.00 178.44 178.77 2dxb h ILE 82 N 0.30 1.21 0.03 0.00 2.04 -1.02 -3.11 117.51 116.95 2dxb h ILE 82 Ca 0.13 -0.82 -0.32 0.00 1.00 0.00 0.00 64.86 64.85 2dxb h ILE 82 Cb 0.06 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2dxb h ILE 82 CO -0.10 0.29 -1.87 1.21 0.00 0.00 0.00 178.15 177.68 2dxb n GLU 83 N -4.27 0.67 -3.18 2.37 4.07 -0.56 -4.77 120.64 114.97 2dxb n GLU 83 Ca 0.03 0.25 -0.16 0.00 -0.06 0.00 0.00 57.16 57.22 2dxb n GLU 83 Cb 0.24 -1.74 -0.06 0.00 -0.06 0.00 0.00 31.44 29.83 2dxb n GLU 83 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2dxb s ASP 84 N -6.26 0.35 0.43 4.31 -1.08 0.15 -5.01 116.67 109.56 2dxb s ASP 84 Ca -0.10 -2.20 0.13 0.00 -0.52 0.00 0.00 52.55 49.86 2dxb s ASP 84 Cb 0.07 0.63 1.01 0.00 -1.46 0.00 0.00 42.92 43.18 2dxb s ASP 84 CO 0.81 -0.15 1.99 1.23 0.52 0.00 0.00 175.17 179.56 2dxb h GLY 85 N 5.84 0.58 0.92 2.66 0.00 -1.53 -1.88 103.07 109.65 2dxb h GLY 85 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2dxb h GLY 85 CO 0.20 0.11 0.04 -2.08 0.00 0.00 0.00 176.54 174.81 2dxb h VAL 86 N 0.42 1.09 -0.50 4.60 2.07 -1.90 0.39 116.25 122.43 2dxb h VAL 86 Ca 0.27 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2dxb h VAL 86 Cb 0.49 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2dxb h VAL 86 CO -0.07 0.08 0.10 -0.08 0.02 0.00 0.00 177.57 177.62 2dxb h GLU 87 N 0.02 0.82 -0.38 1.57 4.57 -1.81 -2.92 114.58 116.45 2dxb h GLU 87 Ca 0.03 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 57.94 2dxb h GLU 87 Cb 0.09 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 2dxb h GLU 87 CO -0.00 0.80 -0.02 0.00 -1.18 0.00 0.00 179.01 178.61 2dxb h ALA 88 N 0.98 1.27 -0.12 2.92 0.00 -1.22 -2.63 119.26 120.46 2dxb h ALA 88 Ca 0.15 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2dxb h ALA 88 Cb 0.36 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2dxb h ALA 88 CO 0.01 0.49 0.09 1.03 0.00 0.00 0.00 179.25 180.86 2dxb h SER 89 N 0.57 0.00 -0.47 0.00 0.87 -0.71 -1.70 113.55 112.11 2dxb h SER 89 Ca 0.12 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 2dxb h SER 89 Cb 0.39 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 2dxb h SER 89 CO 0.02 0.00 0.31 0.11 -0.53 0.00 0.00 176.83 176.74 2dxb h LYS 90 N 0.00 0.49 0.00 2.24 1.57 -1.44 -1.74 116.57 117.69 2dxb h LYS 90 Ca 0.06 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2dxb h LYS 90 Cb 0.23 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2dxb h LYS 90 CO -0.00 0.32 -0.02 0.00 -0.57 0.00 0.00 179.45 179.18 2dxb h ALA 91 N 1.73 1.42 -0.54 3.86 0.00 -1.45 -1.03 119.26 123.24 2dxb h ALA 91 Ca 0.19 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 2dxb h ALA 91 Cb 0.13 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 2dxb h ALA 91 CO -0.05 0.02 0.14 1.33 0.00 0.00 0.00 179.25 180.70 2dxb n VAL 92 N -3.71 2.70 -0.97 0.00 0.24 -0.68 -4.94 118.33 110.96 2dxb n VAL 92 Ca -0.03 -1.94 0.00 0.00 -2.04 0.00 0.00 64.34 60.33 2dxb n VAL 92 Cb 0.10 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 -0.49 0.44 3.18 7.63 0.00 -0.39 -4.88 105.19 110.69 2dxb n GLY 93 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.03 3.46 -0.44 1.61 1.01 -1.04 -5.00 120.40 117.97 2dxb s VAL 94 Ca 0.00 -1.63 -0.17 0.00 0.00 0.00 0.00 61.98 60.19 2dxb s VAL 94 Cb 0.00 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.25 2dxb s VAL 94 CO 0.00 -0.43 0.42 0.21 0.00 0.00 0.00 175.10 175.30 2dxb s ASN 95 N 1.68 6.17 0.61 3.32 3.84 -1.26 -3.26 114.94 126.03 2dxb s ASN 95 Ca 0.02 -0.91 0.30 0.00 0.21 0.00 0.00 52.86 52.48 2dxb s ASN 95 Cb -0.22 -2.21 1.65 0.00 -0.55 0.00 0.00 41.25 39.93 2dxb s ASN 95 CO -0.01 -0.60 2.03 -0.50 -2.79 0.00 0.00 177.10 175.23 2dxb h TRP 96 N 8.75 0.00 0.00 0.43 4.06 -1.94 0.16 115.95 127.40 2dxb h TRP 96 Ca -0.27 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.43 2dxb h TRP 96 Cb 1.11 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.23 2dxb h TRP 96 CO 0.62 0.00 -1.34 0.28 -3.56 0.00 0.00 178.44 174.44 2dxb n VAL 97 N -3.58 1.53 0.18 1.49 0.31 -1.26 -3.64 118.33 113.36 2dxb n VAL 97 Ca 0.03 -0.05 0.11 0.00 -0.01 0.00 0.00 64.34 64.42 2dxb n VAL 97 Cb 0.41 -2.04 -0.05 0.00 -0.91 0.00 0.00 33.84 31.25 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 -4.42 0.32 -0.09 2.52 -2.24 -1.11 -1.51 114.28 107.75 2dxb n THR 98 Ca -0.33 -0.46 -0.06 0.00 -2.27 0.00 0.00 64.05 60.93 2dxb n THR 98 Cb 0.69 -0.10 0.14 0.00 -2.10 0.00 0.00 70.33 68.95 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 0.75 -4.20 3.42 0.02 -0.95 -3.43 113.55 109.17 2dxb h SER 99 Ca 0.00 -0.22 -0.50 0.00 -0.84 0.00 0.00 61.79 60.23 2dxb h SER 99 Cb 0.94 -0.20 0.08 0.00 0.14 0.00 0.00 62.40 63.36 2dxb h SER 99 CO 0.00 0.88 0.38 -2.84 -1.14 0.00 0.00 176.83 174.11 2dxb s PRO 100 N -4.81 3.07 0.56 3.45 0.02 -1.26 -4.93 135.00 131.10 2dxb s PRO 100 Ca -0.09 1.30 0.26 0.00 0.02 0.00 0.00 61.00 62.49 2dxb s PRO 100 Cb 0.14 -1.99 1.49 0.00 0.02 0.00 0.00 34.50 34.16 2dxb s PRO 100 CO 0.82 -1.02 2.03 -1.35 -0.33 0.00 0.00 177.00 177.14 2dxb h PRO 101 N 0.24 0.00 0.00 5.54 0.11 -1.93 -2.12 132.00 133.83 2dxb h PRO 101 Ca -0.47 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 