#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qas s PRO 7 N 0.00 3.40 0.14 0.54 0.04 -1.26 -5.13 135.00 132.72 2qas s PRO 7 Ca 0.00 -0.33 -0.31 0.00 0.04 0.00 0.00 61.00 60.40 2qas s PRO 7 Cb 0.00 -3.01 -0.10 0.00 0.04 0.00 0.00 34.50 31.43 2qas s PRO 7 CO 0.00 0.58 1.69 -1.21 0.04 0.00 0.00 177.00 178.11 2qas s GLU 8 N -0.51 4.17 -0.64 4.56 8.01 -1.26 -4.94 118.70 128.09 2qas s GLU 8 Ca 0.10 2.47 -0.22 0.00 0.01 0.00 0.00 54.97 57.33 2qas s GLU 8 Cb -0.12 -3.38 0.08 0.00 -4.31 0.00 0.00 34.13 26.40 2qas s GLU 8 CO 0.02 -0.74 0.90 0.34 0.01 0.00 0.00 175.26 175.80 2qas s ASP 9 N 1.93 6.18 0.00 -0.19 -1.08 -1.26 -4.87 116.67 117.38 2qas s ASP 9 Ca 0.75 -1.07 0.27 0.00 -0.52 0.00 0.00 52.55 51.98 2qas s ASP 9 Cb -0.44 -2.39 1.18 0.00 -1.46 0.00 0.00 42.92 39.81 2qas s ASP 9 CO 0.33 -1.36 1.87 0.18 0.52 0.00 0.00 175.17 176.71 2qas n LEU 10 N 7.39 0.00 0.06 -1.34 4.77 -1.26 -2.62 117.00 123.99 2qas n LEU 10 Ca -0.05 0.46 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 2qas n LEU 10 Cb 0.45 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2qas n LEU 10 CO 0.63 -0.04 -0.04 0.23 -1.33 0.00 0.00 177.39 176.84 2qas n MET 11 N -1.46 0.47 -3.73 3.23 2.81 -1.26 -4.98 117.12 112.20 2qas n MET 11 Ca 0.08 0.04 -0.24 0.00 -1.81 0.00 0.00 57.70 55.77 2qas n MET 11 Cb 0.30 -1.70 0.02 0.00 -0.71 0.00 0.00 33.22 31.13 2qas n MET 11 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2qas n GLN 12 N -2.33 -3.69 -0.28 0.03 6.02 -1.08 -4.83 117.38 111.23 2qas n GLN 12 Ca 0.01 0.55 -0.04 0.00 -0.01 0.00 0.00 57.00 57.51 2qas n GLN 12 Cb 0.50 -4.86 0.07 0.00 1.02 0.00 0.00 30.24 26.98 2qas n GLN 12 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 2qas h TYR 13 N -1.82 0.98 -0.73 1.08 0.99 -1.94 -1.48 116.97 114.05 2qas h TYR 13 Ca -0.63 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.11 2qas h TYR 13 Cb 1.36 -0.33 -0.04 0.00 1.00 0.00 0.00 36.73 38.72 2qas h TYR 13 CO 0.44 0.61 0.40 1.49 -0.00 0.00 0.00 178.16 181.10 2qas h GLU 14 N 1.05 1.00 -0.32 4.88 4.57 -1.98 0.13 114.58 123.93 2qas h GLU 14 Ca 0.29 -0.11 -0.11 0.00 -1.18 0.00 0.00 59.36 58.25 2qas h GLU 14 Cb -0.11 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.27 2qas h GLU 14 CO -0.07 0.73 -0.25 0.00 -1.18 0.00 0.00 179.01 178.25 2qas h ALA 15 N 1.43 0.46 -0.14 2.92 0.00 -1.81 -2.34 119.26 119.78 2qas h ALA 15 Ca 0.26 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2qas h ALA 15 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2qas h ALA 15 CO -0.04 0.45 -0.17 0.52 0.00 0.00 0.00 179.25 180.00 2qas h MET 16 N 0.49 0.22 -0.05 0.00 2.86 -0.76 -1.84 114.93 115.86 2qas h MET 16 Ca 0.06 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 2qas h MET 16 Cb 0.81 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 2qas h MET 16 CO 0.07 0.40 -0.56 0.00 1.06 0.00 0.00 176.91 177.88 2qas h ALA 17 N 1.62 0.98 -0.09 6.32 0.00 -0.85 -1.55 119.26 125.68 2qas h ALA 17 Ca 0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2qas h ALA 17 