#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xob n ASP 2 N 0.00 5.04 -2.45 6.43 2.03 -1.26 -4.67 116.55 121.66 1xob n ASP 2 Ca 0.00 -2.51 -0.21 0.00 0.52 0.00 0.00 54.79 52.59 1xob n ASP 2 Cb 0.00 -1.26 -0.12 0.00 -0.72 0.00 0.00 41.12 39.02 1xob n ASP 2 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1xob n LYS 3 N 4.92 2.59 -4.55 -0.67 5.02 -1.26 -4.87 118.16 119.34 1xob n LYS 3 Ca 0.53 -1.45 -0.31 0.00 -2.02 0.00 0.00 58.31 55.06 1xob n LYS 3 Cb 0.24 -2.26 -0.11 0.00 -0.02 0.00 0.00 35.03 32.87 1xob n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xob s ILE 4 N 1.24 3.24 -0.50 -0.18 1.01 -1.26 -4.64 121.20 120.10 1xob s ILE 4 Ca 0.68 -0.98 -0.24 0.00 0.00 0.00 0.00 60.65 60.11 1xob s ILE 4 Cb 0.28 -2.39 0.04 0.00 0.01 0.00 0.00 42.46 40.39 1xob s ILE 4 CO -0.03 0.36 0.87 -0.63 0.00 0.00 0.00 174.94 175.51 1xob s ILE 5 N -0.97 4.52 -0.96 2.92 -1.09 -0.18 -4.89 121.20 120.54 1xob s ILE 5 Ca 0.16 0.35 -0.24 0.00 -2.23 0.00 0.00 60.65 58.69 1xob s ILE 5 Cb -0.11 -4.44 0.04 0.00 -1.58 0.00 0.00 42.46 36.38 1xob s ILE 5 CO 0.07 -0.92 1.43 -1.00 -1.23 0.00 0.00 174.94 173.28 1xob s HIS 6 N 3.62 2.46 0.74 3.97 3.76 -1.26 -0.66 115.29 127.92 1xob s HIS 6 Ca 0.30 -0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 54.46 1xob s HIS 6 Cb -0.12 -4.67 0.03 0.00 1.11 0.00 0.00 32.58 28.93 1xob s HIS 6 CO 0.21 -1.97 1.08 -0.51 -0.85 0.00 0.00 174.74 172.70 1xob s LEU 7 N 5.25 2.88 0.11 0.89 1.43 0.95 -4.97 118.68 125.23 1xob s LEU 7 Ca 0.44 1.42 0.01 0.00 -1.03 0.00 0.00 54.13 54.97 1xob s LEU 7 Cb -0.02 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 1xob s LEU 7 CO -0.05 -1.63 -0.02 0.42 0.23 0.00 0.00 176.35 175.31 1xob s THR 8 N -3.13 0.47 0.22 5.49 -4.23 -1.26 -4.21 115.64 109.00 1xob s THR 8 Ca 0.59 -1.91 -0.07 0.00 -1.18 0.00 0.00 61.69 59.11 1xob s THR 8 Cb -0.14 -1.82 0.17 0.00 1.34 0.00 0.00 72.50 72.05 1xob s THR 8 CO 0.54 -0.73 1.75 -0.78 -0.54 0.00 0.00 174.62 174.86 1xob h ASP 9 N 2.92 0.29 -1.00 3.99 3.58 -1.95 0.71 116.42 124.97 1xob h ASP 9 Ca -0.35 0.08 0.09 0.00 0.42 0.00 0.00 57.03 57.27 1xob h ASP 9 Cb 1.18 0.05 -0.08 0.00 1.72 0.00 0.00 39.33 42.20 1xob h ASP 9 CO 0.63 0.15 0.64 0.44 -2.88 0.00 0.00 179.24 178.23 1xob h ASP 10 N 0.46 0.98 0.10 2.28 5.19 -2.01 -2.76 116.42 120.65 1xob h ASP 10 Ca 0.35 0.03 -0.20 0.00 -0.62 0.00 0.00 57.03 56.58 1xob h ASP 10 Cb 0.45 -0.18 0.02 0.00 0.18 0.00 0.00 39.33 39.81 1xob h ASP 10 CO -0.33 0.58 -0.85 0.28 -3.12 0.00 0.00 179.24 175.79 1xob h SER 11 N 1.08 0.58 -0.55 6.45 0.02 -1.56 -3.39 113.55 116.17 1xob h SER 11 Ca 0.46 -0.87 0.08 0.00 -0.84 0.00 0.00 61.79 60.62 1xob h SER 11 Cb 0.33 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.60 1xob h SER 11 CO -0.21 1.39 -0.25 0.33 -1.14 0.00 0.00 176.83 176.95 1xob n PHE 12 N -4.08 -0.05 -0.22 3.45 -0.00 0.10 -0.44 117.46 116.22 1xob n PHE 12 Ca -0.13 0.68 0.11 0.00 -0.00 0.00 0.00 57.45 58.11 1xob n PHE 12 Cb 0.82 -0.66 0.39 0.00 -0.00 0.00 0.00 39.48 40.03 1xob n PHE 12 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1xob h ASP 13 N 0.00 0.61 0.00 -2.13 5.19 -1.75 0.24 116.42 118.59 1xob h ASP 13 Ca 0.16 0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.44 1xob h ASP 13 Cb 0.30 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1xob h ASP 13 CO -0.54 0.35 -1.04 0.41 -3.12 0.00 0.00 179.24 175.29 1xob n THR 14 N -4.52 1.49 0.06 0.35 -1.04 0.42 -3.08 114.28 107.96 1xob n THR 14 Ca 0.14 0.05 -0.13 0.00 -2.04 0.00 0.00 64.05 62.08 1xob n THR 14 Cb 0.39 -2.16 -0.07 0.00 -1.82 0.00 0.00 70.33 66.67 1xob n THR 14 