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 0.56 0.00 -0.49 1.79 -0.21 0.00 0.00 178.00 179.65 2dxb h THR 102 N 0.00 1.18 -1.09 -1.15 1.35 -1.91 -3.47 112.91 107.82 2dxb h THR 102 Ca 0.17 -1.78 -0.27 0.00 -0.55 0.00 0.00 66.41 63.97 2dxb h THR 102 Cb 0.79 2.01 -0.08 0.00 -1.73 0.00 0.00 68.15 69.14 2dxb h THR 102 CO -0.00 0.48 -0.28 1.67 -0.25 0.00 0.00 175.52 177.13 2dxb n GLN 103 N -3.70 -0.99 -0.92 4.72 7.27 -0.80 -4.79 117.38 118.16 2dxb n GLN 103 Ca -0.01 0.87 0.00 0.00 0.07 0.00 0.00 57.00 57.93 2dxb n GLN 103 Cb 0.55 -5.00 -0.00 0.00 2.41 0.00 0.00 30.24 28.19 2dxb n GLN 103 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 2dxb n PHE 104 N -3.09 0.00 0.00 3.69 1.16 -0.86 -4.65 117.46 113.71 2dxb n PHE 104 Ca -0.14 -0.25 0.00 0.00 -1.87 0.00 0.00 57.45 55.18 2dxb n PHE 104 Cb 0.51 0.05 0.00 0.00 -1.61 0.00 0.00 39.48 38.43 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 0.17 -1.62 3.75 4.97 0.00 -0.57 -4.87 105.19 107.02 2dxb n GLY 105 Ca -0.03 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.13 2.64 0.30 2.61 -4.23 -1.26 -4.71 115.64 107.85 2dxb s THR 106 Ca 0.00 0.40 -0.01 0.00 -1.18 0.00 0.00 61.69 60.90 2dxb s THR 106 Cb 0.00 -3.15 0.21 0.00 1.34 0.00 0.00 72.50 70.89 2dxb s THR 106 CO 0.00 -0.09 1.90 -0.65 -0.54 0.00 0.00 174.62 175.24 2dxb h PRO 107 N 0.88 0.93 0.00 3.99 0.11 -1.95 -2.68 132.00 133.27 2dxb h PRO 107 Ca -0.50 -0.12 -0.09 0.00 0.11 0.00 0.00 66.00 65.40 2dxb h PRO 107 Cb 1.30 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2dxb h PRO 107 CO 0.55 0.71 -1.18 0.77 -0.21 0.00 0.00 178.00 178.65 2dxb h SER 108 N 0.92 0.00 0.19 -2.05 0.02 -2.01 -3.38 113.55 107.25 2dxb h SER 108 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2dxb h SER 108 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2dxb h SER 108 CO -0.03 0.31 -1.75 0.47 -1.14 0.00 0.00 176.83 174.69 2dxb n ASP 109 N -2.81 0.21 -0.58 3.07 8.00 -1.22 -4.95 116.55 118.27 2dxb n ASP 109 Ca -0.05 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.46 2dxb n ASP 109 Cb 0.70 1.64 0.00 0.00 -0.02 0.00 0.00 41.12 43.44 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 -2.29 -1.55 -2.54 1.24 4.01 -1.01 -4.60 117.16 110.42 2dxb n TYR 110 Ca -0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.53 2dxb n TYR 110 Cb 0.55 0.24 0.02 0.00 -0.31 0.00 0.00 39.34 39.84 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 -0.34 0.56 -4.74 0.00 5.15 -1.26 -4.94 115.26 109.69 2dxb n ASN 112 Ca 0.26 -2.75 -0.41 0.00 -0.60 0.00 0.00 54.58 51.08 2dxb n ASN 112 Cb 0.75 -0.64 -0.05 0.00 -0.53 0.00 0.00 39.78 39.32 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 -1.21 4.53 -0.03 1.20 2.96 -1.26 -2.47 118.68 122.40 2dxb s LEU 113 Ca 0.35 1.98 0.05 0.00 -0.22 0.00 0.00 54.13 56.29 2dxb s LEU 113 Cb 0.15 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 2dxb s LEU 113 CO -0.11 -0.09 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.53 2dxb s ARG 114 N -0.50 1.62 -0.21 1.98 0.52 -0.09 -3.18 118.95 119.08 2dxb s ARG 114 Ca 0.46 -0.62 -0.07 0.00 -0.52 0.00 0.00 55.73 54.98 2dxb s ARG 114 Cb -0.27 -1.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.69 2dxb s ARG 114 CO 0.33 0.31 0.07 0.08 0.02 0.00 0.00 175.30 176.11 2dxb s VAL 115 N -0.19 4.56 -0.36 3.52 1.01 -1.25 -2.79 120.40 124.90 2dxb s VAL 115 Ca 0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 2dxb s VAL 115 Cb -0.09 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 2dxb s VAL 115 CO 0.01 0.40 0.39 -0.76 0.00 0.00 0.00 175.10 175.14 2dxb s LEU 116 N 0.96 4.53 -0.42 3.92 1.43 -0.37 -4.54 118.68 124.20 2dxb s LEU 116 Ca 0.04 -0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 52.60 2dxb s LEU 116 Cb -0.14 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.73 2dxb s LEU 116 CO 0.03 -0.41 0.72 0.00 0.23 0.00 0.00 176.35 176.91 2dxb s ALA 117 N 2.08 3.36 0.88 4.21 0.00 -1.26 0.04 121.76 131.06 2dxb s ALA 117 Ca 0.12 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 2dxb s ALA 117 Cb -0.17 -3.35 0.12 0.00 0.00 0.00 0.00 23.12 19.72 2dxb s ALA 117 CO 0.12 -1.71 1.09 -0.51 0.00 0.00 0.00 175.76 174.76 2dxb s ASP 118 N 1.99 3.56 0.32 0.00 1.01 0.04 -4.92 116.67 118.67 2dxb s ASP 118 Ca 0.27 1.65 -0.08 0.00 0.71 0.00 0.00 52.55 55.10 2dxb s ASP 118 Cb -0.13 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.50 2dxb s ASP 118 CO 0.19 -2.61 0.54 -0.94 0.21 0.00 0.00 175.17 172.56 2dxb s SER 119 N -3.29 0.45 0.59 0.27 1.04 0.95 -4.56 113.70 109.14 2dxb s SER 119 Ca 0.63 -1.26 0.39 0.00 0.48 0.00 0.00 55.95 56.19 2dxb s SER 119 Cb -0.19 0.68 2.12 0.00 0.10 0.00 0.00 66.02 68.73 2dxb s SER 119 CO 0.57 -1.33 2.19 -0.65 0.98 0.00 0.00 173.24 175.00 2dxb h PRO 120 N 2.13 0.00 0.00 4.02 0.11 -2.03 -2.17 132.00 134.06 2dxb h PRO 120 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2dxb h PRO 120 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2dxb h PRO 120 CO 0.38 0.00 -0.01 0.25 -0.21 0.00 0.00 178.00 178.41 2dxb n THR 121 N -2.88 1.31 -3.69 -1.15 -2.24 -1.26 -4.89 114.28 99.48 2dxb n THR 121 Ca -0.03 -1.47 -0.10 0.00 -2.27 0.00 0.00 64.05 60.19 2dxb n THR 121 