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qas h ALA 17 CO 0.03 0.70 -0.03 0.37 0.00 0.00 0.00 179.25 180.32 2qas h GLN 18 N 0.11 0.18 -0.27 0.00 5.75 -0.80 -1.89 115.11 118.19 2qas h GLN 18 Ca -0.00 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 2qas h GLN 18 Cb 1.02 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 2qas h GLN 18 CO 0.08 0.51 0.11 -0.44 -2.65 0.00 0.00 178.83 176.45 2qas h ASP 19 N -0.17 0.37 -0.83 -0.69 3.32 -1.37 -2.11 116.42 114.94 2qas h ASP 19 Ca 0.02 -0.16 0.15 0.00 0.02 0.00 0.00 57.03 57.06 2qas h ASP 19 Cb 0.45 -0.10 -0.10 0.00 0.22 0.00 0.00 39.33 39.81 2qas h ASP 19 CO 0.01 0.43 0.39 0.00 -1.72 0.00 0.00 179.24 178.35 2qas h ALA 20 N 0.96 1.23 0.00 3.45 0.00 -1.25 -0.92 119.26 122.72 2qas h ALA 20 Ca 0.09 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2qas h ALA 20 Cb 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2qas h ALA 20 CO -0.01 -0.15 -0.25 -0.07 0.00 0.00 0.00 179.25 178.77 2qas h LEU 21 N 0.55 0.00 -2.11 0.00 3.38 -0.86 -2.44 115.31 113.84 2qas h LEU 21 Ca 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.42 2qas h LEU 21 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2qas h LEU 21 CO -0.39 0.25 -0.06 0.03 0.09 0.00 0.00 178.44 178.36 2qas h ARG 22 N 0.00 0.00 0.00 1.13 3.08 -0.51 -0.78 114.38 117.30 2qas h ARG 22 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qas h ARG 22 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 2qas h ARG 22 CO 0.03 0.06 -0.00 0.78 -1.07 0.00 0.00 179.97 179.77 2qas h GLY 23 N 0.29 0.00 1.58 0.04 0.00 -1.38 -1.52 103.07 102.09 2qas h GLY 23 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2qas h GLY 23 CO 0.01 0.00 -0.65 -2.08 0.00 0.00 0.00 176.54 173.82 2qas h VAL 24 N 0.00 1.36 -0.18 4.60 2.07 -1.29 -1.45 116.25 121.36 2qas h VAL 24 Ca -0.00 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.52 2qas h VAL 24 Cb 0.19 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2qas h VAL 24 CO 0.00 0.60 0.06 0.58 0.02 0.00 0.00 177.57 178.84 2qas h VAL 25 N 0.31 1.18 -0.91 2.57 2.07 -1.39 0.47 116.25 120.54 2qas h VAL 25 Ca -0.01 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 66.97 2qas h VAL 25 Cb 1.20 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 2qas h VAL 25 CO 0.11 0.17 0.60 0.50 0.02 0.00 0.00 177.57 178.98 2qas h LYS 26 N 0.13 1.19 -0.20 1.57 3.64 -1.42 0.57 116.57 122.06 2qas h LYS 26 Ca 0.06 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 2qas h LYS 26 Cb 0.21 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2qas h LYS 26 CO -0.00 0.79 -0.45 0.00 -2.27 0.00 0.00 179.45 177.52 2qas h ALA 27 N 1.34 0.87 -0.43 5.00 0.00 -1.00 -2.44 119.26 122.59 2qas h ALA 27 Ca 0.34 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2qas h ALA 27 Cb -0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2qas h ALA 27 CO -0.08 0.65 -0.26 0.00 0.00 0.00 0.00 179.25 179.57 2qas h ALA 28 N 1.13 0.73 0.00 0.00 0.00 -0.31 -2.72 119.26 118.08 2qas h ALA 28 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2qas h ALA 28 Cb 0.94 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2qas h ALA 28 CO 0.08 0.66 -0.04 -0.07 0.00 0.00 0.00 179.25 179.89 2qas h LEU 29 N 0.78 0.00 -0.03 0.00 3.38 -0.75 -1.98 115.31 116.71 2qas h LEU 29 Ca 0.09 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 2qas h LEU 29 Cb 0.