#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aur n THR 2 N 0.00 2.41 -3.55 3.17 5.66 -1.26 -4.94 114.28 115.77 1aur n THR 2 Ca 0.00 -0.50 -0.28 0.00 -3.05 0.00 0.00 64.05 60.22 1aur n THR 2 Cb 0.00 -0.89 -0.03 0.00 -1.55 0.00 0.00 70.33 67.86 1aur n THR 2 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1aur s GLU 3 N -2.01 3.56 0.82 1.09 8.01 -1.26 -4.67 118.70 124.24 1aur s GLU 3 Ca 0.66 -0.21 -0.14 0.00 0.01 0.00 0.00 54.97 55.29 1aur s GLU 3 Cb -0.53 -2.76 0.03 0.00 -4.31 0.00 0.00 34.13 26.56 1aur s GLU 3 CO 0.55 0.32 0.72 -2.30 0.01 0.00 0.00 175.26 174.57 1aur n PRO 4 N -0.80 0.07 -3.30 0.39 -0.02 -1.26 -4.71 135.00 125.37 1aur n PRO 4 Ca -0.04 0.08 -0.43 0.00 -2.02 0.00 0.00 63.50 61.10 1aur n PRO 4 Cb 0.54 -2.05 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 1aur n PRO 4 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1aur s LEU 5 N -2.36 4.75 -0.40 2.45 0.20 -0.28 -4.92 118.68 118.11 1aur s LEU 5 Ca 0.66 -0.56 -0.15 0.00 0.69 0.00 0.00 54.13 54.77 1aur s LEU 5 Cb -0.29 -2.44 0.02 0.00 -0.43 0.00 0.00 46.19 43.06 1aur s LEU 5 CO 0.58 -0.58 0.29 -0.63 -0.29 0.00 0.00 176.35 175.73 1aur s ILE 6 N 2.22 5.19 -0.26 6.68 1.09 -1.26 -0.62 121.20 134.24 1aur s ILE 6 Ca 0.14 -0.67 -0.19 0.00 -1.10 0.00 0.00 60.65 58.83 1aur s ILE 6 Cb -0.17 -3.89 -0.02 0.00 -1.06 0.00 0.00 42.46 37.33 1aur s ILE 6 CO 0.14 -0.30 0.55 -0.76 -0.10 0.00 0.00 174.94 174.48 1aur s LEU 7 N 1.67 4.07 0.14 2.97 1.43 -0.06 -5.00 118.68 123.89 1aur s LEU 7 Ca 0.05 0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 53.55 1aur s LEU 7 Cb -0.19 -2.72 -0.07 0.00 0.03 0.00 0.00 46.19 43.24 1aur s LEU 7 CO 0.10 -0.32 0.56 -1.10 0.23 0.00 0.00 176.35 175.81 1aur s GLN 8 N 2.38 4.03 1.09 1.70 -1.52 -1.26 -1.92 119.66 124.16 1aur s GLN 8 Ca 0.23 0.56 -0.18 0.00 -1.95 0.00 0.00 55.36 54.01 1aur s GLN 8 Cb -0.16 -2.98 0.25 0.00 -0.22 0.00 0.00 33.01 29.91 1aur s GLN 8 CO 0.09 0.50 1.25 -1.25 -0.25 0.00 0.00 175.29 175.63 1aur s PRO 9 N -1.81 -0.38 0.27 2.91 0.04 -1.26 -4.98 135.00 129.79 1aur s PRO 9 Ca 0.36 -0.35 0.14 0.00 0.04 0.00 0.00 61.00 61.19 1aur s PRO 9 Cb -0.16 -1.72 0.15 0.00 0.04 0.00 0.00 34.50 32.81 1aur s PRO 9 CO 0.19 -3.10 1.48 0.00 0.04 0.00 0.00 177.00 175.60 1aur h ALA 10 N -2.14 0.68 -2.18 8.56 0.00 -1.68 -3.46 119.26 119.04 1aur h ALA 10 Ca -0.44 -0.52 -0.58 0.00 0.00 0.00 0.00 54.91 53.36 1aur h ALA 10 Cb 1.25 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 1aur h ALA 10 CO 0.32 0.72 -0.70 0.15 0.00 0.00 0.00 179.25 179.75 1aur s LYS 11 N -3.06 1.99 -0.45 0.00 1.02 0.11 -5.02 119.74 114.33 1aur s LYS 11 Ca 0.02 -1.61 -0.45 0.00 0.02 0.00 0.00 55.97 53.96 1aur s LYS 11 Cb 0.09 -1.96 -0.19 0.00 -0.52 0.00 0.00 37.83 35.26 1aur s LYS 11 CO 0.75 0.33 1.72 -2.30 -0.92 0.00 0.00 175.35 174.93 1aur n PRO 12 N -0.77 0.30 -1.67 -1.68 -0.01 -1.26 -4.55 135.00 125.36 1aur n PRO 12 Ca -0.06 0.11 -0.45 0.00 -0.01 0.00 0.00 63.50 63.09 1aur n PRO 12 Cb 0.60 -1.67 -0.03 0.00 -0.01 0.00 0.00 33.50 32.38 1aur n PRO 12 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1aur n ALA 13 N 4.96 1.33 -0.54 3.55 0.00 -1.26 -4.79 120.51 123.75 1aur n ALA 13 Ca 0.33 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1aur n ALA 13 Cb -0.01 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.12 1aur n ALA 13 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1aur n ASP 14 N 2.87 0.84 -4.10 0.00 5.68 -0.60 -4.94 116.55 116.30 1aur n ASP 14 Ca 0.14 -1.37 -0.10 0.00 -0.50 0.00 0.00 54.79 52.96 1aur n ASP 14 Cb 0.30 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.19 1aur n ASP 14 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aur s ALA 15 N -0.37 0.64 -0.15 2.12 0.00 -1.18 -4.65 121.76 118.16 1aur s ALA 15 Ca 0.00 -1.34 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 1aur s ALA 15 Cb 0.00 1.02 0.06 0.00 0.00 0.00 0.00 23.12 24.19 1aur s ALA 15 CO 0.00 -0.58 0.35 0.00 0.00 0.00 0.00 175.76 175.53 1aur s VAL 17 N 1.57 3.25 -0.34 0.00 1.01 0.35 0.38 120.40 126.62 1aur s VAL 17 Ca -0.08 -1.11 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 1aur s VAL 17 Cb -0.10 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 1aur s VAL 17 CO -0.11 0.01 0.61 -0.63 0.00 0.00 0.00 175.10 174.98 1aur s ILE 18 N 1.34 4.92 -0.19 2.22 1.01 -0.62 -1.77 121.20 128.13 1aur s ILE 18 Ca -0.02 0.60 -0.02 0.00 0.00 0.00 0.00 60.65 61.21 1aur s ILE 18 Cb -0.18 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 1aur s ILE 18 CO -0.01 -0.26 -0.08 0.86 0.00 0.00 0.00 174.94 175.45 1aur s TRP 19 N 2.63 2.90 -0.15 3.97 -0.11 -1.04 -0.26 118.94 126.88 1aur s TRP 19 Ca 0.23 -0.88 -0.05 0.00 1.22 0.00 0.00 56.10 56.63 1aur s TRP 19 Cb -0.15 -2.00 -0.04 0.00 -1.50 0.00 0.00 33.47 29.79 1aur s TRP 19 CO 0.14 -0.44 0.02 -0.51 -4.62 0.00 0.00 176.95 171.54 1aur s LEU 20 N 1.05 3.62 1.05 5.86 1.02 -0.09 -3.87 118.68 127.33 1aur s LEU 20 Ca 0.00 0.06 -0.18 0.00 0.02 0.00 0.00 54.13 54.03 1aur s LEU 20 Cb -0.15 -1.88 0.24 0.00 0.02 0.00 0.00 46.19 44.42 1aur s LEU 20 CO -0.01 0.23 1.29 -1.38 0.02 0.00 0.00 176.35 176.51 1aur s HIS 21 N -0.00 1.06 0.75 0.29 -3.43 -1.26 -2.24 115.29 110.45 1aur s HIS 21 Ca 0.04 0.27 -0.03 0.00 -0.80 0.00 0.00 55.06 54.55 1aur s HIS 21 Cb -0.13 -4.06 0.13 0.00 -1.43 0.00 0.00 32.58 27.10 1aur s HIS 21 CO 0.02 -3.12 1.03 0.20 -2.00 0.00 0.00 174.74 170.87 1aur s GLY 22 N -4.72 1.76 -0.02 -1.38 0.00 -1.23 -3.05 107.32 98.69 1aur s GLY 22 Ca 0.75 -1.66 -0.36 0.00 0.00 0.00 0.00 44.72 43.46 1aur s GLY 22 CO 0.54 -1.07 1.65 -0.10 0.00 0.00 0.00 173.10 174.12 1aur n LEU 23 N -2.94 2.72 0.00 0.66 7.94 -1.26 -2.59 117.00 121.53 1aur n LEU 23 Ca 0.15 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 1aur n LEU 23 Cb 0.60 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.26 1aur n LEU 23 CO 0.43 -0.42 0.00 0.61 -1.11 0.00 0.00 177.39 176.90 1aur n GLY 24 N 3.66 1.54 4.00 -3.96 0.00 -0.28 -5.00 105.19 105.16 1aur n GLY 24 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1aur n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aur s ALA 25 N -2.35 3.82 0.42 4.61 0.00 -1.07 -4.57 121.76 122.62 1aur s ALA 25 Ca 0.00 -1.90 0.02 0.00 0.00 0.00 0.00 51.96 50.09 1aur s ALA 25 Cb 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 1aur s ALA 25 CO 0.00 -1.53 0.09 -0.40 0.00 0.00 0.00 175.76 173.92 1aur n ASP 26 N -2.85 1.96 0.00 0.00 5.68 -1.26 -4.57 116.55 115.51 1aur n ASP 26 Ca 0.17 -3.05 0.07 0.00 -0.50 0.00 0.00 54.79 51.47 1aur n ASP 26 Cb 0.61 0.74 0.40 0.00 -1.14 0.00 0.00 41.12 41.73 1aur n ASP 26 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1aur n ARG 27 N -0.98 0.32 0.00 0.11 1.85 -1.26 -1.71 116.66 114.99 1aur n ARG 27 Ca -0.11 0.08 0.12 0.00 -1.00 0.00 0.00 57.85 56.95 1aur n ARG 27 Cb 0.58 -1.50 0.15 0.00 -1.05 0.00 0.00 32.46 30.64 1aur n ARG 27 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1aur n TYR 28 N -1.16 0.00 -0.33 2.89 4.02 -1.26 -4.40 117.16 116.92 1aur n TYR 28 Ca 0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.97 1aur n TYR 28 Cb 0.09 -0.04 0.12 0.00 -0.02 0.00 0.00 39.34 39.48 1aur n TYR 28 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1aur h ASP 29 N 2.02 0.95 -0.02 7.72 3.58 -1.74 -3.03 116.42 125.91 1aur h ASP 29 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1aur h ASP 29 Cb 0.66 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1aur h ASP 29 CO 0.00 0.65 -0.00 0.49 -2.88 0.00 0.00 179.24 177.50 1aur n PHE 30 N -4.53 0.00 -0.26 0.28 3.72 -1.26 -4.53 117.46 110.88 1aur n PHE 30 Ca 0.12 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.58 1aur n PHE 30 Cb 0.10 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 38.83 1aur n PHE 30 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1aur h MET 31 N 2.48 0.15 -0.86 -1.08 1.85 -1.74 0.40 114.93 116.13 1aur h MET 31 Ca 0.00 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.12 1aur h MET 31 Cb 0.53 -0.03 -0.05 0.00 0.43 0.00 0.00 31.60 32.48 1aur h MET 31 CO 0.00 0.10 0.57 -1.35 -0.40 0.00 0.00 176.91 175.82 1aur h PRO 32 N 0.15 1.04 -0.10 0.39 0.11 -1.80 -0.96 132.00 130.84 1aur h PRO 32 Ca 0.43 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.43 1aur h PRO 32 Cb 0.78 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 1aur h PRO 32 CO -0.63 0.68 -0.16 0.28 -0.21 0.00 0.00 178.00 177.96 1aur h VAL 33 N 1.07 1.39 -0.73 3.15 2.07 -0.64 -2.07 116.25 120.48 1aur h VAL 33 Ca 0.34 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1aur h VAL 33 Cb 0.03 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1aur h VAL 33 CO -0.10 0.40 0.46 0.00 0.02 0.00 0.00 177.57 178.35 1aur h ALA 34 N 0.53 1.43 -0.29 1.67 0.00 -0.34 -0.86 119.26 121.40 1aur h ALA 34 Ca 0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1aur h ALA 34 Cb 0.73 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1aur h ALA 34 CO 0.04 0.50 -0.35 0.93 0.00 0.00 0.00 179.25 180.37 1aur h GLU 35 N 1.00 0.65 -0.80 0.00 5.08 -1.20 -1.03 114.58 118.28 1aur h GLU 35 Ca 0.27 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1aur h GLU 35 Cb -0.07 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1aur h GLU 35 CO -0.05 0.91 0.49 0.00 -1.00 0.00 0.00 179.01 179.35 1aur h ALA 36 N 1.06 1.03 -0.07 3.43 0.00 -0.46 -3.07 119.26 121.17 1aur h ALA 36 Ca 0.06 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1aur h ALA 36 Cb 0.86 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1aur h ALA 36 CO 0.07 0.49 -0.69 -0.07 0.00 0.00 0.00 179.25 179.06 1aur h LEU 37 N 1.10 0.39 -1.50 0.00 3.38 -0.58 -2.91 115.31 115.19 1aur h LEU 37 Ca 0.29 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1aur h LEU 37 Cb -0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1aur h LEU 37 CO -0.05 0.96 -0.19 1.56 0.09 0.00 0.00 178.44 180.80 1aur h GLN 38 N 0.23 0.00 0.00 1.13 4.20 -1.12 0.68 115.11 120.23 1aur h GLN 38 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1aur h GLN 38 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1aur h GLN 38 CO 0.11 0.19 0.00 0.39 -0.67 0.00 0.00 178.83 178.86 1aur n GLU 39 N -3.55 0.01 -0.04 1.46 -0.58 -1.10 -3.29 120.64 113.55 1aur n GLU 39 Ca -0.01 0.34 -0.08 0.00 -0.42 0.00 0.00 57.16 56.99 1aur n GLU 39 Cb 0.34 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.68 1aur n GLU 39 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1aur n SER 40 N -1.48 1.36 -4.39 1.62 7.64 0.20 -4.88 113.62 113.70 1aur n SER 40 Ca 0.02 0.06 -0.44 0.00 1.01 0.00 0.00 58.87 59.52 1aur n SER 40 Cb 0.10 -0.20 -0.05 0.00 -1.01 0.00 0.00 64.21 63.05 1aur n SER 40 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1aur s LEU 41 N -6.15 5.28 0.00 -3.43 1.43 0.72 -4.93 118.68 111.60 1aur s LEU 41 Ca -0.11 -1.34 0.26 0.00 -1.03 0.00 0.00 54.13 51.91 1aur s LEU 41 Cb 0.04 -2.33 0.60 0.00 0.03 0.00 0.00 46.19 44.53 1aur s LEU 41 CO 0.15 -1.10 1.48 0.18 0.23 0.00 0.00 176.35 177.29 1aur n LEU 42 N 6.39 0.44 -0.06 1.79 4.77 -1.26 -3.49 117.00 125.59 1aur n LEU 42 Ca -0.09 0.06 0.05 0.00 -0.03 0.00 0.00 56.01 56.00 1aur n LEU 42 Cb 0.43 -0.28 0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1aur n LEU 42 CO 0.58 0.11 0.51 0.35 -1.33 0.00 0.00 177.39 177.61 1aur n THR 43 N -1.49 1.30 -3.98 -5.08 -2.24 -1.26 0.07 114.28 101.61 1aur n THR 43 Ca 0.06 -1.48 -0.35 0.00 -2.27 0.00 0.00 64.05 60.01 1aur n THR 43 Cb 0.34 0.18 -0.14 0.00 -2.10 0.00 0.00 70.33 68.61 1aur n THR 43 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1aur s THR 44 N -1.76 3.19 0.01 4.28 2.01 -1.23 -1.55 115.64 120.60 1aur s THR 44 Ca 0.15 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 1aur s THR 44 Cb 0.13 -2.44 -0.06 0.00 0.01 0.00 0.00 72.50 70.14 1aur s THR 44 CO 0.01 0.44 0.45 -0.60 -0.69 0.00 0.00 174.62 174.23 1aur s ARG 45 N 1.39 4.00 -0.26 4.92 3.52 -0.88 -4.20 118.95 127.44 1aur s ARG 45 Ca 0.05 0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 56.10 1aur s ARG 45 Cb -0.14 -3.24 0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1aur s ARG 45 CO -0.04 0.65 -0.02 -0.06 -0.81 0.00 0.00 175.30 175.02 1aur s PHE 46 N -0.99 3.08 -0.30 5.12 0.40 -0.81 -0.50 117.98 123.99 1aur s PHE 46 Ca 0.25 -1.33 -0.06 0.00 -0.60 0.00 0.00 56.93 55.19 1aur s PHE 46 Cb -0.17 -2.12 0.02 0.00 0.51 0.00 0.00 43.02 41.25 1aur s PHE 46 CO 0.14 -0.67 0.06 0.14 0.70 0.00 0.00 175.22 175.60 1aur s VAL 47 N 1.39 3.77 -0.54 -0.44 -7.23 -0.73 -0.88 120.40 115.75 1aur s VAL 47 Ca 0.01 -0.83 -0.11 0.00 -1.81 0.00 0.00 61.98 59.25 1aur s VAL 47 Cb -0.17 -2.98 0.14 0.00 0.56 0.00 0.00 36.38 33.93 1aur s VAL 47 CO -0.02 0.04 0.44 -0.76 -0.31 0.00 0.00 175.10 174.49 1aur s LEU 48 N 1.45 5.91 1.02 1.32 1.43 0.21 -2.50 118.68 127.53 1aur s LEU 48 Ca 0.01 -2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 50.93 1aur s LEU 48 Cb -0.18 -2.07 0.20 0.00 0.03 0.00 0.00 46.19 44.17 1aur s LEU 48 CO 0.02 -0.70 1.10 -2.16 0.23 0.00 0.00 176.35 174.84 1aur s PRO 49 N 1.17 0.25 -0.08 1.29 0.04 -1.25 -1.13 135.00 135.28 1aur s PRO 49 Ca 0.07 0.39 0.04 0.00 0.04 0.00 0.00 61.00 61.55 1aur s PRO 49 Cb -0.25 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1aur s PRO 49 CO -0.01 -2.83 -0.20 -1.14 0.04 0.00 0.00 177.00 172.86 1aur s GLN 50 N -5.06 2.45 0.30 4.56 0.74 -1.26 -4.41 119.66 116.98 1aur s GLN 50 Ca 0.66 -0.72 -0.30 0.00 0.05 0.00 0.00 55.36 55.05 1aur s GLN 50 Cb -0.17 -1.94 -0.12 0.00 1.10 0.00 0.00 33.01 31.88 1aur s GLN 50 CO 0.57 0.17 1.53 0.00 -0.55 0.00 0.00 175.29 177.01 1aur n ALA 51 N 3.48 2.21 -1.14 1.58 0.00 -1.26 -4.90 120.51 120.48 1aur n ALA 51 Ca -0.20 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.30 1aur n ALA 51 Cb 0.53 -2.41 0.11 0.00 0.00 0.00 0.00 19.45 17.67 1aur n ALA 51 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1aur s PRO 52 N -0.84 1.97 -0.36 0.00 0.04 -1.26 -4.11 135.00 130.43 1aur s PRO 52 Ca 0.62 1.35 -0.22 0.00 0.04 0.00 0.00 61.00 62.79 1aur s PRO 52 Cb -0.52 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.17 1aur s PRO 52 CO 0.52 -1.89 0.70 0.99 0.04 0.00 0.00 177.00 177.36 1aur s THR 53 N -2.70 4.83 0.09 1.26 2.01 -1.26 -1.69 115.64 118.17 1aur s THR 53 Ca 0.64 0.71 0.03 0.00 0.31 0.00 0.00 61.69 63.38 1aur s THR 53 Cb -0.20 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 1aur s THR 53 CO 0.54 -0.36 -0.09 -0.13 -0.69 0.00 0.00 174.62 173.89 1aur s ARG 54 N 2.87 0.80 0.12 4.92 0.52 -0.98 -4.90 118.95 122.30 1aur s ARG 54 Ca 0.27 -1.13 -0.35 0.00 -0.52 0.00 0.00 55.73 54.00 1aur s ARG 54 Cb -0.14 -0.45 -0.17 0.00 0.52 0.00 0.00 34.95 34.71 1aur s ARG 54 CO 0.16 0.06 1.13 -2.30 0.02 0.00 0.00 175.30 174.37 1aur n PRO 55 N 0.59 0.84 -3.95 3.54 -0.02 -1.26 -2.08 135.00 132.67 1aur n PRO 55 Ca -0.16 0.30 -0.35 0.00 -2.02 0.00 0.00 63.50 61.27 1aur n PRO 55 Cb 0.58 -1.79 -0.14 0.00 -0.02 0.00 0.00 33.50 32.12 1aur n PRO 55 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1aur s VAL 56 N -0.07 3.04 0.09 -1.45 1.01 -0.80 -4.81 120.40 117.41 1aur s VAL 56 Ca 0.78 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 