Cb 0.08 0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.72 -0.15 -0.05 3.22 2.96 -0.82 -1.60 118.68 120.53 2dxb s LEU 122 Ca 0.13 0.91 -0.00 0.00 -0.22 0.00 0.00 54.13 54.95 2dxb s LEU 122 Cb 0.11 1.36 0.03 0.00 0.50 0.00 0.00 46.19 48.19 2dxb s LEU 122 CO 0.01 -0.20 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.09 2dxb s LYS 123 N 1.51 0.49 0.15 1.98 2.36 -0.51 -0.04 119.74 125.68 2dxb s LYS 123 Ca -0.09 0.06 0.03 0.00 -2.55 0.00 0.00 55.97 53.43 2dxb s LYS 123 Cb -0.09 -0.72 -0.04 0.00 -1.05 0.00 0.00 37.83 35.94 2dxb s LYS 123 CO -0.13 -0.18 0.22 -1.01 1.55 0.00 0.00 175.35 175.80 2dxb s HIS 124 N 1.36 3.35 -0.10 4.03 3.76 -1.26 -0.85 115.29 125.58 2dxb s HIS 124 Ca -0.05 0.07 -0.07 0.00 -0.15 0.00 0.00 55.06 54.86 2dxb s HIS 124 Cb -0.13 -1.61 0.03 0.00 1.11 0.00 0.00 32.58 31.98 2dxb s HIS 124 CO -0.02 0.52 0.25 0.54 -0.85 0.00 0.00 174.74 175.18 2dxb s VAL 125 N -1.72 -0.02 0.12 -0.90 0.11 -0.97 -4.48 120.40 112.55 2dxb s VAL 125 Ca 0.33 0.06 0.05 0.00 -2.93 0.00 0.00 61.98 59.49 2dxb s VAL 125 Cb -0.11 -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 0.02 -0.69 -3.33 0.00 0.00 175.10 171.38 2dxb s VAL 126 N 0.61 4.00 0.19 2.04 1.01 -0.06 -1.40 120.40 126.79 2dxb s VAL 126 Ca -0.04 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.61 2dxb s VAL 126 Cb -0.05 -2.95 0.06 0.00 0.00 0.00 0.00 36.38 33.43 2dxb s VAL 126 CO -0.03 0.04 0.63 0.54 0.00 0.00 0.00 175.10 176.27 2dxb s VAL 127 N -1.47 0.00 -0.41 2.92 0.11 -0.63 -4.94 120.40 115.99 2dxb s VAL 127 Ca 0.27 -0.26 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 2dxb s VAL 127 Cb -0.11 -1.25 0.13 0.00 -1.53 0.00 0.00 36.38 33.61 2dxb s VAL 127 CO 0.19 -0.00 0.20 0.00 -3.33 0.00 0.00 175.10 172.16 2dxb h THR 129 N 5.57 0.64 0.09 0.00 1.35 -1.86 -3.35 112.91 115.34 2dxb h THR 129 Ca -0.04 -0.44 -0.26 0.00 -0.55 0.00 0.00 66.41 65.12 2dxb h THR 129 Cb 0.95 1.28 0.01 0.00 -1.73 0.00 0.00 68.15 68.65 2dxb h THR 129 CO 0.48 0.10 -1.14 -0.07 -0.25 0.00 0.00 175.52 174.65 2dxb h LEU 130 N 0.00 0.53 -9.75 3.87 3.38 -1.91 -3.47 115.31 107.97 2dxb h LEU 130 Ca -0.00 -0.50 -0.54 0.00 0.09 0.00 0.00 57.88 56.93 2dxb h LEU 130 Cb 0.27 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2dxb h LEU 130 CO 0.01 1.35 -0.57 -0.94 0.09 0.00 0.00 178.44 178.38 2dxb s SER 132 N -7.18 4.88 0.00 -0.43 1.04 -1.26 -5.21 113.70 105.55 2dxb s SER 132 Ca -0.05 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2dxb s SER 132 Cb 0.07 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.23 2dxb s SER 132 CO 0.89 -0.12 0.00 0.00 0.98 0.00 0.00 173.24 174.99 2dxb n TYR 134 N -1.07 0.00 -1.15 5.02 9.36 -1.26 -4.94 117.16 123.12 2dxb n TYR 134 Ca -0.05 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.83 2dxb n TYR 134 Cb 0.59 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.28 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 -1.01 2.94 -0.21 2.98 -0.04 -1.26 -4.78 135.00 133.62 2dxb n PRO 135 Ca 0.00 -1.97 -0.03 0.00 -0.04 0.00 0.00 63.50 61.47 2dxb n PRO 135 Cb 0.00 -2.74 0.04 0.00 -0.04 0.00 0.00 33.50 30.76 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 5.72 -0.08 -1.12 0.54 3.08 -1.94 -0.26 114.38 120.32 2dxb h ARG 136 Ca 0.69 0.01 0.35 0.00 0.07 0.00 0.00 59.98 61.09 2dxb h ARG 136 Cb 0.30 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 30.24 2dxb h ARG 136 CO 1.69 -0.06 0.69 -1.35 -1.07 0.00 0.00 179.97 179.88 2dxb h PRO 137 N -0.09 0.25 0.00 0.04 0.11 -1.86 0.29 132.00 130.74 2dxb h PRO 137 Ca 0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.37 2dxb h PRO 137 Cb 0.52 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2dxb h PRO 137 CO -0.68 0.17 -0.72 1.51 -0.21 0.00 0.00 178.00 178.07 2dxb n ILE 138 N -4.82 0.00 -0.01 4.15 3.06 -0.92 -4.73 119.36 116.09 2dxb n ILE 138 Ca 0.32 -0.26 0.00 0.00 -2.50 0.00 0.00 62.75 60.31 2dxb n ILE 138 Cb 1.11 0.82 -0.02 0.00 0.54 0.00 0.00 39.64 42.08 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 -1.39 0.00 0.00 9.51 -0.00 -0.15 -3.05 117.00 121.92 2dxb n LEU 139 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 2dxb n LEU 139 Cb 0.18 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 2dxb n LEU 139 CO 0.21 0.04 0.00 0.61 -0.00 0.00 0.00 177.39 178.24 2dxb n GLY 140 N 2.57 -1.10 3.80 -3.96 0.00 0.96 -2.14 105.19 105.33 2dxb n GLY 140 Ca -0.03 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 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 4.37 0.46 1.61 2.00 -1.26 -3.89 119.66 122.94 2dxb s GLN 141 Ca 0.00 1.18 -0.22 0.00 -2.00 0.00 0.00 55.36 54.32 2dxb s GLN 141 Cb 0.00 -2.46 -0.08 0.00 0.80 0.00 0.00 33.01 31.27 2dxb s GLN 141 CO 0.00 0.11 1.08 -1.54 -0.50 0.00 0.00 175.29 174.44 2dxb s SER 142 N -1.94 6.36 0.53 6.67 1.04 -1.26 -5.02 113.70 120.08 2dxb s SER 142 Ca 0.56 2.08 -0.21 0.00 0.48 0.00 0.00 55.95 58.86 2dxb s SER 142 Cb -0.13 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.35 2dxb s SER 142 CO 0.18 -0.78 1.20 -2.84 0.98 0.00 0.00 173.24 171.98 2dxb s PRO 143 N -2.89 3.33 0.23 4.02 0.02 -1.26 -4.93 135.00 133.52 2dxb s PRO 143 Ca 0.64 1.84 -0.07 0.00 0.02 0.00 0.00 61.00 63.43 2dxb s PRO 