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2qas h LEU 29 CO 0.07 0.04 -1.00 0.11 0.09 0.00 0.00 178.44 177.75 2qas h LYS 30 N 0.00 0.03 -0.02 1.13 1.57 -1.13 -1.52 116.57 116.64 2qas h LYS 30 Ca -0.00 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 2qas h LYS 30 Cb 0.47 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2qas h LYS 30 CO 0.00 1.00 -0.78 0.87 -0.57 0.00 0.00 179.45 179.98 2qas h LYS 31 N 0.01 0.17 0.00 3.15 1.57 -1.29 -2.76 116.57 117.42 2qas h LYS 31 Ca -0.02 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 2qas h LYS 31 Cb 1.75 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 2qas h LYS 31 CO 0.13 0.86 -0.42 0.00 -0.57 0.00 0.00 179.45 179.46 2qas h ALA 32 N 1.09 0.87 0.00 3.86 0.00 -1.30 -2.84 119.26 120.94 2qas h ALA 32 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2qas h ALA 32 Cb 1.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2qas h ALA 32 CO 0.12 0.52 -0.24 0.00 0.00 0.00 0.00 179.25 179.64 2qas n ALA 33 N -2.27 2.92 -1.81 0.00 0.00 -0.58 -4.28 120.51 114.49 2qas n ALA 33 Ca 0.01 -0.22 -0.41 0.00 0.00 0.00 0.00 53.44 52.82 2qas n ALA 33 Cb 0.59 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 2qas n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qas s ALA 34 N -3.00 3.53 -0.23 0.00 0.00 -1.05 -4.86 121.76 116.14 2qas s ALA 34 Ca 0.12 1.28 -0.37 0.00 0.00 0.00 0.00 51.96 53.00 2qas s ALA 34 Cb 0.18 -3.50 -0.13 0.00 0.00 0.00 0.00 23.12 19.66 2qas s ALA 34 CO 0.61 -0.68 1.89 -0.35 0.00 0.00 0.00 175.76 177.23 2qas n PRO 35 N 1.26 1.49 0.00 0.00 -0.04 -1.26 0.24 135.00 136.70 2qas n PRO 35 Ca 0.02 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 2qas n PRO 35 Cb 0.41 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 2qas n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qas n GLY 36 N 4.77 2.04 7.00 0.55 0.00 -1.26 -5.05 105.19 113.24 2qas n GLY 36 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2qas n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qas n GLY 37 N -0.44 -1.02 3.79 -0.02 0.00 0.14 -4.88 105.19 102.76 2qas n GLY 37 Ca 0.00 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 2qas n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qas s LEU 38 N 0.00 3.51 -0.45 0.99 1.43 -1.26 -4.68 118.68 118.22 2qas s LEU 38 Ca 0.00 1.90 -0.29 0.00 -1.03 0.00 0.00 54.13 54.71 2qas s LEU 38 Cb 0.00 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.70 2qas s LEU 38 CO 0.00 -1.28 1.13 -2.16 0.23 0.00 0.00 176.35 174.27 2qas s PRO 39 N -3.97 3.79 0.66 1.29 0.04 -1.26 -4.89 135.00 130.66 2qas s PRO 39 Ca 0.65 0.66 -0.17 0.00 0.04 0.00 0.00 61.00 62.18 2qas s PRO 39 Cb -0.18 -3.88 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 2qas s