1aur s VAL 56 Cb -0.96 -2.45 -0.14 0.00 0.00 0.00 0.00 36.38 32.82 1aur s VAL 56 CO 0.52 0.32 1.71 0.74 0.00 0.00 0.00 175.10 178.40 1aur h THR 57 N 5.93 0.85 0.00 3.92 2.02 -1.89 0.53 112.91 124.27 1aur h THR 57 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1aur h THR 57 Cb 1.13 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1aur h THR 57 CO 0.60 0.00 0.00 2.30 0.37 0.00 0.00 175.52 178.79 1aur n ILE 58 N -5.18 1.12 -0.37 3.11 -5.35 -0.79 -0.99 119.36 110.92 1aur n ILE 58 Ca -0.08 0.28 0.08 0.00 -0.27 0.00 0.00 62.75 62.77 1aur n ILE 58 Cb 0.10 -1.07 0.24 0.00 -1.74 0.00 0.00 39.64 37.17 1aur n ILE 58 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1aur n ASN 59 N -1.48 3.57 0.00 7.28 3.02 -1.00 -4.95 115.26 121.70 1aur n ASN 59 Ca 0.03 -2.15 0.00 0.00 -0.03 0.00 0.00 54.58 52.43 1aur n ASN 59 Cb 0.14 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 1aur n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aur n GLY 60 N 0.84 1.14 3.18 7.41 0.00 -0.16 -3.69 105.19 113.91 1aur n GLY 60 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1aur n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aur n GLY 61 N -1.67 0.41 3.63 -0.02 0.00 0.18 -4.97 105.19 102.75 1aur n GLY 61 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 1aur n GLY 61 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1aur n TYR 62 N -2.16 1.84 -3.09 1.61 4.19 -1.24 -4.28 117.16 114.03 1aur n TYR 62 Ca 0.00 0.48 -0.39 0.00 3.31 0.00 0.00 57.90 61.30 1aur n TYR 62 Cb 0.09 -2.42 -0.05 0.00 0.49 0.00 0.00 39.34 37.45 1aur n TYR 62 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1aur s GLU 63 N 0.55 4.42 0.20 2.98 2.02 -1.26 -1.90 118.70 125.69 1aur s GLU 63 Ca 0.80 0.84 -0.22 0.00 0.02 0.00 0.00 54.97 56.42 1aur s GLU 63 Cb -0.82 -3.42 0.05 0.00 0.10 0.00 0.00 34.13 30.05 1aur s GLU 63 CO 0.44 0.16 0.62 0.00 0.02 0.00 0.00 175.26 176.50 1aur s MET 64 N 0.49 1.43 0.17 1.61 0.23 -0.88 -4.93 119.30 117.41 1aur s MET 64 Ca 0.36 -0.65 -0.32 0.00 -1.03 0.00 0.00 55.69 54.05 1aur s MET 64 Cb -0.18 0.59 -0.11 0.00 -1.53 0.00 0.00 34.83 33.60 1aur s MET 64 CO 0.18 -0.63 1.78 -2.14 -2.03 0.00 0.00 175.02 172.18 1aur s PRO 65 N -3.81 4.13 -0.25 3.16 0.02 -1.26 -2.32 135.00 134.67 1aur s PRO 65 Ca 0.04 2.62 -0.09 0.00 0.02 0.00 0.00 61.00 63.59 1aur s PRO 65 Cb -0.02 -3.30 0.11 0.00 0.02 0.00 0.00 34.50 31.30 1aur s PRO 65 CO -0.07 -0.80 0.55 0.45 -0.33 0.00 0.00 177.00 176.80 1aur s SER 66 N 1.87 -0.76 0.48 2.53 0.15 -0.68 -1.12 113.70 116.16 1aur s SER 66 Ca 0.78 1.32 0.29 0.00 0.70 0.00 0.00 55.95 59.03 1aur s SER 66 Cb -0.48 1.81 0.94 0.00 -1.71 0.00 0.00 66.02 66.58 1aur s SER 66 CO 0.34 -0.22 1.82 -0.50 1.20 0.00 0.00 173.24 175.88 1aur h TRP 67 N 7.98 0.00 -1.07 3.44 -0.00 -1.91 -3.38 115.95 121.00 1aur h TRP 67 Ca -0.19 0.00 0.33 0.00 -0.00 0.00 0.00 58.89 59.03 1aur h TRP 67 Cb 1.11 0.00 -0.20 0.00 -0.00 0.00 0.00 29.16 30.07 1aur h TRP 67 CO 0.21 0.00 0.97 1.52 -0.00 0.00 0.00 178.44 181.14 1aur s TYR 68 N -3.45 -0.02 0.11 0.49 -0.85 -1.26 -3.81 117.35 108.55 1aur s TYR 68 Ca 0.04 0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.30 1aur s TYR 68 Cb 0.08 0.50 -0.06 0.00 0.38 0.00 0.00 41.96 42.86 1aur s TYR 68 CO 0.58 -0.03 1.10 0.34 -1.52 0.00 0.00 175.55 176.02 1aur s ASP 69 N -2.07 7.25 -0.40 -0.18 2.15 -1.26 -4.86 116.67 117.30 1aur s ASP 69 Ca 0.12 1.97 -0.13 0.00 0.43 0.00 0.00 52.55 54.94 1aur s ASP 69 Cb -0.01 -2.59 0.03 0.00 -0.30 0.00 0.00 42.92 40.06 1aur s ASP 69 CO -0.03 -0.29 0.26 -0.63 -0.17 0.00 0.00 175.17 174.32 1aur s ILE 70 N 0.38 4.89 -0.24 4.11 1.01 -1.26 -1.43 121.20 128.65 1aur s ILE 70 Ca 0.52 -0.83 0.22 0.00 0.00 0.00 0.00 60.65 60.56 1aur s ILE 70 Cb -0.27 -3.76 -0.14 0.00 0.01 0.00 0.00 42.46 38.30 1aur s ILE 70 CO 0.31 -0.32 0.85 0.29 0.00 0.00 0.00 174.94 176.08 1aur n LYS 71 N 5.08 0.56 -3.60 2.79 5.02 0.11 -1.88 118.16 126.23 1aur n LYS 71 Ca -0.11 -0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.11 1aur n LYS 71 Cb 0.46 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 1aur n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aur s ALA 72 N -3.38 -1.86 -0.01 7.82 0.00 -1.18 -4.52 121.76 118.62 1aur s ALA 72 Ca -0.02 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.76 1aur s ALA 72 Cb 0.12 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 1aur s ALA 72 CO 0.83 -0.82 0.01 -1.33 0.00 0.00 0.00 175.76 174.46 1aur n MET 73 N -0.31 2.94 -3.64 0.00 2.81 -1.26 -2.76 117.12 114.90 1aur n MET 73 Ca -0.07 -0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.74 1aur n MET 73 Cb 0.61 -1.04 -0.07 0.00 -0.71 0.00 0.00 33.22 32.01 1aur n MET 73 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1aur s SER 74 N -2.96 -0.57 0.03 7.83 0.01 -1.26 -4.19 113.70 112.58 1aur s SER 74 Ca -0.01 1.04 0.25 0.00 1.31 0.00 0.00 55.95 58.54 1aur s SER 74 Cb 0.01 1.11 0.51 0.00 0.21 0.00 0.00 66.02 67.86 1aur s SER 74 CO 0.06 -0.17 1.42 -0.81 0.41 0.00 0.00 173.24 174.15 1aur n PRO 75 N 2.87 0.07 -3.93 12.44 -0.04 -1.26 -4.92 135.00 140.23 1aur n PRO 75 Ca -0.15 0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 62.98 1aur n PRO 75 Cb 0.56 -1.54 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 1aur n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aur s ALA 76 N -3.04 2.85 0.50 0.55 0.00 -1.26 -5.09 121.76 116.27 1aur s ALA 76 Ca 0.10 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 50.72 1aur s ALA 76 Cb 0.17 -1.72 -0.08 0.00 0.00 0.00 0.00 23.12 21.49 1aur s ALA 76 CO 0.69 -0.40 1.03 1.03 0.00 0.00 0.00 175.76 178.11 1aur s ARG 77 N 1.42 3.77 -0.03 0.00 0.52 -1.26 -4.43 118.95 118.95 1aur s ARG 77 Ca 0.05 1.26 -0.00 0.00 -0.52 0.00 0.00 55.73 56.52 1aur s ARG 77 Cb -0.14 -2.10 0.03 0.00 0.52 0.00 0.00 34.95 33.26 1aur s ARG 77 CO -0.02 -0.44 0.02 0.45 0.02 0.00 0.00 175.30 175.33 1aur s SER 78 N -2.26 0.40 0.37 0.23 0.15 -1.11 -4.95 113.70 106.52 1aur s SER 78 Ca 0.65 0.02 0.04 0.00 0.70 0.00 0.00 55.95 57.36 1aur s SER 78 Cb -0.15 -0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 1aur s SER 78 CO 0.23 -0.14 0.14 0.27 1.20 0.00 0.00 173.24 174.94 1aur s ILE 79 N 1.24 0.58 -0.61 6.45 -4.36 -1.26 0.08 121.20 123.32 1aur s ILE 79 Ca -0.07 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.10 1aur s ILE 79 Cb -0.13 -2.44 0.06 0.00 1.25 0.00 0.00 42.46 41.20 1aur s ILE 79 CO -0.03 0.00 0.92 -0.55 0.24 0.00 0.00 174.94 175.52 1aur s SER 80 N -3.53 6.23 0.38 4.36 0.15 -0.51 -4.91 113.70 115.86 1aur s SER 80 Ca 0.29 -0.80 0.11 0.00 0.70 0.00 0.00 55.95 56.24 1aur s SER 80 Cb 0.04 -2.41 0.75 0.00 -1.71 0.00 0.00 66.02 62.69 1aur s SER 80 CO 0.16 -1.32 1.86 0.25 1.20 0.00 0.00 173.24 175.40 1aur h LEU 81 N 11.04 0.09 0.12 3.45 6.46 -1.99 -2.68 115.31 131.80 1aur h LEU 81 Ca -0.28 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 1aur h LEU 81 Cb 1.07 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 1aur h LEU 81 CO 1.13 0.38 -0.06 -0.33 -0.62 0.00 0.00 178.44 178.94 1aur h GLU 82 N 0.09 -0.15 -0.08 1.25 5.08 -1.99 -0.87 114.58 117.91 1aur h GLU 82 Ca 0.01 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.19 1aur h GLU 82 Cb 0.54 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1aur h GLU 82 CO 0.04 -0.07 -0.76 0.93 -1.00 0.00 0.00 179.01 178.15 1aur h GLU 83 N -0.20 0.44 -0.58 2.33 5.08 -1.89 -2.46 114.58 117.31 1aur h GLU 83 Ca -0.02 -0.37 0.11 0.00 -1.00 0.00 0.00 59.36 58.07 1aur h GLU 83 Cb 0.15 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 