143 Cb -0.22 -2.15 0.32 0.00 0.02 0.00 0.00 34.50 32.46 2dxb s PRO 143 CO 0.26 -0.92 1.82 1.49 -0.33 0.00 0.00 177.00 179.32 2dxb h GLU 144 N 1.42 0.76 0.00 5.54 4.57 -2.00 -1.62 114.58 123.25 2dxb h GLU 144 Ca -0.50 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 57.58 2dxb h GLU 144 Cb 1.27 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 2dxb h GLU 144 CO 0.57 0.50 -0.25 0.11 -1.18 0.00 0.00 179.01 178.77 2dxb h TRP 145 N 0.78 0.00 0.00 0.92 5.08 -1.98 -2.33 115.95 118.42 2dxb h TRP 145 Ca 0.35 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.28 2dxb h TRP 145 Cb 0.25 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.40 2dxb h TRP 145 CO -0.06 0.25 -0.19 -0.92 -1.28 0.00 0.00 178.44 176.23 2dxb h TYR 146 N 0.00 0.00 -0.00 0.12 3.20 -1.66 -2.47 116.97 116.16 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 0.53 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2dxb h TYR 146 CO 0.00 0.19 -0.40 0.54 -1.64 0.00 0.00 178.16 176.85 2dxb n ARG 147 N -4.14 0.13 -2.24 1.82 1.74 -0.88 -4.70 116.66 108.39 2dxb n ARG 147 Ca -0.02 -0.07 -0.40 0.00 -0.77 0.00 0.00 57.85 56.59 2dxb n ARG 147 Cb 0.26 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 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 -2.92 6.75 0.50 0.55 1.04 -0.93 -4.91 113.70 113.78 2dxb s SER 148 Ca 0.14 2.49 0.17 0.00 0.48 0.00 0.00 55.95 59.23 2dxb s SER 148 Cb 0.18 -2.63 1.22 0.00 0.10 0.00 0.00 66.02 64.88 2dxb s SER 148 CO 0.65 -0.53 2.06 -0.65 0.98 0.00 0.00 173.24 175.76 2dxb h PRO 149 N 3.17 0.13 0.31 4.02 0.11 -1.92 -2.03 132.00 135.79 2dxb h PRO 149 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2dxb h PRO 149 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2dxb h PRO 149 CO 0.65 0.09 -0.15 -0.97 -0.21 0.00 0.00 178.00 177.41 2dxb h ASN 150 N 0.14 -0.35 -0.42 -2.05 -0.73 -1.92 0.23 115.58 110.49 2dxb h ASN 150 Ca 0.14 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 2dxb h ASN 150 Cb 0.39 0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.05 2dxb h ASN 150 CO -0.02 -0.25 0.15 0.22 -0.37 0.00 0.00 177.43 177.17 2dxb h TYR 151 N -0.41 0.65 0.00 0.67 3.20 -1.70 -1.45 116.97 117.92 2dxb h TYR 151 Ca -0.04 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 2dxb h TYR 151 Cb 0.31 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 2dxb h TYR 151 CO -0.06 0.58 -0.14 0.00 -1.64 0.00 0.00 178.16 176.90 2dxb h ARG 152 N 0.53 0.00 0.10 1.82 3.08 -1.22 -2.31 114.38 116.38 2dxb h ARG 152 Ca 0.14 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.97 2dxb h ARG 152 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2dxb h ARG 152 CO -0.01 0.14 -1.05 0.00 -1.07 0.00 0.00 179.97 177.98 2dxb h ARG 153 N 0.00 0.22 0.18 0.04 3.08 -0.20 -3.43 114.38 114.27 2dxb h ARG 153 Ca -0.00 -0.37 -0.32 0.00 0.07 0.00 0.00 59.98 59.35 2dxb h ARG 153 Cb 0.30 0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.50 2dxb h ARG 153 CO 0.02 1.18 -1.57 0.00 -1.07 0.00 0.00 179.97 178.52 2dxb h ARG 154 N -0.46 0.38 -0.66 0.04 3.08 -1.20 -3.41 114.38 112.15 2dxb h ARG 154 Ca -0.22 -0.65 0.13 0.00 0.07 0.00 0.00 59.98 59.31 2dxb h ARG 154 Cb 1.61 0.24 -0.10 0.00 0.08 0.00 0.00 29.97 31.80 2dxb h ARG 154 CO 0.06 1.31 0.14 1.25 -1.07 0.00 0.00 179.97 181.66 2dxb h LEU 155 N -0.01 -0.02 -1.64 3.04 5.85 -1.65 0.32 115.31 121.20 2dxb h LEU 155 Ca -0.31 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 2dxb h LEU 155 Cb 2.00 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 43.21 2dxb h LEU 155 CO 0.16 -0.02 -0.19 -0.37 -0.34 0.00 0.00 178.44 177.69 2dxb h VAL 156 N 0.25 0.74 0.00 1.05 -1.51 -1.82 -2.48 116.25 112.49 2dxb h VAL 156 Ca 0.36 -0.78 -0.37 0.00 -1.23 0.00 0.00 66.70 64.68 2dxb h VAL 156 Cb 0.57 1.48 -0.07 0.00 -2.13 0.00 0.00 31.29 31.14 2dxb h VAL 156 CO -0.46 0.19 -2.40 -1.14 -1.23 0.00 0.00 177.57 172.53 2dxb n ARG 157 N -3.73 0.69 -2.81 5.19 0.63 -0.71 -4.67 116.66 111.24 2dxb n ARG 157 Ca -0.02 0.09 -0.22 0.00 -0.92 0.00 0.00 57.85 56.78 2dxb n ARG 157 Cb 0.30 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 31.69 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 -3.04 2.65 -0.24 -0.14 8.01 0.10 -4.94 117.44 119.85 2dxb n TRP 158 Ca -0.40 -3.52 0.03 0.00 -1.31 0.00 0.00 57.50 52.30 2dxb n TRP 158 Cb 1.04 -0.34 0.15 0.00 -2.01 0.00 0.00 31.31 30.15 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 2.87 0.45 -0.82 -0.99 0.13 -1.60 -1.24 132.00 130.80 2dxb h PRO 159 Ca 0.14 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 2dxb h PRO 159 Cb 0.82 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.81 2dxb h PRO 159 CO 0.71 0.30 0.46 0.00 -0.23 0.00 0.00 178.00 179.24 2dxb h ARG 160 N 0.46 1.14 -0.14 0.86 2.47 -1.92 0.81 114.38 118.06 2dxb h ARG 160 Ca 0.36 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.94 2dxb h ARG 160 Cb 0.49 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 2dxb h ARG 160 CO -0.35 0.83 0.01 1.96 0.56 0.00 0.00 179.97 182.98 2dxb h GLN 161 N 1.14 0.25 -0.34 0.04 7.50 -1.78 -0.34 115.11 121.57 2dxb h GLN 161 Ca 0.29 -0.07 -0.02 0.00 0.50 0.00 0.00 58.65 59.35 2dxb h GLN 161 Cb 0.02 