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1xob h ASP 15 N -1.00 -0.06 0.00 8.00 5.19 -0.74 -2.96 116.42 124.85 1xob h ASP 15 Ca -0.24 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1xob h ASP 15 Cb 1.04 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.57 1xob h ASP 15 CO -0.15 0.02 -0.69 0.52 -3.12 0.00 0.00 179.24 175.82 1xob n VAL 16 N -5.09 1.41 0.29 -1.35 0.31 0.75 -3.46 118.33 111.19 1xob n VAL 16 Ca -0.08 0.20 0.15 0.00 -0.01 0.00 0.00 64.34 64.60 1xob n VAL 16 Cb 0.08 -2.35 0.86 0.00 -0.91 0.00 0.00 33.84 31.52 1xob n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1xob h LEU 17 N -0.97 0.00 -3.39 7.52 3.38 -1.36 -0.45 115.31 120.04 1xob h LEU 17 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1xob h LEU 17 Cb 0.69 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.28 1xob h LEU 17 CO 0.00 0.06 -0.24 0.29 0.09 0.00 0.00 178.44 178.63 1xob n LYS 18 N -3.62 2.15 -1.72 1.13 5.02 -1.12 -4.23 118.16 115.77 1xob n LYS 18 Ca -0.02 -3.40 -0.40 0.00 -2.02 0.00 0.00 58.31 52.46 1xob n LYS 18 Cb 0.16 -1.89 0.02 0.00 -0.02 0.00 0.00 35.03 33.31 1xob n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xob n ALA 19 N -1.04 1.45 -1.26 7.82 0.00 -0.19 -4.86 120.51 122.43 1xob n ALA 19 Ca 0.34 0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.70 1xob n ALA 19 Cb 0.93 -2.30 0.11 0.00 0.00 0.00 0.00 19.45 18.20 1xob n ALA 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xob n ASP 20 N -0.17 6.19 0.00 0.00 8.00 -1.26 -4.33 116.55 124.99 1xob n ASP 20 Ca 0.07 -3.69 0.00 0.00 0.71 0.00 0.00 54.79 51.89 1xob n ASP 20 Cb 0.41 -0.93 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 1xob n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xob n GLY 21 N -0.96 -0.46 3.62 0.44 0.00 -1.26 -5.00 105.19 101.58 1xob n GLY 21 Ca 0.60 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1xob n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xob s ALA 22 N -1.00 3.58 -0.18 4.61 0.00 -1.26 -0.83 121.76 126.68 1xob s ALA 22 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1xob s ALA 22 Cb 0.00 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.93 1xob s ALA 22 CO 0.00 -1.03 -0.20 0.42 0.00 0.00 0.00 175.76 174.95 1xob s ILE 23 N 2.78 2.11 -0.50 0.00 1.01 0.47 -0.88 121.20 126.19 1xob s ILE 23 Ca 0.31 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.82 1xob s ILE 23 Cb -0.15 -1.88 0.05 0.00 0.01 0.00 0.00 42.46 40.49 1xob s ILE 23 CO 0.10 0.54 0.71 -0.22 0.00 0.00 0.00 174.94 176.07 1xob s LEU 24 N 1.22 4.66 -0.43 2.97 1.98 0.11 -0.23 118.68 128.95 1xob s LEU 24 Ca 0.03 -0.66 -0.16 0.00 -2.89 0.00 0.00 54.13 50.44 1xob s LEU 24 Cb -0.13 -2.60 0.03 0.00 0.66 0.00 0.00 46.19 44.15 1xob s LEU 24 CO -0.11 -0.96 0.41 -0.69 -1.89 0.00 0.00 176.35 173.11 1xob s VAL 25 N 3.00 5.14 -0.43 1.68 1.01 0.41 0.08 120.40 131.30 1xob s VAL 25 Ca 0.20 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 1xob s VAL 25 Cb -0.17 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1xob s VAL 25 CO 0.15 -0.45 0.56 -0.62 0.00 0.00 0.00 175.10 174.73 1xob s ASP 26 N 1.99 6.27 -0.25 3.32 3.68 0.24 -0.51 116.67 131.41 1xob s ASP 26 Ca 0.09 -0.48 -0.28 0.00 2.13 0.00 0.00 52.55 54.01 1xob s ASP 26 Cb -0.19 -2.28 0.01 0.00 -1.45 0.00 0.00 42.92 39.01 1xob s ASP 26 CO 0.11 -0.69 0.98 -0.36 0.13 0.00 0.00 175.17 175.34 1xob s PHE 27 N 2.53 3.30 0.29 -5.34 0.40 0.91 -0.35 117.98 119.72 1xob s PHE 27 Ca 0.18 1.33 0.03 0.00 -0.60 0.00 0.00 56.93 57.86 1xob s PHE 27 Cb -0.15 -3.26 -0.04 0.00 0.51 0.00 0.00 43.02 40.07 1xob s PHE 27 CO 0.17 -0.50 0.15 1.67 0.70 0.00 0.00 175.22 