1aur h GLU 83 CO 0.03 1.01 0.14 1.25 -1.00 0.00 0.00 179.01 180.44 1aur h LEU 84 N 0.30 0.03 -0.96 1.33 5.85 -1.43 -0.42 115.31 120.02 1aur h LEU 84 Ca -0.04 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 1aur h LEU 84 Cb 1.34 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 1aur h LEU 84 CO 0.13 0.03 -0.35 -0.33 -0.34 0.00 0.00 178.44 177.58 1aur h GLU 85 N 0.27 0.32 0.00 1.25 5.08 -1.00 0.35 114.58 120.84 1aur h GLU 85 Ca 0.30 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1aur h GLU 85 Cb 0.43 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1aur h GLU 85 CO -0.38 0.63 -0.26 -0.39 -1.00 0.00 0.00 179.01 177.62 1aur h VAL 86 N 0.27 0.51 -0.02 3.13 -1.51 -1.31 0.28 116.25 117.61 1aur h VAL 86 Ca 0.03 -1.40 -0.03 0.00 -1.23 0.00 0.00 66.70 64.07 1aur h VAL 86 Cb 0.75 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 1aur h VAL 86 CO 0.06 0.25 -0.10 0.28 -1.23 0.00 0.00 177.57 176.83 1aur h SER 87 N 0.00 0.12 -0.41 4.19 0.02 -0.38 -2.64 113.55 114.45 1aur h SER 87 Ca -0.00 -0.68 0.09 0.00 -0.84 0.00 0.00 61.79 60.35 1aur h SER 87 Cb 0.98 -0.03 -0.09 0.00 0.14 0.00 0.00 62.40 63.39 1aur h SER 87 CO 0.03 0.78 -0.24 0.00 -1.14 0.00 0.00 176.83 176.27 1aur h ALA 88 N 0.34 0.02 -0.18 3.77 0.00 -0.32 -2.23 119.26 120.66 1aur h ALA 88 Ca -0.01 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1aur h ALA 88 Cb 0.78 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1aur h ALA 88 CO 0.02 -0.61 0.13 0.87 0.00 0.00 0.00 179.25 179.66 1aur h LYS 89 N -0.17 0.02 0.00 0.00 6.56 -0.48 -1.95 116.57 120.55 1aur h LYS 89 Ca 0.19 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.78 1aur h LYS 89 Cb 0.47 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1aur h LYS 89 CO -0.51 0.01 -0.61 0.00 -2.06 0.00 0.00 179.45 176.28 1aur h MET 90 N 0.02 0.00 0.04 3.15 -0.00 -1.03 -2.92 114.93 114.19 1aur h MET 90 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.78 1aur h MET 90 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 1aur h MET 90 CO -0.00 0.00 -0.02 0.28 -0.00 0.00 0.00 176.91 177.17 1aur h VAL 91 N 0.00 1.33 -0.87 -0.10 2.07 -0.84 -2.24 116.25 115.60 1aur h VAL 91 Ca 0.00 -1.47 0.25 0.00 0.82 0.00 0.00 66.70 66.30 1aur h VAL 91 Cb 0.84 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 1aur h VAL 91 CO 0.00 0.36 0.62 0.74 0.02 0.00 0.00 177.57 179.31 1aur h THR 92 N -0.74 0.57 0.06 2.57 2.02 -1.56 -0.11 112.91 115.73 1aur h THR 92 Ca -0.01 -0.01 -0.27 0.00 0.77 0.00 0.00 66.41 66.90 1aur h THR 92 Cb 0.63 0.55 0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1aur h THR 92 CO 0.01 0.00 -1.10 0.44 0.37 0.00 0.00 175.52 175.24 1aur h ASP 93 N 0.02 0.71 0.50 4.18 5.19 -1.44 -2.47 116.42 123.12 1aur h ASP 93 Ca 0.42 -0.62 -0.01 0.00 -0.62 0.00 0.00 57.03 56.19 1aur h ASP 93 Cb 1.63 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.92 1aur h ASP 93 CO -0.01 1.43 -0.06 -0.07 -3.12 0.00 0.00 179.24 177.40 1aur h LEU 94 N 0.26 0.00 0.06 1.55 4.07 -0.50 -3.02 115.31 117.73 1aur h LEU 94 Ca -0.13 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.71 1aur h LEU 94 Cb 1.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.51 1aur h LEU 94 CO 0.20 0.06 -0.58 0.40 -1.08 0.00 0.00 178.44 177.44 1aur h ILE 95 N 0.00 1.52 -0.00 1.22 2.04 -0.90 -2.98 117.51 118.40 1aur h ILE 95 Ca -0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1aur h ILE 95 Cb 0.33 3.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 1aur h ILE 95 CO 0.01 0.63 0.00 -0.62 0.00 0.00 0.00 178.15 178.17 1aur n GLU 96 N -4.34 1.04 -0.05 2.37 1.02 -0.95 -0.89 120.64 118.83 1aur n GLU 96 Ca -0.15 -0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 56.83 1aur n GLU 96 Cb 0.67 -1.45 -0.15 0.00 -0.02 0.00 0.00 31.44 30.49 1aur n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aur n ALA 97 N -0.89 1.45 -0.06 0.62 0.00 -1.14 -2.59 120.51 117.90 1aur n ALA 97 Ca 0.21 -0.97 -0.14 0.00 0.00 0.00 0.00 53.44 52.54 1aur n ALA 97 Cb 0.11 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 1aur n ALA 97 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1aur h GLN 98 N 0.01 0.49 -0.40 0.00 1.08 -1.12 -1.48 115.11 113.69 1aur h GLN 98 Ca -0.40 -0.30 0.08 0.00 -1.45 0.00 0.00 58.65 56.58 1aur h GLN 98 Cb 2.09 0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 29.46 1aur h GLN 98 CO 0.05 0.90 -0.27 0.87 -0.95 0.00 0.00 178.83 179.43 1aur h LYS 99 N 0.14 -0.19 -0.61 1.46 1.57 -1.14 -0.66 116.57 117.12 1aur h LYS 99 Ca 0.01 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1aur h LYS 99 Cb 0.86 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 1aur h LYS 99 CO 0.06 -0.13 0.31 -0.09 -0.57 0.00 0.00 179.45 179.04 1aur h ARG 100 N -0.20 0.86 -0.68 3.15 2.43 -1.50 0.90 114.38 119.33 1aur h ARG 100 Ca 0.19 -0.10 0.19 0.00 -0.81 0.00 0.00 59.98 59.45 1aur h ARG 100 Cb 0.50 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1aur h ARG 100 CO -0.52 0.65 0.49 1.15 -1.51 0.00 0.00 179.97 180.23 1aur h THR 101 N 0.86 0.67 0.00 0.20 2.02 -0.03 -3.46 112.91 113.18 1aur h THR 101 Ca 0.22 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1aur h THR 101 Cb 0.06 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1aur h THR 101 CO -0.03 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.48 1aur n GLY 102 N -1.66 1.57 3.89 2.16 0.00 0.31 -5.09 105.19 106.37 1aur n GLY 102 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1aur n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aur s ILE 103 N -1.94 5.11 -0.09 -0.61 1.01 -1.05 -5.02 121.20 118.61 1aur s ILE 103 Ca 0.00 0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 1aur s ILE 103 Cb 0.00 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1aur s ILE 103 CO 0.00 0.04 0.25 -0.62 0.00 0.00 0.00 174.94 174.61 1aur s ASP 104 N -2.36 6.53 0.63 3.58 2.15 -1.26 -3.97 116.67 121.98 1aur s ASP 104 Ca 0.42 0.63 0.30 0.00 0.43 0.00 0.00 52.55 54.33 1aur s ASP 104 Cb -0.12 -2.15 1.64 0.00 -0.30 0.00 0.00 42.92 41.99 1aur s ASP 104 CO 0.23 0.32 1.97 0.00 -0.17 0.00 0.00 175.17 177.53 1aur h ALA 105 N 5.21 1.61 0.00 3.66 0.00 -1.95 -1.15 119.26 126.65 1aur h ALA 105 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1aur h ALA 105 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1aur h ALA 105 CO 0.63 -0.41 0.00 0.77 0.00 0.00 0.00 179.25 180.24 1aur h SER 106 N 0.00 0.00 -0.06 0.00 0.02 -1.85 -2.14 113.55 109.53 1aur h SER 106 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1aur h SER 106 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1aur h SER 106 CO -0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 1aur n ARG 107 N -2.55 2.16 -3.09 3.45 1.74 -0.44 -3.34 116.66 114.59 1aur n ARG 107 Ca 0.04 -2.21 -0.40 0.00 -0.77 0.00 0.00 57.85 54.51 1aur n ARG 107 Cb 0.41 -1.35 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 1aur n ARG 107 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1aur s ILE 108 N -2.10 4.99 0.01 0.55 1.01 -1.04 -1.02 121.20 123.60 1aur s ILE 108 Ca 0.22 1.23 0.02 0.00 0.00 0.00 0.00 60.65 62.13 1aur s ILE 108 Cb 0.18 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1aur s ILE 108 CO 0.04 0.08 -0.02 -0.36 0.00 0.00 0.00 174.94 174.68 1aur s PHE 109 N 2.06 3.01 -0.11 3.97 0.40 0.16 -0.36 117.98 127.11 1aur s PHE 109 Ca 0.29 0.03 -0.06 0.00 -0.60 0.00 0.00 56.93 56.60 1aur s PHE 109 Cb -0.16 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 1aur s PHE 109 CO 0.10 0.44 0.10 -0.51 0.70 0.00 0.00 175.22 176.05 1aur s LEU 110 N -1.59 