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.51 2dxb h GLN 161 CO -0.05 0.46 0.14 0.28 -1.50 0.00 0.00 178.83 178.16 2dxb h VAL 162 N -0.00 1.18 -0.77 -0.54 2.07 -1.06 -2.15 116.25 114.97 2dxb h VAL 162 Ca 0.04 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2dxb h VAL 162 Cb 0.35 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2dxb h VAL 162 CO 0.01 0.20 0.40 -0.07 0.02 0.00 0.00 177.57 178.12 2dxb h LEU 163 N 0.41 0.99 -1.22 2.57 3.38 -0.82 -1.78 115.31 118.85 2dxb h LEU 163 Ca 0.12 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2dxb h LEU 163 Cb 0.18 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2dxb h LEU 163 CO -0.01 0.82 0.56 0.00 0.09 0.00 0.00 178.44 179.90 2dxb h ALA 164 N 1.21 1.59 -0.36 1.53 0.00 -0.71 1.00 119.26 123.51 2dxb h ALA 164 Ca 0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2dxb h ALA 164 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2dxb h ALA 164 CO -0.04 0.27 0.07 0.93 0.00 0.00 0.00 179.25 180.48 2dxb h GLU 165 N 0.93 0.54 -0.00 0.00 5.08 -0.67 0.87 114.58 121.32 2dxb h GLU 165 Ca 0.38 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2dxb h GLU 165 Cb 0.26 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2dxb h GLU 165 CO -0.14 0.51 -0.01 1.19 -1.00 0.00 0.00 179.01 179.57 2dxb n PHE 166 N -4.32 0.00 -0.53 4.33 3.01 0.14 -4.88 117.46 115.20 2dxb n PHE 166 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2dxb n PHE 166 Cb 0.20 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 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 1.12 0.69 3.34 1.37 0.00 0.30 -4.96 105.19 107.04 2dxb n GLY 167 Ca 0.20 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 2.64 -0.00 0.99 2.96 -0.05 -4.96 118.68 120.26 2dxb s LEU 168 Ca 0.00 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 2dxb s LEU 168 Cb 0.00 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 2dxb s LEU 168 CO 0.00 0.14 -0.06 -1.58 -1.32 0.00 0.00 176.35 173.53 2dxb s GLN 169 N 0.49 0.49 0.11 1.98 0.74 -1.26 -2.43 119.66 119.77 2dxb s GLN 169 Ca -0.10 -0.23 0.06 0.00 0.05 0.00 0.00 55.36 55.15 2dxb s GLN 169 Cb -0.16 -0.46 -0.03 0.00 1.10 0.00 0.00 33.01 33.45 2dxb s GLN 169 CO 0.04 0.13 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.24 2dxb s LEU 170 N -0.19 2.35 0.36 3.68 1.02 -1.26 -5.11 118.68 119.52 2dxb s LEU 170 Ca 0.02 -0.73 -0.26 0.00 0.02 0.00 0.00 54.13 53.18 2dxb s LEU 170 Cb -0.03 -0.64 -0.12 0.00 0.02 0.00 0.00 46.19 45.42 2dxb s LEU 170 CO -0.00 -0.07 0.96 -2.65 0.02 0.00 0.00 176.35 174.61 2dxb n PRO 171 N 0.85 1.27 0.16 1.29 -0.02 -1.26 -4.84 135.00 132.46 2dxb n PRO 171 Ca -0.18 0.45 0.13 0.00 -2.02 0.00 0.00 63.50 61.88 2dxb n PRO 171 Cb 0.55 -1.89 0.67 0.00 -0.02 0.00 0.00 33.50 32.82 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 1.67 0.00 1.43 2.55 4.64 -2.04 -1.17 113.55 120.63 2dxb h SER 172 Ca -0.42 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2dxb h SER 172 Cb 1.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2dxb h SER 172 CO 0.58 0.00 -0.07 1.05 -0.87 0.00 0.00 176.83 177.52 2dxb h GLU 173 N 0.00 0.00 -6.60 4.77 9.09 -2.01 -3.44 114.58 116.39 2dxb h GLU 173 Ca 0.09 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.98 2dxb h GLU 173 Cb 0.39 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.51 2dxb h GLU 173 CO -0.00 0.07 0.69 0.08 0.05 0.00 0.00 179.01 179.90 2dxb s VAL 174 N -3.43 3.30 -0.48 -1.06 1.01 -0.44 -4.95 120.40 114.34 2dxb s VAL 174 Ca 0.04 0.98 -0.29 0.00 0.00 0.00 0.00 61.98 62.71 2dxb s VAL 174 Cb 0.07 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2dxb s VAL 174 CO 0.62 0.11 1.31 -1.58 0.00 0.00 0.00 175.10 175.56 2dxb s GLN 175 N 0.57 3.55 -0.16 2.72 0.74 -0.63 -4.92 119.66 121.54 2dxb s GLN 175 Ca 0.61 0.65 -0.21 0.00 0.05 0.00 0.00 55.36 56.46 2dxb s GLN 175 Cb -0.36 -4.01 -0.03 0.00 1.10 0.00 0.00 33.01 29.70 2dxb s GLN 175 CO 0.34 -1.61 0.62 0.42 -0.55 0.00 0.00 175.29 174.50 2dxb s ILE 176 N 5.25 5.06 -0.19 -2.34 1.01 -1.26 -1.43 121.20 127.30 2dxb s ILE 176 Ca 0.54 1.20 -0.00 0.00 0.00 0.00 0.00 60.65 62.38 2dxb s ILE 176 Cb -0.10 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.43 2dxb s ILE 176 CO 0.30 0.18 -0.16 -0.60 0.00 0.00 0.00 174.94 174.66 2dxb s ARG 177 N 1.46 3.11 -0.08 2.79 3.52 -0.03 -4.95 118.95 124.77 2dxb s ARG 177 Ca 0.30 -0.77 -0.19 0.00 -0.13 0.00 0.00 55.73 54.94 2dxb s ARG 177 Cb -0.16 -2.68 -0.05 0.00 -1.56 0.00 0.00 34.95 30.50 2dxb s ARG 177 CO 0.12 -0.18 0.51 0.08 -0.81 0.00 0.00 175.30 175.02 2dxb s VAL 178 N 1.28 5.10 -0.23 7.11 1.01 -1.26 -2.29 120.40 131.13 2dxb s VAL 178 Ca 0.04 1.05 -0.04 0.00 0.00 0.00 0.00 61.98 63.02 2dxb s VAL 178 Cb -0.14 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 2dxb s VAL 178 CO -0.09 0.36 -0.02 0.00 0.00 0.00 0.00 175.10 175.35 2dxb s ALA 179 N 0.31 2.86 -0.41 5.51 0.00 -0.49 -4.97 121.76 124.56 2dxb s ALA 179 Ca 0.28 -1.23 -0.13 0.00 0.00 0.00 0.00 51.96 50.87 2dxb s ALA 179 Cb -0.16 -1.78 0.04 0.00 0.00 0.00 0.00 23.12 21.21 2dxb s ALA 179 CO 0.13 -0.54 0.29 0.34 0.00 0.00 0.00 175.76 175.97 2dxb s ASP 180 N 1.47 5.96 -1.26 0.00 -1.08 -1.26 -1.61 116.67 118.90 2dxb s ASP 180 Ca 