177.41 1xob s TRP 28 N 3.16 1.55 0.01 0.36 1.48 0.07 -1.80 118.94 123.76 1xob s TRP 28 Ca 0.41 -1.35 -0.08 0.00 -1.06 0.00 0.00 56.10 54.03 1xob s TRP 28 Cb -0.15 -0.83 0.00 0.00 -1.16 0.00 0.00 33.47 31.34 1xob s TRP 28 CO 0.08 -0.51 0.16 0.00 -4.06 0.00 0.00 176.95 172.61 1xob s ALA 29 N -3.68 -0.35 0.11 2.67 0.00 -1.26 -0.48 121.76 118.77 1xob s ALA 29 Ca 0.36 -0.14 -0.23 0.00 0.00 0.00 0.00 51.96 51.96 1xob s ALA 29 Cb 0.06 0.14 -0.07 0.00 0.00 0.00 0.00 23.12 23.24 1xob s ALA 29 CO 0.17 -0.24 1.69 0.93 0.00 0.00 0.00 175.76 178.31 1xob h GLU 30 N 4.10 -0.14 0.00 0.00 5.08 -1.99 -2.68 114.58 118.95 1xob h GLU 30 Ca -0.31 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1xob h GLU 30 Cb 1.19 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1xob h GLU 30 CO 0.42 -0.09 -0.19 0.11 -1.00 0.00 0.00 179.01 178.26 1xob h TRP 31 N -0.15 0.00 -0.77 4.33 5.08 -2.05 -3.39 115.95 119.00 1xob h TRP 31 Ca 0.05 0.00 -0.66 0.00 1.08 0.00 0.00 58.89 59.36 1xob h TRP 31 Cb 0.22 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.30 1xob h TRP 31 CO -0.18 0.19 2.21 0.00 -1.28 0.00 0.00 178.44 179.37 1xob n GLY 33 N 5.33 -0.91 0.59 0.00 0.00 -1.26 -0.44 105.19 108.50 1xob n GLY 33 Ca 0.49 0.37 0.41 0.00 0.00 0.00 0.00 46.02 47.29 1xob n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xob h PRO 34 N 0.00 0.00 -0.93 1.61 0.11 -1.94 0.26 132.00 131.11 1xob h PRO 34 Ca 0.05 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.24 1xob h PRO 34 Cb 0.12 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.16 1xob h PRO 34 CO -0.27 0.00 0.58 0.00 -0.21 0.00 0.00 178.00 178.10 1xob h LYS 36 N 1.01 0.00 -0.02 0.00 1.79 -0.64 0.19 116.57 118.90 1xob h LYS 36 Ca 0.42 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.81 1xob h LYS 36 Cb 0.27 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1xob h LYS 36 CO -0.20 0.02 -0.32 1.98 -1.08 0.00 0.00 179.45 179.85 1xob h MET 37 N 0.00 0.25 -0.03 3.15 4.05 -0.85 -3.28 114.93 118.22 1xob h MET 37 Ca -0.00 -0.24 -0.14 0.00 -0.28 0.00 0.00 59.70 59.03 1xob h MET 37 Cb 0.58 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 1xob h MET 37 CO 0.00 0.94 -0.63 -0.84 0.23 0.00 0.00 176.91 176.61 1xob h ILE 38 N -0.34 1.43 -0.86 1.77 3.07 -1.10 -3.36 117.51 118.10 1xob h ILE 38 Ca -0.03 -2.10 0.08 0.00 1.55 0.00 0.00 64.86 64.35 1xob h ILE 38 Cb 1.03 2.11 -0.10 0.00 -0.27 0.00 0.00 36.82 39.59 1xob h ILE 38 CO 0.06 0.61 -0.51 0.00 -1.05 0.00 0.00 178.15 177.27 1xob n ALA 39 N -2.44 -0.55 -0.36 0.16 0.00 0.04 -0.48 120.51 116.87 1xob n ALA 39 Ca -0.02 0.73 0.03 0.00 0.00 0.00 0.00 53.44 54.18 1xob n ALA 39 Cb 0.63 -0.11 0.17 0.00 0.00 0.00 0.00 19.45 20.15 1xob n ALA 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xob h PRO 40 N 0.00 1.11 0.09 0.00 0.13 -1.74 0.10 132.00 131.69 1xob h PRO 40 Ca 0.14 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1xob h PRO 40 Cb 0.35 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.22 1xob h PRO 40 CO -0.81 0.73 -0.09 0.82 -0.23 0.00 0.00 178.00 178.42 1xob h ILE 41 N 1.14 0.79 -0.92 -3.56 2.04 -0.96 0.65 117.51 116.68 1xob h ILE 41 Ca 0.43 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.36 1xob h ILE 41 Cb 0.18 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 1xob h ILE 41 CO -0.18 0.00 0.58 -0.07 0.00 0.00 0.00 178.15 178.48 1xob h LEU 42 N -0.20 0.90 -0.10 1.44 3.38 -0.06 0.70 115.31 121.36 1xob h LEU 42 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xob h LEU 42 Cb 0.20 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xob h LEU 42 CO -0.03 0.55 0.07 0.44 0.09 0.00 