4.16 0.02 -0.37 1.43 0.32 -1.58 118.68 121.08 1aur s LEU 110 Ca 0.19 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 1aur s LEU 110 Cb -0.11 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1aur s LEU 110 CO 0.10 0.40 -0.06 0.00 0.23 0.00 0.00 176.35 177.02 1aur s ALA 111 N -0.99 0.45 -0.13 4.21 0.00 0.64 0.00 121.76 125.93 1aur s ALA 111 Ca 0.15 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.51 1aur s ALA 111 Cb -0.12 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.03 1aur s ALA 111 CO 0.04 0.02 0.34 0.20 0.00 0.00 0.00 175.76 176.36 1aur s GLY 112 N -0.90 -0.25 -0.18 0.00 0.00 -0.16 -0.91 107.32 104.91 1aur s GLY 112 Ca -0.05 1.11 -0.06 0.00 0.00 0.00 0.00 44.72 45.72 1aur s GLY 112 CO 0.00 1.13 0.03 -0.12 0.00 0.00 0.00 173.10 174.13 1aur s PHE 113 N 0.70 3.14 0.00 1.90 5.36 -0.95 0.03 117.98 128.16 1aur s PHE 113 Ca -0.04 -0.13 0.00 0.00 -0.96 0.00 0.00 56.93 55.79 1aur s PHE 113 Cb -0.05 -2.05 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 1aur s PHE 113 CO -0.05 0.01 0.00 0.45 -1.46 0.00 0.00 175.22 174.18 1aur n SER 114 N 3.72 0.00 0.04 6.13 2.88 0.50 -1.01 113.62 125.89 1aur n SER 114 Ca -0.17 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.34 1aur n SER 114 Cb 0.52 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.19 1aur n SER 114 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1aur h GLN 115 N 0.00 0.40 -0.87 -1.46 4.15 -1.87 -1.88 115.11 113.58 1aur h GLN 115 Ca 0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 1aur h GLN 115 Cb 0.00 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 1aur h GLN 115 CO 0.00 0.67 0.51 0.78 -1.93 0.00 0.00 178.83 178.87 1aur h GLY 116 N 1.07 1.27 1.31 2.39 0.00 -0.99 -2.80 103.07 105.32 1aur h GLY 116 Ca 0.05 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1aur h GLY 116 CO 0.06 0.52 0.32 -1.33 0.00 0.00 0.00 176.54 176.11 1aur h GLY 117 N 1.20 0.96 2.00 4.60 0.00 -1.39 -1.34 103.07 109.11 1aur h GLY 117 Ca 0.31 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1aur h GLY 117 CO -0.06 0.42 -0.10 0.00 0.00 0.00 0.00 176.54 176.80 1aur h ALA 118 N 1.46 1.17 0.19 3.60 0.00 -1.32 0.62 119.26 124.97 1aur h ALA 118 Ca 0.22 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.74 1aur h ALA 118 Cb 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.86 1aur h ALA 118 CO -0.03 0.13 -1.42 0.28 0.00 0.00 0.00 179.25 178.21 1aur h VAL 119 N 0.00 1.18 -0.54 0.00 2.07 -1.19 -2.91 116.25 114.85 1aur h VAL 119 Ca -0.00 -2.55 -0.08 0.00 0.82 0.00 0.00 66.70 64.89 1aur h VAL 119 Cb 0.38 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 1aur h VAL 119 CO 0.01 0.78 0.03 0.58 0.02 0.00 0.00 177.57 178.99 1aur h VAL 120 N -0.06 1.26 -0.24 2.57 2.07 -1.03 -1.28 116.25 119.54 1aur h VAL 120 Ca -0.27 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.23 1aur h VAL 120 Cb 1.96 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 32.57 1aur h VAL 120 CO 0.18 0.38 -0.07 -0.26 0.02 0.00 0.00 177.57 177.82 1aur h PHE 121 N 0.82 -0.16 -0.76 1.57 0.04 -1.00 -0.42 116.94 117.02 1aur h PHE 121 Ca 0.16 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.90 1aur h PHE 121 Cb 0.50 0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.73 1aur h PHE 121 CO 0.04 -0.12 0.27 1.25 -0.60 0.00 0.00 178.31 179.15 1aur h HIS 122 N -0.02 1.20 -0.17 -0.55 2.76 -1.34 -2.19 115.15 114.83 1aur h HIS 122 Ca 0.12 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 1aur h HIS 122 Cb 0.20 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.81 1aur h HIS 122 CO -0.26 0.92 -0.18 1.79 -1.30 0.00 0.00 177.93 178.91 1aur h THR 123 N 1.12 1.34 0.30 6.26 1.35 -1.09 -1.80 112.91 120.40 1aur h THR 123 Ca 0.25 -1.35 -0.01 0.00 -0.55 0.00 0.00 66.41 64.75 1aur h THR 123 Cb 0.26 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1aur h THR 123 CO -0.01 0.40 -0.17 0.00 -0.25 0.00 0.00 175.52 175.49 1aur h ALA 124 N 0.62 -0.44 -0.19 6.62 0.00 -1.02 -0.73 119.26 124.12 1aur h ALA 124 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1aur h ALA 124 Cb 0.72 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1aur h ALA 124 CO 0.04 -0.75 0.00 1.19 0.00 0.00 0.00 179.25 179.73 1aur n PHE 125 N -5.29 0.23 0.00 0.00 3.72 -0.83 -3.92 117.46 111.37 1aur n PHE 125 Ca -0.10 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 1aur n PHE 125 Cb 0.21 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1aur n PHE 125 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1aur n ILE 126 N 0.80 0.00 -0.08 4.37 5.41 -0.70 -4.89 119.36 124.27 1aur n ILE 126 Ca 0.11 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.79 1aur n ILE 126 Cb 0.40 -0.74 -0.03 0.00 -0.71 0.00 0.00 39.64 38.57 1aur n ILE 126 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1aur n ASN 127 N -2.58 1.83 -4.65 4.38 3.02 -1.06 -4.94 115.26 111.27 1aur n ASN 127 Ca 0.00 0.57 -0.42 0.00 -0.03 0.00 0.00 54.58 54.70 1aur n ASN 127 Cb 0.46 -0.86 -0.03 0.00 -0.61 0.00 0.00 39.78 38.74 1aur n ASN 127 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1aur s TRP 128 N -2.34 1.44 -0.35 3.10 -0.11 -0.30 -4.92 118.94 115.46 1aur s TRP 128 Ca -0.18 -0.09 0.06 0.00 1.22 0.00 0.00 56.10 57.11 1aur s TRP 128 Cb 0.03 -4.11 0.47 0.00 -1.50 0.00 0.00 33.47 28.36 1aur s TRP 128 CO 0.29 -4.80 1.44 0.00 -4.62 0.00 0.00 176.95 169.25 1aur n GLN 129 N 7.70 2.71 -1.10 5.86 10.64 -1.26 -4.70 117.38 137.23 1aur n GLN 129 Ca 0.21 -3.63 0.00 0.00 -1.83 0.00 0.00 57.00 51.75 1aur n GLN 129 Cb 0.42 -2.08 0.00 0.00 -0.86 0.00 0.00 30.24 27.72 1aur n GLN 129 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1aur n GLY 130 N -0.92 5.08 3.82 2.61 0.00 -1.26 -4.90 105.19 109.63 1aur n GLY 130 Ca 0.42 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 1aur n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aur s PRO 131 N -0.64 4.21 -0.17 1.61 0.04 -1.26 -4.71 135.00 134.09 1aur s PRO 131 Ca 0.00 1.07 -0.19 0.00 0.04 0.00 0.00 61.00 61.92 1aur s PRO 131 Cb 0.00 -2.24 0.05 0.00 0.04 0.00 0.00 34.50 32.35 1aur s PRO 131 CO 0.00 0.01 0.52 -1.17 0.04 0.00 0.00 177.00 176.40 1aur s LEU 132 N -3.10 -0.01 0.18 -3.56 2.96 -1.24 -4.59 118.68 109.32 1aur s LEU 132 Ca 0.60 0.95 -0.12 0.00 -0.22 0.00 0.00 54.13 55.35 1aur s LEU 132 Cb -0.10 1.84 0.09 0.00 0.50 0.00 0.00 46.19 48.52 1aur s LEU 132 CO 0.14 -0.25 1.77 1.23 -1.32 0.00 0.00 176.35 177.92 1aur h GLY 133 N 4.96 0.96 0.00 7.98 0.00 -0.04 -3.44 103.07 113.49 1aur h GLY 133 Ca -0.28 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1aur h GLY 133 CO 0.21 0.45 0.00 0.61 0.00 0.00 0.00 176.54 177.82 1aur n GLY 134 N -0.95 3.19 3.27 4.60 0.00 -1.24 -4.29 105.19 109.77 1aur n GLY 134 Ca 0.04 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 1aur n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aur s VAL 135 N -2.00 2.21 -0.25 1.61 1.01 -0.56 -0.52 120.40 121.90 1aur s VAL 135 Ca 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1aur s VAL 135 Cb 0.00 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.58 1aur s VAL 135 CO 0.00 0.56 -0.07 -0.63 0.00 0.00 0.00 175.10 174.96 1aur s ILE 136 N 0.10 2.70 -0.23 2.22 1.09 0.10 -1.18 121.20 126.00 1aur s ILE 136 Ca -0.11 -1.20 -0.07 0.00 -1.10 0.00 0.00 60.65 58.18 1aur s ILE 136 Cb -0.16 -2.43 -0.03 0.00 -1.06 0.00 0.00 42.46 38.79 1aur s ILE 136 CO 0.06 0.13 0.05 0.00 -0.10 0.00 0.00 174.94 175.07 1aur s ALA 137 N 1.27 3.12 -0.20 9.38 0.00 0.68 -0.99 121.76 135.01 1aur s ALA 137 Ca -0.02 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 