PRO 39 CO 0.36 -1.29 0.82 -0.85 0.04 0.00 0.00 177.00 176.08 2qas n GLU 40 N 7.66 0.59 -0.22 4.56 0.00 -1.26 -2.06 120.64 129.91 2qas n GLU 40 Ca 0.12 0.25 0.02 0.00 0.00 0.00 0.00 57.16 57.55 2qas n GLU 40 Cb 0.49 -2.06 0.11 0.00 0.00 0.00 0.00 31.44 29.97 2qas n GLU 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2qas n PRO 41 N -1.13 1.98 -1.94 3.44 -0.04 -1.26 -5.11 135.00 130.94 2qas n PRO 41 Ca 0.13 -0.83 -0.42 0.00 -0.04 0.00 0.00 63.50 62.34 2qas n PRO 41 Cb 0.49 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 2qas n PRO 41 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2qas s HIS 42 N -1.51 2.98 0.07 0.54 3.76 -0.87 -4.71 115.29 115.56 2qas s HIS 42 Ca 0.15 0.85 -0.13 0.00 -0.15 0.00 0.00 55.06 55.78 2qas s HIS 42 Cb 0.11 -3.90 0.02 0.00 1.11 0.00 0.00 32.58 29.91 2qas s HIS 42 CO 0.05 -3.08 0.29 -3.38 -0.85 0.00 0.00 174.74 167.76 2qas s HIS 43 N 0.36 -0.04 0.09 1.40 -3.43 -1.26 -4.70 115.29 107.72 2qas s HIS 43 Ca 0.63 -0.22 0.10 0.00 -0.80 0.00 0.00 55.06 54.78 2qas s HIS 43 Cb -0.44 0.08 -0.04 0.00 -1.43 0.00 0.00 32.58 30.76 2qas s HIS 43 CO 0.40 -0.55 -0.26 -0.51 -2.00 0.00 0.00 174.74 171.81 2qas s LEU 44 N -2.46 2.26 -0.23 5.38 1.43 -0.67 -4.26 118.68 120.12 2qas s LEU 44 Ca -0.00 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 2qas s LEU 44 Cb 0.01 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 45.04 2qas s LEU 44 CO -0.07 0.21 -0.12 -0.31 0.23 0.00 0.00 176.35 176.28 2qas s TYR 45 N -0.96 3.04 -0.16 0.29 1.51 -0.07 -0.13 117.35 120.87 2qas s TYR 45 Ca 0.13 -1.83 -0.02 0.00 -1.01 0.00 0.00 57.07 54.34 2qas s TYR 45 Cb -0.10 -1.97 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 2qas s TYR 45 CO 0.04 -0.80 -0.08 0.42 -1.11 0.00 0.00 175.55 174.02 2qas s ILE 46 N 1.24 3.40 -0.08 2.71 -1.09 -0.28 -1.92 121.20 125.17 2qas s ILE 46 Ca -0.01 -0.52 0.03 0.00 -2.23 0.00 0.00 60.65 57.92 2qas s ILE 46 Cb -0.17 -2.48 -0.01 0.00 -1.58 0.00 0.00 42.46 38.23 2qas s ILE 46 CO -0.07 0.49 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.05 2qas s THR 47 N 0.59 2.63 0.10 2.92 2.01 -0.67 -0.91 115.64 122.31 2qas s THR 47 Ca -0.05 -0.85 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 2qas s THR 47 Cb -0.15 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 2qas s THR 47 CO 0.03 0.56 0.11 0.72 -0.69 0.00 0.00 174.62 175.35 2qas s PHE 48 N -0.08 0.51 -0.35 4.92 -0.71 -0.43 -1.00 117.98 120.83 2qas s PHE 48 Ca -0.04 -0.94 -0.26 0.00 -1.04 0.00 0.00 56.93 54.65 2qas s PHE 48 Cb -0.14 -0.27 0.01 0.00 -1.21 0.00 0.00 43.02 41.41 2qas s PHE 48 CO 0.04 -0.53 0.93 0.21 -1.34 0.00 0.00 175.22 174.53 2qas s LYS 49 N -3.95 3.88 0.40 1.99 2.47 -0.81 -1.45 119.74 122.27 2qas s LYS 49 Ca 0.13 0.64 0.06 0.00 -1.56 0.00 0.00 55.97 55.25 2qas s LYS 49 Cb 0.06 -3.79 0.82 0.00 -1.46 0.00 0.00 37.83 33.47 2qas s LYS 49 CO -0.05 -0.91 2.05 1.15 0.16 0.00 0.00 175.35 177.75 2qas h THR 50 N 5.78 1.12 0.00 3.43 2.02 0.19 -2.73 112.91 122.73 2qas h THR 50 Ca -0.23 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2qas