0.00 178.44 179.55 1xob h ASP 43 N 1.02 0.12 -0.06 -0.43 3.32 -0.08 0.19 116.42 120.50 1xob h ASP 43 Ca 0.42 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.47 1xob h ASP 43 Cb 0.24 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1xob h ASP 43 CO -0.20 0.10 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.01 1xob h GLU 44 N 0.13 -0.12 -0.53 3.56 5.08 -0.08 -1.57 114.58 121.04 1xob h GLU 44 Ca 0.04 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1xob h GLU 44 Cb -0.00 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1xob h GLU 44 CO -0.01 -0.08 0.19 0.82 -1.00 0.00 0.00 179.01 178.94 1xob h ILE 45 N -0.12 0.82 -0.93 3.13 1.08 -0.67 0.65 117.51 121.47 1xob h ILE 45 Ca 0.05 -0.13 0.11 0.00 -0.39 0.00 0.00 64.86 64.50 1xob h ILE 45 Cb 0.20 0.41 -0.08 0.00 -3.07 0.00 0.00 36.82 34.27 1xob h ILE 45 CO -0.13 0.07 0.56 0.00 -0.69 0.00 0.00 178.15 177.96 1xob h ALA 46 N 1.36 1.37 0.33 1.87 0.00 0.09 0.15 119.26 124.42 1xob h ALA 46 Ca 0.26 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1xob h ALA 46 Cb 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xob h ALA 46 CO -0.26 0.18 -0.16 0.22 0.00 0.00 0.00 179.25 179.23 1xob h ASP 47 N 0.92 -0.37 -0.49 0.00 3.58 -0.35 -2.52 116.42 117.18 1xob h ASP 47 Ca 0.45 -0.17 0.10 0.00 0.42 0.00 0.00 57.03 57.83 1xob h ASP 47 Cb 0.42 0.10 -0.09 0.00 1.72 0.00 0.00 39.33 41.48 1xob h ASP 47 CO -0.26 0.07 -0.12 -0.33 -2.88 0.00 0.00 179.24 175.73 1xob h GLU 48 N -0.93 0.00 -0.90 0.28 5.08 -0.46 -1.82 114.58 115.83 1xob h GLU 48 Ca -0.05 -0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.00 1xob h GLU 48 Cb 0.52 -0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.58 1xob h GLU 48 CO 0.07 0.00 0.40 0.66 -1.00 0.00 0.00 179.01 179.15 1xob n TYR 49 N -5.35 2.39 -1.68 4.33 4.02 0.50 -4.98 117.16 116.40 1xob n TYR 49 Ca 0.04 -1.36 -0.46 0.00 -0.01 0.00 0.00 57.90 56.11 1xob n TYR 49 Cb 0.26 -0.74 -0.04 0.00 -0.02 0.00 0.00 39.34 38.80 1xob n TYR 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xob n GLN 50 N -0.50 2.27 0.00 -0.72 10.64 -0.69 -0.30 117.38 128.09 1xob n GLN 50 Ca 0.43 0.83 0.00 0.00 -1.83 0.00 0.00 57.00 56.43 1xob n GLN 50 Cb 1.38 -2.66 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 1xob n GLN 50 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xob n GLY 51 N 4.02 2.93 0.13 2.61 0.00 -1.26 -4.76 105.19 108.87 1xob n GLY 51 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1xob n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xob n LYS 52 N -2.00 0.64 -4.10 1.61 5.02 0.59 -4.95 118.16 114.97 1xob n LYS 52 Ca 0.00 0.18 -0.20 0.00 -2.02 0.00 0.00 58.31 56.27 1xob n LYS 52 Cb 0.00 -1.52 -0.16 0.00 -0.02 0.00 0.00 35.03 33.33 1xob n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xob s LEU 53 N -6.75 1.25 -0.59 -0.35 2.96 0.06 -4.69 118.68 110.56 1xob s LEU 53 Ca -0.35 -0.12 -0.23 0.00 -0.22 0.00 0.00 54.13 53.20 1xob s LEU 53 Cb 0.10 -0.43 0.05 0.00 0.50 0.00 0.00 46.19 46.41 1xob s LEU 53 CO 0.58 -0.07 0.94 -0.89 -1.32 0.00 0.00 176.35 175.59 1xob s THR 54 N 1.03 4.38 0.04 3.68 2.01 -0.06 -4.62 115.64 122.10 1xob s THR 54 Ca -0.09 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 1xob s THR 54 Cb -0.14 -4.58 -0.04 0.00 0.01 0.00 0.00 72.50 67.75 1xob s THR 54 CO -0.01 -1.23 0.99 -0.69 -0.69 0.00 0.00 174.62 173.00 1xob s VAL 55 N 3.96 4.70 0.05 3.82 1.01 -1.26 -0.71 120.40 131.96 1xob s VAL 55 Ca 0.27 2.01 0.02 0.00 0.00 0.00 0.00 61.98 64.28 1xob s VAL 55 Cb -0.14 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1xob s VAL 55 CO 0.16 0.20 -0.08 0.00 0.00 