1aur s ALA 137 Cb -0.18 -1.98 0.01 0.00 0.00 0.00 0.00 23.12 20.98 1aur s ALA 137 CO -0.05 -0.38 -0.13 -0.51 0.00 0.00 0.00 175.76 174.69 1aur s LEU 138 N 1.41 2.51 -1.22 0.00 1.02 0.11 -1.22 118.68 121.30 1aur s LEU 138 Ca 0.05 -0.60 -0.08 0.00 0.02 0.00 0.00 54.13 53.53 1aur s LEU 138 Cb -0.15 -1.59 -0.01 0.00 0.02 0.00 0.00 46.19 44.46 1aur s LEU 138 CO 0.02 -0.02 0.75 -1.20 0.02 0.00 0.00 176.35 175.92 1aur n SER 139 N 4.68 -3.37 -1.67 2.29 7.64 -0.24 -0.37 113.62 122.59 1aur n SER 139 Ca -0.19 -0.88 -0.05 0.00 1.01 0.00 0.00 58.87 58.76 1aur n SER 139 Cb 0.50 -3.95 -0.01 0.00 -1.01 0.00 0.00 64.21 59.74 1aur n SER 139 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1aur n THR 140 N -4.08 0.00 -3.40 0.44 5.66 -1.26 -3.48 114.28 108.15 1aur n THR 140 Ca -0.20 -0.57 -0.01 0.00 -3.05 0.00 0.00 64.05 60.23 1aur n THR 140 Cb 0.64 0.37 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 1aur n THR 140 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1aur n TYR 141 N -0.19 -0.88 -3.70 1.09 4.11 -1.26 -2.97 117.16 113.35 1aur n TYR 141 Ca -0.00 -0.27 -0.29 0.00 -0.00 0.00 0.00 57.90 57.34 1aur n TYR 141 Cb 0.20 0.13 -0.13 0.00 -0.00 0.00 0.00 39.34 39.55 1aur n TYR 141 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1aur s ALA 142 N -1.20 2.24 0.56 -3.48 0.00 -1.26 -3.81 121.76 114.80 1aur s ALA 142 Ca 0.04 -2.70 0.30 0.00 0.00 0.00 0.00 51.96 49.60 1aur s ALA 142 Cb -0.01 -1.89 1.46 0.00 0.00 0.00 0.00 23.12 22.69 1aur s ALA 142 CO 0.01 -2.06 1.90 -1.00 0.00 0.00 0.00 175.76 174.61 1aur h PRO 143 N 6.50 0.00 -0.53 0.00 0.13 -1.98 -1.84 132.00 134.27 1aur h PRO 143 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1aur h PRO 143 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1aur h PRO 143 CO 0.49 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.51 1aur n THR 144 N -4.03 1.47 -3.40 1.56 -2.24 -1.26 -4.83 114.28 101.55 1aur n THR 144 Ca 0.13 -1.18 -0.38 0.00 -2.27 0.00 0.00 64.05 60.34 1aur n THR 144 Cb 0.80 0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 69.22 1aur n THR 144 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1aur s PHE 145 N -1.54 3.32 0.10 4.78 0.40 -0.69 -5.02 117.98 119.33 1aur s PHE 145 Ca 0.42 0.53 0.01 0.00 -0.60 0.00 0.00 56.93 57.28 1aur s PHE 145 Cb 0.26 -2.53 -0.00 0.00 0.51 0.00 0.00 43.02 41.25 1aur s PHE 145 CO 0.22 -0.09 0.04 0.41 0.70 0.00 0.00 175.22 176.50 1aur n GLY 146 N 4.20 3.89 0.40 4.36 0.00 -1.26 -5.00 105.19 111.79 1aur n GLY 146 Ca -0.09 -1.95 0.19 0.00 0.00 0.00 0.00 46.02 44.17 1aur n GLY 146 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1aur h ASP 147 N 0.40 0.44 0.00 1.61 5.19 -2.03 -1.44 116.42 120.59 1aur h ASP 147 Ca -0.08 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1aur h ASP 147 Cb 0.29 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1aur h ASP 147 CO 0.12 0.16 0.00 -1.84 -3.12 0.00 0.00 179.24 174.56 1aur n GLU 148 N -4.54 0.95 -2.02 3.56 0.00 -1.26 -4.89 120.64 112.44 1aur n GLU 148 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.95 1aur n GLU 148 Cb 0.72 -1.03 -0.03 0.00 0.00 0.00 0.00 31.44 31.10 1aur n GLU 148 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1aur s LEU 149 N -1.06 4.37 -0.08 -1.84 2.96 -0.54 -4.99 118.68 117.49 1aur s LEU 149 Ca 0.03 2.48 -0.03 0.00 -0.22 0.00 0.00 54.13 56.40 1aur s LEU 149 Cb 0.01 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 43.15 1aur s LEU 149 CO 0.02 -0.77 0.06 -0.70 -1.32 0.00 0.00 176.35 173.64 1aur s GLU 150 N 1.39 0.08 0.30 1.98 2.56 -1.26 -5.05 118.70 118.70 1aur s GLU 150 Ca 0.69 0.21 -0.03 0.00 0.00 0.00 0.00 54.97 55.84 1aur s GLU 150 Cb -0.40 -0.92 -0.05 0.00 2.00 0.00 0.00 34.13 34.76 1aur s GLU 150 CO 0.31 -0.41 0.54 -0.51 -0.56 0.00 0.00 175.26 174.63 1aur s LEU 151 N 2.12 4.05 0.54 2.70 1.43 -1.26 -5.04 118.68 123.22 1aur s LEU 151 Ca 0.04 0.62 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 1aur s LEU 151 Cb -0.13 -3.45 0.04 0.00 0.03 0.00 0.00 46.19 42.68 1aur s LEU 151 CO -0.05 -0.22 0.76 -0.94 0.23 0.00 0.00 176.35 176.13 1aur s SER 152 N -3.42 5.25 0.26 2.29 1.04 -1.26 -4.92 113.70 112.94 1aur s SER 152 Ca 0.42 -0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.66 1aur s SER 152 Cb -0.10 -0.69 0.40 0.00 0.10 0.00 0.00 66.02 65.72 1aur s SER 152 CO 0.32 -1.15 1.87 0.00 0.98 0.00 0.00 173.24 175.26 1aur h ALA 153 N 0.13 1.34 0.03 5.32 0.00 -1.99 -1.10 119.26 122.99 1aur h ALA 153 Ca -0.41 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 1aur h ALA 153 Cb 1.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1aur h ALA 153 CO 0.49 0.37 -1.00 0.66 0.00 0.00 0.00 179.25 179.77 1aur h SER 154 N 1.09 0.19 -0.24 0.00 4.64 -1.91 -3.27 113.55 114.05 1aur h SER 154 Ca 0.42 -0.18 -0.14 0.00 -0.47 0.00 0.00 61.79 61.43 1aur h SER 154 Cb 0.20 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1aur h SER 154 CO -0.18 1.07 -0.34 1.56 -0.87 0.00 0.00 176.83 178.07 1aur h GLN 155 N 0.05 0.76 0.00 4.77 4.20 -1.74 -2.71 115.11 120.43 1aur h GLN 155 Ca -0.05 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1aur h GLN 155 Cb 1.71 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.48 1aur h GLN 155 CO 0.15 0.98 0.00 1.96 -0.67 0.00 0.00 178.83 181.25 1aur h GLN 156 N 0.64 0.00 0.00 1.46 4.20 -1.29 -2.28 115.11 117.84 1aur h GLN 156 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1aur h GLN 156 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1aur h GLN 156 CO 0.08 0.00 -0.80 0.54 -0.67 0.00 0.00 178.83 177.97 1aur n ARG 157 N -2.85 0.06 -2.29 1.46 1.74 -1.02 -4.28 116.66 109.47 1aur n ARG 157 Ca -0.02 -0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.63 1aur n ARG 157 Cb 0.11 -1.52 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 1aur n ARG 157 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1aur s ILE 158 N -3.04 4.04 0.47 0.55 1.01 -0.86 -5.00 121.20 118.37 1aur s ILE 158 Ca 0.08 1.25 -0.19 0.00 0.00 0.00 0.00 60.65 61.78 1aur s ILE 158 Cb 0.16 -3.86 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 1aur s ILE 158 CO 0.79 -0.17 0.98 -2.16 0.00 0.00 0.00 174.94 174.38 1aur s PRO 159 N 3.82 4.02 0.10 2.79 0.04 -1.26 -4.49 135.00 140.02 1aur s PRO 159 Ca 0.61 1.13 0.05 0.00 0.04 0.00 0.00 61.00 62.83 1aur s PRO 159 Cb -0.24 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1aur s PRO 159 CO 0.20 -0.22 -0.12 0.00 0.04 0.00 0.00 177.00 176.91 1aur s ALA 160 N -2.27 1.25 -0.14 8.56 0.00 -0.57 -1.49 121.76 127.11 1aur s ALA 160 Ca 0.62 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 1aur s ALA 160 Cb -0.11 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.03 1aur s ALA 160 CO 0.20 0.02 -0.05 -1.17 0.00 0.00 0.00 175.76 174.76 1aur s LEU 161 N -2.41 1.30 -0.21 0.00 0.20 -0.33 -2.24 118.68 114.98 1aur s LEU 161 Ca 0.06 -0.46 -0.04 0.00 0.69 0.00 0.00 54.13 54.38 1aur s LEU 161 Cb -0.04 -0.81 -0.01 0.00 -0.43 0.00 0.00 46.19 44.90 1aur s LEU 161 CO 0.01 -0.17 -0.03 0.00 -0.29 0.00 0.00 176.35 175.88 1aur s LEU 163 N 1.34 2.18 0.04 0.00 1.02 -0.35 -1.06 118.68 121.86 1aur s LEU 163 Ca 0.04 -0.52 -0.27 0.00 0.02 0.00 0.00 54.13 53.40 1aur s LEU 163 Cb -0.14 -0.84 0.07 0.00 0.02 0.00 0.00 46.19 45.29 1aur s LEU 163 CO -0.01 0.11 0.63 -2.28 0.02 0.00 0.00 176.35 174.81 1aur s HIS 164 N -0.86 -0.59 -0.13 0.29 2.46 -0.49 -1.08 115.29 114.89 1aur s HIS 164 Ca 0.05 0.74 -0.17 0.00 0.47 0.00 0.00 55.06 56.15 1aur s HIS 164 Cb -0.09 0.46 -0.04 0.00 -0.13 0.00 0.00 32.58 32.78 1aur s HIS 164 