h THR 50 Cb 1.08 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2qas h THR 50 CO 0.98 0.11 -0.47 0.29 0.37 0.00 0.00 175.52 176.80 2qas n LYS 51 N -4.47 0.04 -1.55 6.66 5.02 -1.26 -4.83 118.16 117.77 2qas n LYS 51 Ca 0.04 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.91 2qas n LYS 51 Cb 0.06 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 2qas n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qas n ALA 52 N -1.55 -0.53 -0.93 7.82 0.00 -1.03 -4.88 120.51 119.42 2qas n ALA 52 Ca 0.05 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.45 2qas n ALA 52 Cb 0.35 -1.96 0.14 0.00 0.00 0.00 0.00 19.45 17.98 2qas n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qas s ALA 53 N -1.24 1.72 0.00 0.00 0.00 -1.26 -3.21 121.76 117.76 2qas s ALA 53 Ca 0.62 0.65 0.00 0.00 0.00 0.00 0.00 51.96 53.23 2qas s ALA 53 Cb -0.63 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.05 2qas s ALA 53 CO 0.58 -2.45 0.00 0.41 0.00 0.00 0.00 175.76 174.30 2qas n GLY 54 N 0.14 3.11 3.75 0.00 0.00 -1.26 -4.82 105.19 106.11 2qas n GLY 54 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2qas n GLY 54 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qas s VAL 55 N -1.56 4.89 0.09 1.61 -7.23 -1.20 -4.63 120.40 112.37 2qas s VAL 55 Ca 0.00 1.36 0.06 0.00 -1.81 0.00 0.00 61.98 61.60 2qas s VAL 55 Cb 0.00 -3.99 -0.03 0.00 0.56 0.00 0.00 36.38 32.92 2qas s VAL 55 CO 0.00 0.38 -0.16 -0.94 -0.31 0.00 0.00 175.10 174.07 2qas s SER 56 N -0.01 1.99 -0.06 4.85 1.04 -1.03 -5.00 113.70 115.49 2qas s SER 56 Ca 0.34 -0.66 -0.31 0.00 0.48 0.00 0.00 55.95 55.79 2qas s SER 56 Cb -0.19 -0.08 0.12 0.00 0.10 0.00 0.00 66.02 65.98 2qas s SER 56 CO 0.19 -0.04 1.36 -0.83 0.98 0.00 0.00 173.24 174.89 2qas s GLY 57 N -1.88 -0.36 0.27 7.32 0.00 -1.26 -2.12 107.32 109.28 2qas s GLY 57 Ca 0.02 0.58 -0.30 0.00 0.00 0.00 0.00 44.72 45.01 2qas s GLY 57 CO 0.03 2.34 1.45 -1.05 0.00 0.00 0.00 173.10 175.86 2qas n PRO 58 N -0.66 2.26 -0.32 2.90 -0.02 -1.26 -4.82 135.00 133.08 2qas n PRO 58 Ca -0.04 0.80 0.05 0.00 -2.02 0.00 0.00 63.50 62.29 2qas n PRO 58 Cb 0.62 -2.48 0.20 0.00 -0.02 0.00 0.00 33.50 31.82 2qas n PRO 58 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2qas h GLN 59 N 4.09 0.81 0.10 -0.52 4.15 -1.99 -1.52 115.11 120.23 2qas h GLN 59 Ca -0.46 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.91 2qas h GLN 59 Cb 1.26 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 2qas h GLN 59 CO 0.74 0.54 -0.08 0.38 -1.93 0.00 0.00 178.83 178.48 2qas h ASP 60 N 0.83 -0.22 0.13 -0.69 2.03 -2.00 -2.15 116.42 114.36 2qas h ASP 60 Ca 0.45 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.77 2qas h ASP 60 Cb 0.46 0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 39.03 2qas h ASP 60 CO -0.27 -0.13 -0.11 0.25 -1.03 0.00 0.00 179.24 177.95 2qas h LEU 61 N -0.19 -0.28 -1.29 0.15 5.85 -1.78 -2.77 115.31 115.00 2qas h LEU 61 Ca -0.00 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.85 2qas h LEU 61 Cb 0.18 