0.00 0.00 175.10 175.38 1xob s ALA 56 N 0.73 0.63 0.01 5.51 0.00 0.11 -1.01 121.76 127.74 1xob s ALA 56 Ca 0.51 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.67 1xob s ALA 56 Cb -0.22 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1xob s ALA 56 CO 0.29 -0.05 -0.15 0.15 0.00 0.00 0.00 175.76 176.00 1xob s LYS 57 N -1.89 1.13 -0.15 0.00 1.02 0.16 -0.60 119.74 119.41 1xob s LYS 57 Ca -0.07 -0.61 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 1xob s LYS 57 Cb -0.08 -1.11 0.04 0.00 -0.52 0.00 0.00 37.83 36.16 1xob s LYS 57 CO -0.00 0.30 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.54 1xob s LEU 58 N -0.61 1.25 -0.52 3.17 0.20 0.52 -0.03 118.68 122.67 1xob s LEU 58 Ca 0.05 -0.58 -0.28 0.00 0.69 0.00 0.00 54.13 54.01 1xob s LEU 58 Cb -0.06 -0.71 0.03 0.00 -0.43 0.00 0.00 46.19 45.01 1xob s LEU 58 CO 0.00 -0.22 1.14 0.21 -0.29 0.00 0.00 176.35 177.19 1xob s ASN 59 N 1.78 6.54 0.46 3.68 3.84 -1.26 -0.75 114.94 129.22 1xob s ASN 59 Ca 0.01 0.26 0.25 0.00 0.21 0.00 0.00 52.86 53.60 1xob s ASN 59 Cb -0.15 -2.54 0.97 0.00 -0.55 0.00 0.00 41.25 38.98 1xob s ASN 59 CO -0.07 -1.33 1.84 0.16 -2.79 0.00 0.00 177.10 174.91 1xob h ILE 60 N 6.19 0.45 -0.20 -5.21 3.07 -0.98 0.67 117.51 121.49 1xob h ILE 60 Ca -0.24 -1.03 -0.00 0.00 1.55 0.00 0.00 64.86 65.14 1xob h ILE 60 Cb 1.06 1.74 -0.01 0.00 -0.27 0.00 0.00 36.82 39.34 1xob h ILE 60 CO 1.14 0.18 0.11 0.44 -1.05 0.00 0.00 178.15 178.98 1xob h ASP 61 N 0.00 0.26 0.48 2.16 3.32 -1.91 -0.65 116.42 120.07 1xob h ASP 61 Ca -0.00 -0.08 -0.20 0.00 0.02 0.00 0.00 57.03 56.76 1xob h ASP 61 Cb 0.72 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1xob h ASP 61 CO 0.02 0.27 -0.87 1.56 -1.72 0.00 0.00 179.24 178.50 1xob h GLN 62 N 0.22 0.27 -2.27 3.56 1.08 -1.91 -3.38 115.11 112.69 1xob h GLN 62 Ca 0.07 -0.29 -0.60 0.00 -1.45 0.00 0.00 58.65 56.38 1xob h GLN 62 Cb 0.07 0.08 -0.42 0.00 -0.05 0.00 0.00 27.48 27.16 1xob h GLN 62 CO -0.01 0.99 -0.57 0.09 -0.95 0.00 0.00 178.83 178.38 1xob n ASN 63 N -3.71 3.75 -0.02 1.46 3.02 0.22 -4.94 115.26 115.05 1xob n ASN 63 Ca -0.04 -3.43 -0.11 0.00 -0.03 0.00 0.00 54.58 50.96 1xob n ASN 63 Cb 0.80 -0.68 -0.05 0.00 -0.61 0.00 0.00 39.78 39.23 1xob n ASN 63 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1xob h PRO 64 N 4.28 0.16 -0.98 3.52 0.13 -1.32 -3.20 132.00 134.59 1xob h PRO 64 Ca 0.20 -0.02 0.34 0.00 -0.87 0.00 0.00 66.00 65.65 1xob h PRO 64 Cb 0.67 -0.03 -0.17 0.00 0.13 0.00 0.00 31.00 31.59 1xob h PRO 64 CO 0.84 0.18 0.34 0.78 -0.23 0.00 0.00 178.00 179.91 1xob h GLY 65 N 0.10 1.81 2.00 1.56 0.00 -1.92 0.56 103.07 107.17 1xob h GLY 65 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1xob h GLY 65 CO -0.01 -0.62 -0.12 -0.84 0.00 0.00 0.00 176.54 174.95 1xob h THR 66 N 0.07 0.62 0.51 4.70 2.02 -1.94 -3.13 112.91 115.75 1xob h THR 66 Ca 0.72 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 1xob h THR 66 Cb 1.71 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1xob h THR 66 CO -0.79 0.12 -0.28 0.00 0.37 0.00 0.00 175.52 174.94 1xob h ALA 67 N 1.88 -1.15 -0.73 6.16 0.00 -1.05 -2.68 119.26 121.68 1xob h ALA 67 Ca -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xob h ALA 67 Cb 0.32 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1xob h ALA 67 CO 0.02 -1.11 0.48 -1.00 0.00 0.00 0.00 179.25 177.63 1xob h PRO 68 N -0.73 0.94 -0.82 0.00 0.13 -1.73 -0.16 132.00 129.62 1xob h PRO 68 Ca -0.07 -0.06 0.23 0.00 -0.87 0.00 0.00 66.00 65.23 1xob h PRO 68 Cb 0.58 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 31.46 1xob h PRO 68 CO 0.09 0.62 0.58 0.87 -0.23 0.00 0.00 178.00 179.93 1xob h LYS 69 N 0.97 0.09 -0.02 0.86 1.57 -1.47 0.23 116.57 118.78 1xob h LYS 69 Ca 0.27 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1xob h LYS 69 Cb -0.08 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1xob h LYS 69 CO -0.06 0.06 -0.10 0.66 -0.57 0.00 0.00 179.45 179.43 1xob n TYR 70 N -4.34 0.08 -4.21 -1.35 4.01 -0.74 -5.00 117.16 105.61 1xob n TYR 70 Ca 0.17 -1.11 -0.34 0.00 -0.16 0.00 0.00 57.90 56.46 1xob n TYR 70 Cb 0.83 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.64 1xob n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xob n GLY 71 N -1.31 -0.38 3.63 2.72 0.00 0.07 -4.81 105.19 105.10 1xob n GLY 71 Ca 0.17 0.13 -0.54 0.00 0.00 0.00 0.00 46.02 45.79 1xob n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xob n ILE 72 N -4.38 0.34 0.11 -0.61 -0.00 -0.24 -4.85 119.36 109.73 1xob n ILE 72 Ca -0.02 -0.12 -0.19 0.00 -0.00 0.00 0.00 62.75 62.42 1xob n ILE 72 Cb 0.54 -1.46 -0.13 0.00 -0.00 0.00 0.00 39.64 38.58 1xob n ILE 72 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1xob h ARG 73 N 9.02 0.40 0.00 0.38 -0.00 -1.91 -3.46 114.38 118.80 1xob h ARG 73 Ca -0.41 -0.62 0.09 0.00 -0.50 0.00 0.00 59.98 58.53 1xob h ARG 73 Cb 1.31 0.22 -0.02 0.00 0.00 0.00 0.00 29.97 31.49 1xob h ARG 73 CO 0.98 1.28 0.29 0.41 0.00 0.00 0.00 179.97 182.93 1xob n GLY 74 N 1.50 0.86 3.00 0.04 0.00 -1.26 -5.17 105.19 104.16 1xob n GLY 74 Ca -0.11 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 1xob n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xob s ILE 75 N -2.29 0.13 0.56 -0.61 -4.36 -1.26 -4.20 121.20 109.16 1xob s ILE 75 Ca 0.11 -1.05 -0.19 0.00 -0.26 0.00 0.00 60.65 59.25 1xob s ILE 75 Cb -0.01 -0.47 -0.05 0.00 1.25 0.00 0.00 42.46 43.18 1xob s ILE 75 CO 0.02 -0.58 1.17 -2.16 0.24 0.00 0.00 174.94 173.63 1xob s PRO 76 N -1.85 3.23 0.03 0.37 0.04 -1.26 -4.77 135.00 130.78 1xob s PRO 76 Ca -0.12 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1xob s PRO 76 Cb -0.07 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1xob s PRO 76 CO -0.02 -0.97 -0.09 0.99 0.04 0.00 0.00 177.00 176.94 1xob s THR 77 N -1.67 0.68 -0.08 1.26 2.01 -0.75 -0.05 115.64 117.05 1xob s THR 77 Ca 0.74 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1xob s THR 77 Cb -0.27 -0.65 -0.00 0.00 0.01 0.00 0.00 72.50 71.58 1xob s THR 77 CO 0.30 -0.10 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.16 1xob s LEU 78 N -0.96 2.01 -0.21 4.42 1.43 0.22 -0.06 118.68 125.52 1xob s LEU 78 Ca -0.02 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1xob s LEU 78 Cb -0.07 -1.28 0.02 0.00 0.03 0.00 0.00 46.19 44.90 1xob s LEU 78 CO 0.00 0.16 -0.15 -0.76 0.23 0.00 0.00 176.35 175.84 1xob s LEU 79 N 0.23 2.60 -0.68 1.79 2.01 0.33 -0.55 118.68 124.41 1xob s LEU 79 Ca -0.13 -0.79 -0.19 0.00 0.01 0.00 0.00 54.13 53.03 1xob s LEU 79 Cb -0.16 -1.55 0.12 0.00 0.01 0.00 0.00 46.19 44.61 1xob s LEU 79 CO 0.06 -0.06 0.81 -0.22 1.01 0.00 0.00 176.35 177.96 1xob s LEU 80 N 1.28 5.38 -0.50 1.79 2.96 -0.00 -0.44 118.68 129.15 1xob s LEU 80 Ca 0.02 -1.62 -0.22 0.00 -0.22 0.00 0.00 54.13 52.09 1xob s LEU 80 Cb -0.15 -2.32 0.04 0.00 0.50 0.00 0.00 46.19 44.26 1xob s LEU 80 CO -0.09 -1.08 0.78 -0.36 -1.32 0.00 0.00 176.35 174.27 1xob s PHE 81 N 2.56 2.94 -0.44 5.38 0.08 0.68 -0.28 117.98 128.90 1xob s PHE 81 Ca 0.17 -0.13 -0.18 0.00 0.12 0.00 0.00 56.93 56.91 1xob s PHE 81 Cb -0.19 -3.74 0.03 0.00 -0.57 0.00 0.00 43.02 38.56 1xob s PHE 81 CO 0.02 -1.12 0.48 0.15 -0.10 0.00 0.00 175.22 174.66 1xob s LYS 82 N 3.28 3.11 -1.47 0.44 1.02 0.67 -0.39 119.74 126.41 