0.05 -1.08 -0.19 0.00 -0.52 0.00 0.00 52.55 50.81 2dxb s ASP 180 Cb -0.15 -2.11 0.03 0.00 -1.46 0.00 0.00 42.92 39.23 2dxb s ASP 180 CO -0.02 -0.48 1.78 -0.44 0.52 0.00 0.00 175.17 176.53 2dxb s SER 181 N 1.87 6.37 0.00 -0.34 0.01 0.18 -4.71 113.70 117.07 2dxb s SER 181 Ca 0.04 -2.21 0.23 0.00 1.31 0.00 0.00 55.95 55.31 2dxb s SER 181 Cb -0.21 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.49 2dxb s SER 181 CO 0.08 -1.67 1.12 -0.46 0.41 0.00 0.00 173.24 172.71 2dxb n ASN 182 N 9.95 1.81 0.00 2.44 6.94 -1.26 -4.71 115.26 130.42 2dxb n ASN 182 Ca 0.47 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.65 2dxb n ASN 182 Cb 0.46 0.50 0.00 0.00 -2.36 0.00 0.00 39.78 38.39 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 -0.26 1.23 0.00 -3.83 1.13 -1.26 -5.04 117.38 109.34 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 0.44 0.00 0.34 0.00 0.11 0.00 0.00 30.24 31.13 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 0.68 -2.97 -1.09 5.02 -1.26 -4.90 118.16 113.63 2dxb n LYS 184 Ca 0.00 -0.41 -0.39 0.00 -2.02 0.00 0.00 58.31 55.50 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 -2.60 4.37 0.07 -0.18 2.01 -1.26 -4.31 115.64 113.74 2dxb s THR 185 Ca 0.21 1.66 0.09 0.00 0.31 0.00 0.00 61.69 63.96 2dxb s THR 185 Cb 0.19 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2dxb s THR 185 CO 0.56 0.43 -0.25 -0.13 -0.69 0.00 0.00 174.62 174.54 2dxb s ARG 186 N -1.38 1.53 0.22 4.92 1.81 -1.03 -4.75 118.95 120.26 2dxb s ARG 186 Ca 0.39 -1.14 0.09 0.00 -1.72 0.00 0.00 55.73 53.35 2dxb s ARG 186 Cb -0.22 -1.78 -0.05 0.00 -0.45 0.00 0.00 34.95 32.45 2dxb s ARG 186 CO 0.25 0.45 -0.18 0.71 -0.68 0.00 0.00 175.30 175.85 2dxb s TYR 187 N -0.91 1.94 0.01 -0.53 2.02 -1.26 -0.91 117.35 117.71 2dxb s TYR 187 Ca 0.11 -0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 56.34 2dxb s TYR 187 Cb -0.10 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.55 2dxb s TYR 187 CO 0.03 0.47 -0.01 0.96 -1.57 0.00 0.00 175.55 175.42 2dxb s ILE 188 N -2.52 0.06 -0.16 2.71 -4.36 -1.12 -4.53 121.20 111.28 2dxb s ILE 188 Ca 0.23 -0.48 -0.11 0.00 -0.26 0.00 0.00 60.65 60.02 2dxb s ILE 188 Cb -0.04 -0.15 -0.05 0.00 1.25 0.00 0.00 42.46 43.48 2dxb s ILE 188 CO 0.09 -0.27 0.21 -0.69 0.24 0.00 0.00 174.94 174.53 2dxb s VAL 189 N -0.78 5.36 -0.63 8.37 1.01 0.40 -1.24 120.40 132.90 2dxb s VAL 189 Ca -0.09 0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.13 2dxb s VAL 189 Cb -0.05 -3.53 0.16 0.00 0.00 0.00 0.00 36.38 32.95 2dxb s VAL 189 CO -0.01 0.46 0.56 -0.32 0.00 0.00 0.00 175.10 175.79 2dxb s MET 190 N 0.09 3.07 0.86 2.72 1.75 0.11 -4.41 119.30 123.49 2dxb s MET 190 Ca 0.13 -2.03 -0.11 0.00 -1.25 0.00 0.00 55.69 52.43 2dxb s MET 190 Cb -0.12 -4.24 0.11 0.00 2.84 0.00 0.00 34.83 33.42 2dxb s MET 190 CO 0.02 -1.28 1.09 -1.25 -0.65 0.00 0.00 175.02 172.95 2dxb s PRO 191 N 0.97 1.55 0.49 4.11 0.04 -1.26 -0.78 135.00 140.12 2dxb s PRO 191 Ca 0.09 0.88 -0.21 0.00 0.04 0.00 0.00 61.00 61.80 2dxb s PRO 191 Cb -0.22 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 2dxb s PRO 191 CO -0.02 -2.05 1.11 0.14 0.04 0.00 0.00 177.00 176.22 2dxb s VAL 192 N -2.95 3.35 0.03 -0.36 -7.23 -1.26 -4.77 120.40 107.22 2dxb s VAL 192 Ca 0.63 0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 61.41 2dxb s VAL 192 Cb -0.17 -3.41 -0.07 0.00 0.56 0.00 0.00 36.38 33.28 2dxb s VAL 192 CO 0.56 -0.11 1.58 -0.60 -0.31 0.00 0.00 175.10 176.23 2dxb s ARG 193 N -3.01 4.22 0.60 4.82 3.52 -1.26 -4.82 118.95 123.02 2dxb s ARG 193 Ca 0.67 2.21 -0.17 0.00 -0.13 0.00 0.00 55.73 58.31 2dxb s ARG 193 Cb -0.23 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.48 2dxb s ARG 193 CO 0.28 -0.71 1.11 -1.25 -0.81 0.00 0.00 175.30 173.92 2dxb s PRO 194 N 2.77 3.12 0.69 5.12 0.04 -1.26 -5.01 135.00 140.48 2dxb s PRO 194 Ca 0.71 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 63.06 2dxb s PRO 194 Cb -0.37 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.21 2dxb s PRO 194 CO 0.30 -1.00 1.14 -2.00 0.04 0.00 0.00 177.00 175.48 2dxb s GLU 195 N -3.72 2.51 0.00 4.56 2.56 -1.26 -3.91 118.70 119.44 2dxb s GLU 195 Ca 0.69 1.51 0.00 0.00 0.00 0.00 0.00 54.97 57.17 2dxb s GLU 195 Cb -0.21 -1.90 0.00 0.00 2.00 0.00 0.00 34.13 34.01 2dxb s GLU 195 CO 0.34 -1.50 0.00 0.41 -0.56 0.00 0.00 175.26 173.95 2dxb n GLY 196 N -0.20 0.63 0.55 -1.50 0.00 -1.26 -4.73 105.19 98.67 2dxb n GLY 196 Ca 0.11 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.43 1.03 -1.81 2.61 -2.24 -1.25 -4.91 114.28 104.28 2dxb n THR 197 Ca 0.00 -1.52 -0.42 0.00 -2.27 0.00 0.00 64.05 59.84 2dxb n THR 197 Cb 0.37 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 2dxb n THR 197 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dxb s ASP 198 N -2.21 6.46 0.00 3.42 1.01 -1.26 -2.06 116.67 122.03 2dxb s ASP 198 Ca 0.24 2.79 0.00 0.00 0.71 0.00 0.00 52.55 56.28 2dxb s ASP 198 Cb 0.23 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.56 2dxb s ASP 198 CO -0.03 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.05 2dxb n GLY 199 N 3.60 1.42 3.76 0.21 0.00 -1.26 -5.00 105.19 107.93 2dxb n GLY 199 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.37 