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 2qas h LEU 61 CO -0.01 -0.17 0.55 -0.07 -0.34 0.00 0.00 178.44 178.40 2qas h LEU 62 N -0.25 0.70 -1.50 2.25 3.38 -1.25 -0.99 115.31 117.66 2qas h LEU 62 Ca -0.00 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2qas h LEU 62 Cb 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2qas h LEU 62 CO -0.01 0.40 -0.26 0.28 0.09 0.00 0.00 178.44 178.94 2qas h SER 63 N 0.77 0.00 0.45 -0.43 0.02 -1.12 -2.51 113.55 110.73 2qas h SER 63 Ca 0.40 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.23 2qas h SER 63 Cb 0.50 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2qas h SER 63 CO -0.17 0.26 -0.53 0.50 -1.14 0.00 0.00 176.83 175.75 2qas h LYS 64 N 0.00 0.09 -3.31 3.45 3.64 -0.97 -3.36 116.57 116.11 2qas h LYS 64 Ca -0.00 -0.05 -0.66 0.00 -1.27 0.00 0.00 60.65 58.66 2qas h LYS 64 Cb 0.49 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 31.93 2qas h LYS 64 CO 0.03 0.60 -0.43 0.71 -2.27 0.00 0.00 179.45 178.09 2qas s TYR 65 N -3.85 3.52 0.13 1.91 2.02 -0.94 -5.00 117.35 115.14 2qas s TYR 65 Ca -0.03 -3.10 -0.32 0.00 -0.37 0.00 0.00 57.07 53.26 2qas s TYR 65 Cb 0.13 -2.96 -0.10 0.00 -0.40 0.00 0.00 41.96 38.63 2qas s TYR 65 CO 0.76 -0.70 1.53 -1.00 -1.57 0.00 0.00 175.55 174.57 2qas h PRO 66 N 6.14 -0.31 0.00 -1.71 0.13 -1.73 -3.42 132.00 131.10 2qas h PRO 66 Ca 0.06 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2qas h PRO 66 Cb 0.84 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2qas h PRO 66 CO 0.74 -0.21 -0.17 -0.40 -0.23 0.00 0.00 178.00 177.74 2qas n ASP 67 N -5.26 0.74 -4.91 1.44 3.85 -1.26 -4.25 116.55 106.89 2qas n ASP 67 Ca -0.03 0.11 -0.29 0.00 -0.71 0.00 0.00 54.79 53.87 2qas n ASP 67 Cb 0.32 -0.32 -0.04 0.00 -1.35 0.00 0.00 41.12 39.73 2qas n ASP 67 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 2qas s GLU 68 N -1.69 3.57 -0.22 0.11 0.41 -1.26 0.20 118.70 119.82 2qas s GLU 68 Ca -0.05 -0.19 -0.11 0.00 -0.41 0.00 0.00 54.97 54.21 2qas s GLU 68 Cb 0.01 -2.83 0.08 0.00 -1.78 0.00 0.00 34.13 29.61 2qas s GLU 68 CO 0.07 0.42 0.52 1.41 -0.49 0.00 0.00 175.26 177.19 2qas s MET 69 N -3.02 0.50 -0.03 1.61 -2.45 -0.53 -4.82 119.30 110.56 2qas s MET 69 Ca 0.40 1.03 0.00 0.00 -1.25 0.00 0.00 55.69 55.87 2qas s MET 69 Cb -0.12 0.16 -0.03 0.00 1.25 0.00 0.00 34.83 36.09 2qas s MET 69 CO 0.27 -0.17 0.00 0.99 1.05 0.00 0.00 175.02 177.16 2qas s THR 70 N 1.77 4.24 0.06 10.11 2.01 -1.26 -1.32 115.64 131.26 2qas s THR 70 Ca -0.08 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 61.51 2qas s THR 70 Cb -0.08 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 2qas s THR 70 CO -0.16 0.46 -0.13 0.27 -0.69 0.00 0.00 174.62 174.38 2qas s ILE 71 N -1.01 1.02 -0.07 1.82 -4.36 -0.09 -4.98 121.20 113.52 2qas s ILE 71 Ca 0.17 -1.23 0.04 0.00 -0.26 0.00 0.00 60.65 59.36 2qas s ILE 71 Cb -0.11 -0.99 -0.02 0.00 1.25 0.00 0.00 42.46 42.59 2qas s ILE 71 CO 0.07 -0.23 -0.18 0.54 0.24 0.00 0.00 174.94 175.38 2qas s VAL 72 N -1.24 2.65 -0.47 8.37 0.11 -1.26 -1.13 120.40 127.44 2qas s VAL 