1xob s LYS 82 Ca 0.25 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.42 1xob s LYS 82 Cb -0.15 -4.00 0.03 0.00 -0.52 0.00 0.00 37.83 33.20 1xob s LYS 82 CO 0.18 -0.93 0.50 0.09 -0.92 0.00 0.00 175.35 174.26 1xob n ASN 83 N 5.72 -0.98 0.00 2.83 4.13 -0.01 -0.99 115.26 125.95 1xob n ASN 83 Ca -0.07 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.19 1xob n ASN 83 Cb 0.47 -3.01 0.00 0.00 -1.54 0.00 0.00 39.78 35.69 1xob n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xob n GLY 84 N -1.88 2.87 3.72 7.41 0.00 -1.17 -4.69 105.19 111.45 1xob n GLY 84 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1xob n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xob s GLU 85 N -0.30 4.27 -0.35 1.61 8.01 -0.17 -4.82 118.70 126.96 1xob s GLU 85 Ca 0.00 0.18 -0.28 0.00 0.01 0.00 0.00 54.97 54.88 1xob s GLU 85 Cb 0.00 -3.44 -0.01 0.00 -4.31 0.00 0.00 34.13 26.37 1xob s GLU 85 CO 0.00 0.20 1.75 0.08 0.01 0.00 0.00 175.26 177.30 1xob s VAL 86 N 0.57 3.53 0.05 2.63 1.01 -1.26 -0.24 120.40 126.69 1xob s VAL 86 Ca 0.19 0.53 -0.14 0.00 0.00 0.00 0.00 61.98 62.57 1xob s VAL 86 Cb -0.14 -3.73 -0.32 0.00 0.00 0.00 0.00 36.38 32.19 1xob s VAL 86 CO 0.06 -0.48 1.07 0.00 0.00 0.00 0.00 175.10 175.74 1xob h ALA 87 N 12.63 -0.06 -2.92 5.51 0.00 -0.99 -3.48 119.26 129.97 1xob h ALA 87 Ca -0.33 -0.83 0.08 0.00 0.00 0.00 0.00 54.91 53.83 1xob h ALA 87 Cb 1.16 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1xob h ALA 87 CO 1.05 0.73 0.27 0.00 0.00 0.00 0.00 179.25 181.30 1xob s ALA 88 N -2.77 -1.23 0.07 0.00 0.00 -1.23 -5.04 121.76 111.56 1xob s ALA 88 Ca -0.08 -0.30 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 1xob s ALA 88 Cb 0.05 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 1xob s ALA 88 CO 0.93 -1.04 0.16 -0.08 0.00 0.00 0.00 175.76 175.74 1xob s THR 89 N -3.69 0.15 0.02 0.00 -1.32 -1.26 -0.82 115.64 108.72 1xob s THR 89 Ca 0.12 -1.21 0.01 0.00 -1.21 0.00 0.00 61.69 59.40 1xob s THR 89 Cb -0.05 -1.28 -0.01 0.00 -1.51 0.00 0.00 72.50 69.64 1xob s THR 89 CO 0.07 -0.67 -0.04 -0.75 -2.21 0.00 0.00 174.62 171.02 1xob s LYS 90 N -3.63 0.31 -0.04 7.08 2.47 0.29 -4.98 119.74 121.24 1xob s LYS 90 Ca 0.03 -0.46 0.03 0.00 -1.56 0.00 0.00 55.97 54.01 1xob s LYS 90 Cb 0.04 -0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.34 1xob s LYS 90 CO -0.10 0.01 -0.13 0.08 0.16 0.00 0.00 175.35 175.37 1xob s VAL 91 N -0.96 1.09 0.00 4.02 1.01 -1.26 -0.61 120.40 123.69 1xob s VAL 91 Ca -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1xob s VAL 91 Cb -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1xob s VAL 91 CO -0.00 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1xob n GLY 92 N 3.34 -1.26 3.74 4.51 0.00 0.93 -4.97 105.19 111.50 1xob n GLY 92 Ca -0.19 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 1xob n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xob s ALA 93 N -1.54 1.54 0.23 4.61 0.00 -1.26 -4.75 121.76 120.59 1xob s ALA 93 Ca 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 51.96 51.42 1xob s ALA 93 Cb 0.00 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 20.06 1xob s ALA 93 CO 0.00 -2.38 0.66 -0.48 0.00 0.00 0.00 175.76 173.56 1xob s LEU 94 N -6.16 -0.35 0.67 0.00 2.34 -1.26 -5.13 118.68 108.79 1xob s LEU 94 Ca 0.64 -0.37 -0.10 0.00 0.06 0.00 0.00 54.13 54.35 1xob s LEU 94 Cb -0.17 2.63 0.01 0.00 -0.56 0.00 0.00 46.19 48.10 1xob s LEU 94 CO 0.56 -1.18 1.05 -0.94 -1.06 0.00 0.00 176.35 174.78 1xob s SER 95 N -2.85 5.58 0.24 1.48 1.04 -1.26 -4.88 113.70 113.05 1xob s SER 95 Ca 0.07 1.10 -0.06 0.00 0.48 0.00 0.00 55.95 