2.41 0.81 1.61 0.52 -0.88 -5.01 118.94 115.04 2dxb s TRP 200 Ca 0.00 1.35 -0.12 0.00 0.02 0.00 0.00 56.10 57.36 2dxb s TRP 200 Cb 0.00 -3.80 0.09 0.00 -1.15 0.00 0.00 33.47 28.61 2dxb s TRP 200 CO 0.00 -2.76 1.17 0.95 0.02 0.00 0.00 176.95 176.33 2dxb s THR 201 N -1.29 2.04 0.23 2.01 -4.23 -1.26 -4.87 115.64 108.28 2dxb s THR 201 Ca 0.67 -0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 61.06 2dxb s THR 201 Cb -0.40 -3.00 0.22 0.00 1.34 0.00 0.00 72.50 70.66 2dxb s THR 201 CO 0.49 0.00 1.89 -0.08 -0.54 0.00 0.00 174.62 176.39 2dxb h GLU 202 N -1.05 1.22 -0.57 3.99 4.81 -1.95 -1.66 114.58 119.38 2dxb h GLU 202 Ca -0.45 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 58.60 2dxb h GLU 202 Cb 1.32 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2dxb h GLU 202 CO 0.62 0.84 0.06 -0.44 -0.73 0.00 0.00 179.01 179.36 2dxb h ASP 203 N 1.25 0.94 -0.79 1.04 3.32 -1.98 -0.21 116.42 119.99 2dxb h ASP 203 Ca 0.33 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2dxb h ASP 203 Cb -0.09 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.18 2dxb h ASP 203 CO -0.07 0.98 0.37 1.56 -1.72 0.00 0.00 179.24 180.36 2dxb h GLN 204 N 0.86 1.15 -0.14 3.56 4.20 -1.84 -1.62 115.11 121.29 2dxb h GLN 204 Ca 0.17 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 2dxb h GLN 204 Cb 0.46 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 2dxb h GLN 204 CO 0.02 0.90 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.92 2dxb h LEU 205 N 1.12 0.31 -1.69 1.46 3.38 -1.11 -3.04 115.31 115.74 2dxb h LEU 205 Ca 0.27 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2dxb h LEU 205 Cb 0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2dxb h LEU 205 CO -0.03 0.68 0.32 0.00 0.09 0.00 0.00 178.44 179.50 2dxb h ALA 206 N 0.64 1.95 0.00 1.53 0.00 -0.88 -2.23 119.26 120.27 2dxb h ALA 206 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2dxb h ALA 206 Cb 0.57 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2dxb h ALA 206 CO 0.02 -0.04 -0.06 1.49 0.00 0.00 0.00 179.25 180.66 2dxb h GLU 207 N 0.38 0.00 -0.18 0.00 4.81 -1.17 -2.17 114.58 116.25 2dxb h GLU 207 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2dxb h GLU 207 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2dxb h GLU 207 CO -0.05 0.06 0.00 0.44 -0.73 0.00 0.00 179.01 178.73 2dxb n ILE 208 N -4.27 0.22 -3.29 2.32 -5.35 -0.84 -4.42 119.36 103.72 2dxb n ILE 208 Ca -0.03 -0.53 -0.46 0.00 -0.27 0.00 0.00 62.75 61.46 2dxb n ILE 208 Cb 0.14 0.97 -0.02 0.00 -1.74 0.00 0.00 39.64 39.00 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 -1.78 5.62 0.79 7.28 1.01 -0.82 -4.31 120.40 128.19 2dxb s VAL 209 Ca 0.34 -2.62 -0.11 0.00 0.00 0.00 0.00 61.98 59.59 2dxb s VAL 209 Cb 0.21 -4.54 0.08 0.00 0.00 0.00 0.00 36.38 32.12 2dxb s VAL 209 CO 0.30 -1.12 1.16 0.42 0.00 0.00 0.00 175.10 175.86 2dxb s THR 210 N 0.09 2.08 0.19 3.92 -4.23 -1.26 -4.60 115.64 111.83 2dxb s THR 210 Ca 0.23 -0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.60 2dxb s THR 210 Cb -0.09 -3.02 0.12 0.00 1.34 0.00 0.00 72.50 70.86 2dxb s THR 210 CO -0.09 -0.02 1.71 -0.09 -0.54 0.00 0.00 174.62 175.59 2dxb h ARG 211 N -0.99 0.22 -0.45 3.99 2.43 -1.96 -0.92 114.38 116.71 2dxb h ARG 211 Ca -0.46 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.74 2dxb h ARG 211 Cb 1.33 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 2dxb h ARG 211 CO 0.65 0.14 0.30 -0.44 -1.51 0.00 0.00 179.97 179.11 2dxb h ASP 212 N 0.23 0.40 0.20 -3.80 3.32 -1.95 -0.45 116.42 114.37 2dxb h ASP 212 Ca 0.27 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 2dxb h ASP 212 Cb 0.37 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2dxb h ASP 212 CO -0.36 0.27 -0.52 0.00 -1.72 0.00 0.00 179.24 176.91 2dxb h LEU 214 N 0.28 0.00 0.07 0.00 3.38 -0.44 -2.88 115.31 115.71 2dxb h LEU 214 Ca 0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2dxb h LEU 214 Cb 1.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2dxb h LEU 214 CO 0.09 0.16 -1.63 0.40 0.09 0.00 0.00 178.44 177.54 2dxb h ILE 215 N 0.00 1.00 0.00 1.22 2.04 -0.95 0.12 117.51 120.93 2dxb h ILE 215 Ca -0.00 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 63.13 2dxb h ILE 215 Cb 0.84 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2dxb h ILE 215 CO 0.02 0.74 0.00 0.61 0.00 0.00 0.00 178.15 179.52 2dxb n GLY 216 N 1.67 0.86 0.38 5.37 0.00 -0.11 -0.88 105.19 112.47 2dxb n GLY 216 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.90 0.10 -3.69 1.61 0.24 -0.82 -4.63 118.33 110.25 2dxb n VAL 217 Ca 0.00 -0.23 -0.10 0.00 -2.04 0.00 0.00 64.34 61.97 2dxb n VAL 217 Cb 0.00 0.20 -0.05 0.00 -1.47 0.00 0.00 33.84 32.52 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 -1.90 -0.85 0.09 2.33 0.00 -1.17 -4.66 121.76 115.59 2dxb s ALA 218 Ca 0.34 -0.17 0.10 0.00 0.00 0.00 0.00 51.96 52.23 2dxb s ALA 218 Cb 0.18 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 2dxb s ALA 218 CO 0.28 -0.69 -0.24 0.14 0.00 0.00 0.00 175.76 175.26 2dxb s VAL 219 N -3.84 2.43 0.46 0.00 -7.23 -1.26 -4.15 120.40 106.82 2dxb s VAL 219 Ca 0.06 -1.52 -0.23 0.00 -1.81 0.00 0.00 61.98 58.47 2dxb s VAL 