72 Ca -0.03 -0.85 -0.03 0.00 -2.93 0.00 0.00 61.98 58.14 2qas s VAL 72 Cb -0.10 -2.03 0.12 0.00 -1.53 0.00 0.00 36.38 32.84 2qas s VAL 72 CO 0.02 0.57 0.27 -0.76 -3.33 0.00 0.00 175.10 171.86 2qas s LEU 73 N -0.22 5.25 0.00 2.54 1.43 0.82 -4.82 118.68 123.69 2qas s LEU 73 Ca -0.01 -2.25 0.00 0.00 -1.03 0.00 0.00 54.13 50.84 2qas s LEU 73 Cb -0.13 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.25 2qas s LEU 73 CO 0.03 -0.50 0.00 1.67 0.23 0.00 0.00 176.35 177.78 2qas n GLN 74 N 4.30 0.00 0.01 1.70 7.27 -1.26 -1.68 117.38 127.72 2qas n GLN 74 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.14 2qas n GLN 74 Cb 0.40 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.94 2qas n GLN 74 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2qas n HIS 75 N -1.09 0.36 -3.53 3.69 8.25 -1.26 -4.81 115.22 116.83 2qas n HIS 75 Ca 0.00 0.11 -0.28 0.00 -0.26 0.00 0.00 57.72 57.29 2qas n HIS 75 Cb 0.00 -0.75 -0.11 0.00 1.12 0.00 0.00 29.99 30.25 2qas n HIS 75 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2qas s GLN 76 N -3.28 1.07 -0.16 -0.41 -0.21 -1.26 -5.07 119.66 110.34 2qas s GLN 76 Ca -0.06 -2.04 -0.21 0.00 0.02 0.00 0.00 55.36 53.07 2qas s GLN 76 Cb 0.11 -1.79 0.05 0.00 1.00 0.00 0.00 33.01 32.38 2qas s GLN 76 CO 0.86 -1.29 0.55 1.52 -2.12 0.00 0.00 175.29 174.81 2qas s TYR 77 N 0.18 -0.57 0.09 0.91 1.13 -1.26 -4.48 117.35 113.35 2qas s TYR 77 Ca 0.25 1.31 0.03 0.00 -1.41 0.00 0.00 57.07 57.26 2qas s TYR 77 Cb -0.09 0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.96 2qas s TYR 77 CO -0.11 -0.35 -0.09 -1.58 -2.51 0.00 0.00 175.55 170.91 2qas s TRP 78 N -0.11 0.99 -1.42 -3.49 0.51 -0.47 -4.89 118.94 110.07 2qas s TRP 78 Ca -0.03 -0.70 -0.05 0.00 -2.12 0.00 0.00 56.10 53.19 2qas s TRP 78 Cb -0.03 -0.55 0.00 0.00 -0.81 0.00 0.00 33.47 32.08 2qas s TRP 78 CO 0.03 -0.04 0.31 -0.25 -0.51 0.00 0.00 176.95 176.49 2qas n ASP 79 N 0.48 -0.56 -4.66 2.95 8.00 -1.26 -1.58 116.55 119.91 2qas n ASP 79 Ca -0.16 -1.14 -0.42 0.00 0.71 0.00 0.00 54.79 53.78 2qas n ASP 79 Cb 0.58 -2.39 -0.03 0.00 -0.02 0.00 0.00 41.12 39.27 2qas n ASP 79 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qas s LEU 80 N -7.14 4.30 -0.45 0.64 2.96 -1.26 -4.46 118.68 113.28 2qas s LEU 80 Ca 0.08 2.15 0.03 0.00 -0.22 0.00 0.00 54.13 56.17 2qas s LEU 80 Cb -0.04 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.24 2qas s LEU 80 CO 0.94 -0.88 0.21 0.00 -1.32 0.00 0.00 176.35 175.29 2qas s ALA 81 N 3.76 2.65 -0.71 5.97 0.00 0.05 -4.78 121.76 128.69 2qas s ALA 81 Ca 0.70 -2.77 -0.23 0.00 0.00 0.00 0.00 51.96 49.65 2qas s ALA 81 Cb -0.32 -1.98 0.06 0.00 0.00 0.00 0.00 23.12 20.89 2qas s ALA 81 CO 0.27 -1.96 1.08 -1.25 0.00 0.00 0.00 175.76 173.90 2qas s PRO 82 N 0.29 3.18 0.14 0.00 0.04 -1.26 -1.87 135.00 135.52 2qas s PRO 82 Ca 0.16 -0.75 -0.02 0.00 0.04 0.00 0.00 61.00 60.42 2qas s PRO 82 Cb -0.24 -4.31 0.03 0.00 0.04 0.00 0.00 34.50 30.03 2qas s PRO 82 CO -0.03 -1.92 0.13 0.41 0.04 0.00 0.00 177.00 175.63 2qas n GLY 83 N 5.42 -2.15 0.12 0.56 