CO 0.02 -0.71 0.43 0.20 -2.47 0.00 0.00 174.74 172.21 1aur s GLY 165 N -1.90 2.34 0.32 1.59 0.00 -1.26 -1.35 107.32 107.05 1aur s GLY 165 Ca -0.06 -0.26 0.05 0.00 0.00 0.00 0.00 44.72 44.45 1aur s GLY 165 CO -0.01 0.68 1.57 1.46 0.00 0.00 0.00 173.10 176.81 1aur h GLN 166 N 6.72 0.01 -0.80 2.90 4.20 -0.93 -2.38 115.11 124.83 1aur h GLN 166 Ca -0.41 -0.00 -0.57 0.00 0.06 0.00 0.00 58.65 57.73 1aur h GLN 166 Cb 1.17 -0.00 -0.37 0.00 0.30 0.00 0.00 27.48 28.58 1aur h GLN 166 CO 0.76 0.00 -0.27 0.66 -0.67 0.00 0.00 178.83 179.31 1aur n TYR 167 N -5.46 2.81 -2.30 2.96 4.01 -0.58 -4.80 117.16 113.80 1aur n TYR 167 Ca 0.25 -2.44 -0.43 0.00 -0.16 0.00 0.00 57.90 55.13 1aur n TYR 167 Cb 0.84 -0.69 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 1aur n TYR 167 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1aur s ASP 168 N -3.02 6.82 0.00 7.72 -1.08 -0.90 -4.23 116.67 121.99 1aur s ASP 168 Ca 0.55 1.78 0.20 0.00 -0.52 0.00 0.00 52.55 54.56 1aur s ASP 168 Cb 0.44 -2.54 0.06 0.00 -1.46 0.00 0.00 42.92 39.42 1aur s ASP 168 CO 0.02 -0.86 1.04 0.47 0.52 0.00 0.00 175.17 176.36 1aur n ASP 169 N 6.94 2.18 -0.09 -0.34 8.00 -1.26 -4.07 116.55 127.91 1aur n ASP 169 Ca 0.15 -1.59 -0.12 0.00 0.71 0.00 0.00 54.79 53.94 1aur n ASP 169 Cb 0.44 0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 41.78 1aur n ASP 169 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1aur n VAL 170 N 0.42 1.47 -3.84 2.53 0.31 -1.26 -4.76 118.33 113.20 1aur n VAL 170 Ca 0.10 0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 64.16 1aur n VAL 170 Cb 0.45 -2.26 -0.12 0.00 -0.91 0.00 0.00 33.84 30.99 1aur n VAL 170 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1aur s VAL 171 N -2.49 3.04 0.37 2.52 -7.23 -1.26 -5.07 120.40 110.27 1aur s VAL 171 Ca -0.24 -2.10 -0.24 0.00 -1.81 0.00 0.00 61.98 57.59 1aur s VAL 171 Cb 0.05 -3.10 -0.13 0.00 0.56 0.00 0.00 36.38 33.76 1aur s VAL 171 CO 0.37 -0.64 0.69 0.00 -0.31 0.00 0.00 175.10 175.21 1aur n GLN 172 N 4.51 0.75 -0.25 4.82 3.00 -1.26 -4.74 117.38 124.22 1aur n GLN 172 Ca -0.01 0.27 0.04 0.00 -0.01 0.00 0.00 57.00 57.28 1aur n GLN 172 Cb 0.42 -1.57 0.17 0.00 0.00 0.00 0.00 30.24 29.25 1aur n GLN 172 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1aur h ASN 173 N 1.15 0.34 -0.96 1.08 -1.24 -1.81 0.22 115.58 114.35 1aur h ASN 173 Ca -0.39 0.09 0.12 0.00 0.71 0.00 0.00 56.30 56.83 1aur h ASN 173 Cb 1.39 0.05 -0.08 0.00 0.73 0.00 0.00 38.32 40.41 1aur h ASN 173 CO 0.55 0.16 0.61 0.00 -1.29 0.00 0.00 177.43 177.46 1aur h ALA 174 N 1.50 1.60 -0.56 1.57 0.00 -1.96 0.14 119.26 121.56 1aur h ALA 174 Ca 0.39 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 1aur h ALA 174 Cb 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1aur h ALA 174 CO -0.35 0.17 0.07 0.52 0.00 0.00 0.00 179.25 179.66 1aur h MET 175 N 0.93 0.91 -0.37 0.00 2.86 -0.90 -0.25 114.93 118.10 1aur h MET 175 Ca 0.47 -0.23 -0.16 0.00 -2.06 0.00 0.00 59.70 57.73 1aur h MET 175 Cb 0.50 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1aur h MET 175 CO -0.23 0.86 -0.38 0.78 1.06 0.00 0.00 176.91 179.00 1aur h GLY 176 N 1.00 0.98 1.02 8.32 0.00 -0.83 -3.06 103.07 110.50 1aur h GLY 176 Ca 0.17 -0.99 -0.05 0.00 0.00 0.00 0.00 47.33 46.46 1aur h GLY 176 CO 0.01 0.89 0.22 -0.09 0.00 0.00 0.00 176.54 177.57 1aur h ARG 177 N 0.74 1.01 -0.69 4.80 9.65 -0.64 -2.80 114.38 126.45 1aur h ARG 177 Ca 0.06 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1aur h ARG 177 Cb 0.96 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.36 1aur h ARG 177 CO 0.09 0.88 0.37 1.03 2.80 0.00 0.00 179.97 185.14 1aur h SER 178 N 0.94 0.85 -0.57 -3.80 0.87 -1.00 -1.66 113.55 109.18 1aur h SER 178 Ca 0.21 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1aur h SER 178 Cb 0.28 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1aur h SER 178 CO -0.01 0.69 0.35 0.00 -0.53 0.00 0.00 176.83 177.33 1aur h ALA 179 N 1.45 0.72 -0.58 6.23 0.00 -1.40 -1.15 119.26 124.53 1aur h ALA 179 Ca 0.24 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.20 1aur h ALA 179 Cb 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1aur h ALA 179 CO -0.04 0.20 0.40 0.35 0.00 0.00 0.00 179.25 180.15 1aur h PHE 180 N 0.77 0.36 0.00 0.00 3.57 -1.18 -2.53 116.94 117.92 1aur h PHE 180 Ca 0.20 0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.47 1aur h PHE 180 Cb -0.03 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 1aur h PHE 180 CO -0.02 0.17 -1.51 0.93 -2.23 0.00 0.00 178.31 175.64 1aur h GLU 181 N 0.33 0.00 0.00 1.11 5.08 -0.65 -1.31 114.58 119.14 1aur h GLU 181 Ca 0.27 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1aur h GLU 181 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1aur h GLU 181 CO -0.07 0.47 -0.53 0.45 -1.00 0.00 0.00 179.01 178.33 1aur h HIS 182 N 0.00 0.00 0.06 4.33 3.86 -1.14 -2.58 115.15 119.68 1aur h HIS 182 Ca -0.21 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.74 1aur h HIS 182 Cb 1.84 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.29 1aur h HIS 182 CO 0.00 0.53 -1.21 -0.07 0.86 0.00 0.00 177.93 178.04 1aur h LEU 183 N 0.00 0.20 0.00 2.43 3.38 -1.38 -3.23 115.31 116.72 1aur h LEU 183 Ca -0.01 -0.23 -0.23 0.00 0.09 0.00 0.00 57.88 57.50 1aur h LEU 183 Cb 1.02 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 41.72 1aur h LEU 183 CO 0.07 1.19 -0.89 0.50 0.09 0.00 0.00 178.44 179.39 1aur h LYS 184 N 0.04 0.60 0.00 1.13 3.64 -1.25 -1.93 116.57 118.79 1aur h LYS 184 Ca -0.11 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 58.63 1aur h LYS 184 Cb 1.89 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.90 1aur h LYS 184 CO 0.16 1.25 0.00 0.66 -2.27 0.00 0.00 179.45 179.25 1aur h SER 185 N 0.21 0.00 -0.39 4.20 4.64 -1.55 -2.77 113.55 117.90 1aur h SER 185 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1aur h SER 185 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1aur h SER 185 CO 0.18 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.68 1aur n ARG 186 N -2.85 3.47 -0.30 4.77 3.00 -1.08 -4.91 116.66 118.76 1aur n ARG 186 Ca -0.01 -2.83 0.00 0.00 -0.01 0.00 0.00 57.85 55.00 1aur n ARG 186 Cb 0.17 -1.88 0.00 0.00 0.00 0.00 0.00 32.46 30.75 1aur n ARG 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1aur n GLY 187 N 0.06 0.72 3.77 -0.13 0.00 -1.04 -4.84 105.19 103.74 1aur n GLY 187 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1aur n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aur s VAL 188 N -2.37 4.61 -0.91 1.61 1.01 -0.75 -4.84 120.40 118.77 1aur s VAL 188 Ca 0.00 1.52 -0.24 0.00 0.00 0.00 0.00 61.98 63.26 1aur s VAL 188 Cb 0.00 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1aur s VAL 188 CO 0.00 0.47 1.53 -0.89 0.00 0.00 0.00 175.10 176.21 1aur s THR 189 N -0.72 3.75 0.05 3.92 2.01 -1.26 -4.50 115.64 118.89 1aur s THR 189 Ca 0.34 -0.36 0.07 0.00 0.31 0.00 0.00 61.69 62.06 1aur s THR 189 Cb -0.21 -4.76 -0.03 0.00 0.01 0.00 0.00 72.50 67.51 1aur s THR 189 CO 0.23 -1.67 -0.16 0.68 -0.69 0.00 0.00 174.62 173.00 1aur s VAL 190 N 6.36 2.93 -0.06 3.82 -7.23 -1.26 -1.51 120.40 123.44 1aur s VAL 190 Ca 0.49 -1.17 0.05 0.00 -1.81 0.00 0.00 61.98 59.54 1aur s VAL 190 Cb -0.04 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 1aur s VAL 190 CO -0.00 0.31 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.97 1aur s THR 191 N -0.97 1.93 -0.17 5.32 2.01 -0.95 -5.00 115.64 117.81 1aur s THR 191 Ca 0.16 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 1aur s THR 191 Cb -0.11 