219 Cb 0.01 -2.05 -0.07 0.00 0.56 0.00 0.00 36.38 34.83 2dxb s VAL 219 CO -0.09 0.20 1.22 -2.16 -0.31 0.00 0.00 175.10 173.97 2dxb s PRO 220 N -1.77 3.70 -0.03 4.82 0.04 -1.26 -4.97 135.00 135.53 2dxb s PRO 220 Ca 0.14 1.93 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 2dxb s PRO 220 Cb -0.10 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.99 2dxb s PRO 220 CO 0.06 -0.64 0.06 0.15 0.04 0.00 0.00 177.00 176.67 2dxb s LYS 221 N -2.62 0.05 0.24 4.56 1.02 -1.26 -4.66 119.74 117.07 2dxb s LYS 221 Ca 0.63 0.14 -0.31 0.00 0.02 0.00 0.00 55.97 56.45 2dxb s LYS 221 Cb -0.33 -0.05 -0.12 0.00 -0.52 0.00 0.00 37.83 36.81 2dxb s LYS 221 CO 0.40 -0.06 1.58 -2.30 -0.92 0.00 0.00 175.35 174.05 2dxb n PRO 222 N 3.42 2.49 0.00 -1.68 -0.02 -1.26 -1.44 135.00 136.50 2dxb n PRO 222 Ca -0.17 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2dxb n PRO 222 Cb 0.57 -2.66 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 2.77 1.99 3.36 -1.23 0.00 -1.26 -5.01 105.19 105.81 2dxb n GLY 223 Ca 0.12 0.00 -0.40 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 -2.35 4.48 -0.06 -0.61 -1.09 -0.52 -4.93 121.20 116.13 2dxb s ILE 224 Ca 0.00 -0.89 0.09 0.00 -2.23 0.00 0.00 60.65 57.62 2dxb s ILE 224 Cb 0.00 -3.51 0.13 0.00 -1.58 0.00 0.00 42.46 37.51 2dxb s ILE 224 CO 0.00 -0.23 1.06 0.35 -1.23 0.00 0.00 174.94 174.89 2dxb n THR 225 N 4.98 1.39 -3.93 2.92 -2.24 -1.26 -4.39 114.28 111.74 2dxb n THR 225 Ca -0.12 -1.57 -0.09 0.00 -2.27 0.00 0.00 64.05 60.00 2dxb n THR 225 Cb 0.46 0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.85 0.13 0.72 2.28 -7.23 -1.26 -4.91 120.40 108.28 2dxb s VAL 226 Ca 0.15 -1.10 -0.15 0.00 -1.81 0.00 0.00 61.98 59.07 2dxb s VAL 226 Cb 0.13 -0.90 0.03 0.00 0.56 0.00 0.00 36.38 36.20 2dxb s VAL 226 CO 0.01 -0.60 1.20 0.20 -0.31 0.00 0.00 175.10 175.60 2dxb s ASN 227 N -2.13 4.33 0.35 4.85 0.01 -1.26 -4.90 114.94 116.18 2dxb s ASN 227 Ca -0.05 2.32 -0.28 0.00 -0.71 0.00 0.00 52.86 54.14 2dxb s ASN 227 Cb -0.01 -2.59 -0.12 0.00 0.41 0.00 0.00 41.25 38.95 2dxb s ASN 227 CO -0.05 -2.17 1.38 0.00 -1.51 0.00 0.00 177.10 174.75 2dxb n ALA 228 N -2.64 1.74 -2.30 0.60 0.00 -1.26 -4.90 120.51 111.74 2dxb n ALA 228 Ca 0.13 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 2dxb n ALA 228 Cb 0.50 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.86 4.38 0.12 0.00 2.20 -1.26 -5.02 119.74 118.31 2dxb s LYS 229 Ca 0.55 1.91 -0.02 0.00 -0.36 0.00 0.00 55.97 58.05 2dxb s LYS 229 Cb -0.53 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 2dxb s LYS 229 CO 0.62 -0.33 0.07 -0.98 -0.36 0.00 0.00 175.35 174.36 2dxb s ARG 230 N 1.05 0.89 0.45 4.03 1.70 -1.26 -5.13 118.95 120.68 2dxb s ARG 230 Ca 0.61 -1.36 -0.22 0.00 -0.47 0.00 0.00 55.73 54.29 2dxb s ARG 230 Cb -0.33 0.25 -0.11 0.00 -0.57 0.00 0.00 34.95 34.20 2dxb s ARG 230 CO 0.30 -0.25 0.80 -2.30 -1.08 0.00 0.00 175.30 172.76 2dxb n PRO 231 N -0.07 0.94 -4.02 3.89 -0.02 -1.26 -4.98 135.00 129.48 2dxb n PRO 231 Ca -0.07 0.34 -0.31 0.00 -2.02 0.00 0.00 63.50 61.44 2dxb n PRO 231 Cb 0.63 -1.83 -0.15 0.00 -0.02 0.00 0.00 33.50 32.13 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 -1.40 2.01 -0.05 -1.45 1.01 -1.26 -5.09 120.40 114.17 2dxb s VAL 232 Ca 0.65 -1.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 2dxb s VAL 232 Cb -0.55 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2dxb s VAL 232 CO 0.56 -0.18 1.17 -0.22 0.00 0.00 0.00 175.10 176.42 2dxb s LEU 233 N 1.14 4.29 0.34 3.92 2.96 -1.26 -5.01 118.68 125.06 2dxb s LEU 233 Ca -0.04 1.79 -0.18 0.00 -0.22 0.00 0.00 54.13 55.48 2dxb s LEU 233 Cb -0.19 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.84 2dxb s LEU 233 CO -0.06 -0.54 0.82 -0.54 -1.32 0.00 0.00 176.35 174.70 2dxb s LYS 234 N 2.03 4.16 0.23 1.98 1.02 -1.26 -5.07 119.74 122.83 2dxb s LYS 234 Ca 0.55 0.89 -0.09 0.00 0.02 0.00 0.00 55.97 57.34 2dxb s LYS 234 Cb -0.24 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.56 2dxb s LYS 234 CO 0.22 0.14 0.54 0.00 -0.92 0.00 0.00 175.35 175.33 2dxb s ALA 235 N -1.95 3.59 0.12 5.17 0.00 -1.26 -5.00 121.76 122.42 2dxb s ALA 235 Ca 0.55 -0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.00 2dxb s ALA 235 Cb -0.11 -2.40 -0.07 0.00 0.00 0.00 0.00 23.12 20.54 2dxb s ALA 235 CO 0.17 0.50 1.76 -0.97 0.00 0.00 0.00 175.76 177.22 2dxb h ASN 236 N 2.49 0.25 -2.55 0.00 -1.24 -2.06 -3.35 115.58 109.12 2dxb h ASN 236 Ca -0.47 -0.03 -0.60 0.00 0.71 0.00 0.00 56.30 55.91 2dxb h ASN 236 Cb 1.17 -0.06 -0.39 0.00 0.73 0.00 0.00 38.32 39.77 2dxb h ASN 236 CO 0.69 0.20 -0.87 -0.60 -1.29 0.00 0.00 177.43 175.56 2dxb s ARG 237 N -6.08 1.30 0.86 6.67 3.52 -1.26 -5.13 118.95 118.83 2dxb s ARG 237 Ca -0.13 -2.43 -0.10 0.00 -0.13 0.00 0.00 55.73 52.94 2dxb s ARG 237 Cb 0.08 -1.93 0.11 0.00 -1.56 0.00 0.00 34.95 31.66 2dxb s ARG 237 CO 0.70 -1.36 1.13 -1.25 -0.81 0.00 0.00 175.30 173.70 2dxb s PRO 238 N -0.33 1.48 0.00 5.12 0.04 -1.26 -5.25 135.00 134.80 2dxb s PRO 238 Ca 0.31 1.42 0.31 0.00 0.04 0.00 0.00 61.00 63.08 2dxb s PRO 238 Cb 0.02 -1.79 1.76 0.00 0.04 0.00 0.00 34.50 34.53 2dxb s PRO 238 CO -0.19 -2.27 2.15 0.28 0.04 0.00 0.00 177.00 177.01