57.53 1xob s SER 95 Cb -0.04 -1.97 0.28 0.00 0.10 0.00 0.00 66.02 64.40 1xob s SER 95 CO -0.01 -1.22 1.88 0.50 0.98 0.00 0.00 173.24 175.37 1xob h LYS 96 N -0.52 1.07 0.34 4.02 3.64 -1.99 0.04 116.57 123.17 1xob h LYS 96 Ca -0.45 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1xob h LYS 96 Cb 1.25 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 1xob h LYS 96 CO 0.63 0.71 -0.31 0.78 -2.27 0.00 0.00 179.45 178.99 1xob h GLY 97 N 1.11 -0.72 0.72 5.01 0.00 -1.99 0.16 103.07 107.36 1xob h GLY 97 Ca 0.36 0.35 0.05 0.00 0.00 0.00 0.00 47.33 48.08 1xob h GLY 97 CO -0.12 -0.27 0.33 1.46 0.00 0.00 0.00 176.54 177.93 1xob h GLN 98 N -0.66 0.60 0.11 4.80 7.50 -1.85 -0.47 115.11 125.14 1xob h GLN 98 Ca -0.02 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 1xob h GLN 98 Cb 0.59 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.99 1xob h GLN 98 CO -0.04 0.40 -0.05 1.25 -1.50 0.00 0.00 178.83 178.88 1xob h LEU 99 N 0.62 -0.13 -0.38 1.46 5.85 -0.69 0.50 115.31 122.54 1xob h LEU 99 Ca 0.26 0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.06 1xob h LEU 99 Cb 0.14 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 1xob h LEU 99 CO -0.16 -0.09 -0.11 0.11 -0.34 0.00 0.00 178.44 177.85 1xob h LYS 100 N -0.16 -0.02 0.14 1.25 1.79 -0.27 0.69 116.57 119.99 1xob h LYS 100 Ca -0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1xob h LYS 100 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1xob h LYS 100 CO 0.03 -0.01 -0.07 0.93 -1.08 0.00 0.00 179.45 179.24 1xob h GLU 101 N -0.02 -0.18 -0.17 3.15 4.39 -0.86 0.74 114.58 121.64 1xob h GLU 101 Ca 0.18 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.95 1xob h GLU 101 Cb 0.30 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 1xob h GLU 101 CO -0.40 -0.12 -0.25 0.35 -1.16 0.00 0.00 179.01 177.42 1xob h PHE 102 N -0.19 -0.68 0.32 4.33 3.57 -0.37 0.85 116.94 124.78 1xob h PHE 102 Ca -0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1xob h PHE 102 Cb 0.14 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1xob h PHE 102 CO -0.07 -0.33 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.45 1xob h LEU 103 N -0.30 -0.37 -0.29 0.59 3.38 -0.76 -2.28 115.31 115.28 1xob h LEU 103 Ca 0.11 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.15 1xob h LEU 103 Cb 0.47 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1xob h LEU 103 CO -0.34 -0.26 -0.15 -0.78 0.09 0.00 0.00 178.44 177.00 1xob h ASP 104 N -0.45 -0.50 -0.88 -0.43 3.58 -0.55 0.14 116.42 117.33 1xob h ASP 104 Ca -0.04 0.12 0.11 0.00 0.42 0.00 0.00 57.03 57.64 1xob h ASP 104 Cb 0.34 0.27 -0.07 0.00 1.72 0.00 0.00 39.33 41.60 1xob h ASP 104 CO 0.07 -0.18 0.57 0.00 -2.88 0.00 0.00 179.24 176.82 1xob h ALA 105 N 1.11 1.71 0.10 -0.78 0.00 -0.74 0.97 119.26 121.62 1xob h ALA 105 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1xob h ALA 105 Cb 0.34 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xob h ALA 105 CO -0.36 0.09 -0.81 -0.91 0.00 0.00 0.00 179.25 177.26 1xob h ASN 106 N 0.81 0.54 -0.28 0.00 2.35 -0.67 -3.30 115.58 115.03 1xob h ASN 106 Ca 0.42 -0.88 0.01 0.00 -0.55 0.00 0.00 56.30 55.30 1xob h ASN 106 Cb 0.52 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1xob h ASN 106 CO -0.19 1.37 0.18 -0.07 -1.65 0.00 0.00 177.43 177.07 1xob h LEU 107 N -0.21 0.30 0.00 1.61 3.38 -0.40 -3.52 115.31 116.48 1xob h LEU 107 Ca -0.13 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1xob h LEU 107 Cb 1.58 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1xob h LEU 107 CO 0.15 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.90