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 1aur s THR 191 CO 0.06 0.54 -0.11 0.86 -0.69 0.00 0.00 174.62 175.28 1aur s TRP 192 N 0.00 2.85 -0.06 4.92 -0.11 -1.26 -0.53 118.94 124.76 1aur s TRP 192 Ca -0.07 -0.88 0.02 0.00 1.22 0.00 0.00 56.10 56.39 1aur s TRP 192 Cb -0.14 -1.94 0.01 0.00 -1.50 0.00 0.00 33.47 29.90 1aur s TRP 192 CO 0.05 -0.40 -0.10 -0.65 -4.62 0.00 0.00 176.95 171.22 1aur s GLN 193 N 0.84 1.43 0.08 5.86 -0.21 -0.22 -4.99 119.66 122.46 1aur s GLN 193 Ca -0.03 -0.34 0.04 0.00 0.02 0.00 0.00 55.36 55.05 1aur s GLN 193 Cb -0.15 -1.23 -0.04 0.00 1.00 0.00 0.00 33.01 32.59 1aur s GLN 193 CO 0.00 0.01 0.04 -2.00 -2.12 0.00 0.00 175.29 171.23 1aur s GLU 194 N 0.67 2.73 0.02 2.91 2.12 -1.26 -1.40 118.70 124.49 1aur s GLU 194 Ca -0.13 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.46 1aur s GLU 194 Cb -0.15 -2.64 -0.02 0.00 0.26 0.00 0.00 34.13 31.58 1aur s GLU 194 CO 0.03 0.56 -0.05 0.71 -0.54 0.00 0.00 175.26 175.96 1aur s TYR 195 N -1.35 0.42 -1.04 5.30 1.51 -0.46 -4.95 117.35 116.78 1aur s TYR 195 Ca 0.28 -0.39 -0.23 0.00 -1.01 0.00 0.00 57.07 55.72 1aur s TYR 195 Cb -0.12 -0.27 0.03 0.00 -0.11 0.00 0.00 41.96 41.49 1aur s TYR 195 CO 0.20 -0.10 1.62 -1.25 -1.11 0.00 0.00 175.55 174.91 1aur s PRO 196 N -1.12 3.37 -0.08 -1.71 0.04 -1.26 -0.71 135.00 133.53 1aur s PRO 196 Ca -0.09 -1.06 -0.32 0.00 0.04 0.00 0.00 61.00 59.57 1aur s PRO 196 Cb -0.08 -5.32 0.13 0.00 0.04 0.00 0.00 34.50 29.28 1aur s PRO 196 CO -0.00 -2.55 1.27 0.00 0.04 0.00 0.00 177.00 175.75 1aur s MET 197 N 5.39 0.36 0.00 4.56 0.23 -1.26 -4.98 119.30 123.59 1aur s MET 197 Ca 0.53 -0.18 0.00 0.00 -1.03 0.00 0.00 55.69 55.01 1aur s MET 197 Cb -0.01 0.13 0.00 0.00 -1.53 0.00 0.00 34.83 33.42 1aur s MET 197 CO -0.04 -0.16 0.00 0.41 -2.03 0.00 0.00 175.02 173.19 1aur n GLY 198 N -0.35 1.43 3.46 3.16 0.00 -1.26 -1.52 105.19 110.11 1aur n GLY 198 Ca -0.05 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 1aur n GLY 198 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1aur s HIS 199 N 3.77 3.00 0.04 1.61 2.46 -1.26 -4.36 115.29 120.55 1aur s HIS 199 Ca 0.00 -1.22 -0.27 0.00 0.47 0.00 0.00 55.06 54.04 1aur s HIS 199 Cb 0.00 -4.32 0.10 0.00 -0.13 0.00 0.00 32.58 28.22 1aur s HIS 199 CO 0.00 -1.55 1.22 -1.83 -2.47 0.00 0.00 174.74 170.10 1aur s GLU 200 N 3.10 0.64 -0.01 2.88 -1.05 -1.26 -5.13 118.70 117.87 1aur s GLU 200 Ca 0.32 -0.40 0.08 0.00 -0.15 0.00 0.00 54.97 54.82 1aur s GLU 200 Cb -0.06 0.19 -0.02 0.00 -0.44 0.00 0.00 34.13 33.79 1aur s GLU 200 CO -0.07 -0.30 -0.25 0.08 0.95 0.00 0.00 175.26 175.68 1aur s VAL 201 N -2.19 1.96 0.14 1.83 1.01 -1.26 -4.91 120.40 116.98 1aur s VAL 201 Ca 0.24 -1.10 0.05 0.00 0.00 0.00 0.00 61.98 61.17 1aur s VAL 201 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1aur s VAL 201 CO 0.00 0.51 0.08 -0.76 0.00 0.00 0.00 175.10 174.93 1aur s LEU 202 N -0.68 3.65 0.16 3.92 1.43 -1.26 -5.06 118.68 120.83 1aur s LEU 202 Ca 0.10 -0.18 -0.25 0.00 -1.03 0.00 0.00 54.13 52.77 1aur s LEU 202 Cb -0.10 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.85 1aur s LEU 202 CO -0.00 0.10 1.59 -0.65 0.23 0.00 0.00 176.35 177.61 1aur h PRO 203 N 2.73 -0.29 -0.58 1.29 0.11 -2.00 -1.60 132.00 131.66 1aur h PRO 203 Ca -0.47 0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.77 1aur h PRO 203 Cb 1.19 0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.26 1aur h PRO 203 CO 0.62 -0.20 -0.19 0.37 -0.21 0.00 0.00 178.00 178.39 1aur h GLN 204 N -0.31 -0.05 -1.00 1.05 4.15 -1.98 0.15 115.11 117.13 1aur h GLN 204 Ca 0.15 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.62 1aur h GLN 204 Cb 0.57 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.21 1aur h GLN 204 CO -0.54 -0.03 0.65 1.49 -1.93 0.00 0.00 178.83 178.47 1aur h GLU 205 N -0.05 1.20 -0.05 1.69 4.81 -1.85 0.84 114.58 121.17 1aur h GLU 205 Ca 0.27 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.28 1aur h GLU 205 Cb 0.47 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1aur h GLU 205 CO -0.62 0.79 -0.63 0.82 -0.73 0.00 0.00 179.01 178.64 1aur h ILE 206 N 1.23 1.41 -0.53 2.32 1.08 -0.47 0.15 117.51 122.70 1aur h ILE 206 Ca 0.41 -2.07 -0.09 0.00 -0.39 0.00 0.00 64.86 62.73 1aur h ILE 206 Cb 0.06 2.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 1aur h ILE 206 CO -0.14 0.61 -0.01 -0.74 -0.69 0.00 0.00 178.15 177.18 1aur h HIS 207 N 0.15 1.02 -0.66 1.37 -0.00 0.39 -2.32 115.15 115.09 1aur h HIS 207 Ca -0.01 -0.18 -0.04 0.00 -0.00 0.00 0.00 60.37 60.14 1aur h HIS 207 Cb 1.15 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 28.26 1aur h HIS 207 CO 0.02 0.94 0.25 -0.44 -0.00 0.00 0.00 177.93 178.70 1aur h ASP 208 N 0.81 0.91 -0.12 3.26 5.19 0.16 -2.36 116.42 124.27 1aur h ASP 208 Ca 0.15 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1aur h ASP 208 Cb 0.54 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 1aur h ASP 208 CO 0.03 0.82 0.05 0.40 -3.12 0.00 0.00 179.24 177.42 1aur h ILE 209 N 0.96 1.15 -0.94 0.35 2.04 -0.50 -2.06 117.51 118.52 1aur h ILE 209 Ca 0.22 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1aur h ILE 209 Cb 0.21 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 1aur h ILE 209 CO -0.02 0.14 0.62 1.23 0.00 0.00 0.00 178.15 180.12 1aur h GLY 210 N 0.04 1.33 0.99 5.37 0.00 -1.21 -1.61 103.07 107.98 1aur h GLY 210 Ca 0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1aur h GLY 210 CO -0.00 0.46 0.29 0.00 0.00 0.00 0.00 176.54 177.29 1aur h ALA 211 N 1.35 0.67 -0.71 3.60 0.00 -1.37 -1.95 119.26 120.85 1aur h ALA 211 Ca 0.35 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1aur h ALA 211 Cb -0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1aur h ALA 211 CO -0.09 0.18 0.47 2.35 0.00 0.00 0.00 179.25 182.16 1aur h TRP 212 N 0.70 0.86 0.12 0.00 7.01 -0.57 -2.47 115.95 121.59 1aur h TRP 212 Ca 0.18 0.02 -0.17 0.00 2.11 0.00 0.00 58.89 61.04 1aur h TRP 212 Cb 0.03 -0.29 0.02 0.00 -2.10 0.00 0.00 29.16 26.82 1aur h TRP 212 CO -0.02 0.52 -0.74 -0.07 -2.79 0.00 0.00 178.44 175.34 1aur h LEU 213 N 0.90 0.40 -2.01 0.65 3.38 -1.16 -2.17 115.31 115.31 1aur h LEU 213 Ca 0.27 -0.95 0.13 0.00 0.09 0.00 0.00 57.88 57.42 1aur h LEU 213 Cb -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1aur h LEU 213 CO -0.07 1.35 0.42 0.00 0.09 0.00 0.00 178.44 180.23 1aur h ALA 214 N 0.06 2.21 0.18 1.53 0.00 -1.28 0.16 119.26 122.13 1aur h ALA 214 Ca -0.13 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.46 1aur h ALA 214 Cb 1.56 0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.40 1aur h ALA 214 CO 0.13 -0.65 -1.38 0.00 0.00 0.00 0.00 179.25 177.35 1aur h ALA 215 N 1.58 0.02 -0.23 0.00 0.00 -1.31 -1.55 119.26 117.77 1aur h ALA 215 Ca 0.21 -0.91 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 1aur h ALA 215 Cb 1.05 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1aur h ALA 215 CO -0.00 0.89 -0.33 0.00 0.00 0.00 0.00 179.25 179.81 1aur h ARG 216 N 0.10 0.47 -0.01 0.00 2.47 -0.28 -1.97 114.38 115.17 1aur h ARG 216 Ca -0.20 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 1aur h ARG 216 Cb 2.05 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.36 1aur h ARG 216 CO 0.23 0.75 -0.43 1.28 0.56 0.00 0.00 179.97 182.36 1aur n LEU 217 N -4.07 1.20 -0.92 3.04 4.77 0.35 -5.07 117.00 116.30 1aur n LEU 217 Ca -0.01 -0.37 0.12 0.00 -0.03 0.00 0.00 56.01 55.72 1aur n LEU 217 Cb 0.46 -0.10 0.13 0.00 -2.33 0.00 0.00 43.42 41.58 1aur n LEU 217 CO 0.43 0.24 0.65 0.61 -1.33 0.00 0.00 177.39 177.99