0.00 0.63 -4.96 105.19 104.81 2qas n GLY 83 Ca 0.01 -1.51 0.02 0.00 0.00 0.00 0.00 46.02 44.54 2qas n GLY 83 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qas h GLU 84 N 0.00 0.00 0.00 1.61 4.39 -2.01 -3.37 114.58 115.19 2qas h GLU 84 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2qas h GLU 84 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2qas h GLU 84 CO 0.03 0.43 -0.69 0.25 -1.16 0.00 0.00 179.01 177.87 2qas n THR 85 N -3.12 0.00 -3.56 1.13 -2.24 -1.26 -5.01 114.28 100.22 2qas n THR 85 Ca -0.01 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 2qas n THR 85 Cb 0.76 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 2qas n THR 85 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2qas s PHE 86 N -1.91 -0.42 0.10 4.78 -0.12 -1.26 -2.46 117.98 116.70 2qas s PHE 86 Ca 0.00 0.13 0.07 0.00 -0.05 0.00 0.00 56.93 57.09 2qas s PHE 86 Cb 0.04 0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 43.00 2qas s PHE 86 CO 0.24 -0.96 -0.17 -0.59 -0.05 0.00 0.00 175.22 173.69 2qas s PHE 87 N -3.77 1.56 0.09 3.49 -0.71 0.08 -0.27 117.98 118.45 2qas s PHE 87 Ca 0.04 -0.46 0.07 0.00 -1.04 0.00 0.00 56.93 55.54 2qas s PHE 87 Cb -0.03 -0.84 -0.03 0.00 -1.21 0.00 0.00 43.02 40.91 2qas s PHE 87 CO -0.07 0.17 -0.18 -1.54 -1.34 0.00 0.00 175.22 172.26 2qas s SER 88 N -2.04 2.13 0.06 1.98 1.04 -0.78 0.12 113.70 116.20 2qas s SER 88 Ca 0.05 -0.66 -0.18 0.00 0.48 0.00 0.00 55.95 55.65 2qas s SER 88 Cb -0.09 -0.10 0.04 0.00 0.10 0.00 0.00 66.02 65.97 2qas s SER 88 CO 0.04 -0.01 0.42 -0.69 0.98 0.00 0.00 173.24 173.98 2qas s VAL 89 N -1.22 0.06 -0.18 5.02 1.01 -0.19 -0.77 120.40 124.11 2qas s VAL 89 Ca 0.03 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 2qas s VAL 89 Cb -0.10 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2qas s VAL 89 CO 0.03 -0.25 0.00 -0.89 0.00 0.00 0.00 175.10 173.99 2qas s THR 90 N -2.68 4.11 0.33 3.92 2.01 -0.62 -1.22 115.64 121.50 2qas s THR 90 Ca -0.04 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.72 2qas s THR 90 Cb -0.00 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 2qas s THR 90 CO -0.04 0.45 0.10 -0.76 -0.69 0.00 0.00 174.62 173.68 2qas s LEU 91 N 0.67 1.96 -0.07 4.42 1.43 -0.12 -1.36 118.68 125.61 2qas s LEU 91 Ca -0.00 -1.48 0.03 0.00 -1.03 0.00 0.00 54.13 51.65 2qas s LEU 91 Cb -0.14 -0.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.90 2qas s LEU 91 CO 0.02 -0.75 -0.17 -0.54 0.23 0.00 0.00 176.35 175.14 2qas s LYS 92 N -3.87 2.76 -0.19 1.70 1.02 -1.26 0.32 119.74 120.22 2qas s LYS 92 Ca 0.33 -0.75 -0.00 0.00 0.02 0.00 0.00 55.97 55.57 2qas s LYS 92 Cb 0.07 -2.39 0.05 0.00 -0.52 0.00 0.00 37.83 35.03 2qas s LYS 92 CO 0.15 0.45 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.91 2qas s PHE 93 N -0.28 1.98 -1.32 3.18 0.40 -0.35 -4.69 117.98 116.90 2qas s PHE 93 Ca 0.01 -1.35 -0.06 0.00 -0.60 0.00 0.00 56.93 54.93 2qas s PHE 93 Cb -0.13 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 41.98 2qas s PHE 93 CO 0.03 -0.69 1.11 0.41 0.70 0.00 0.00 175.22 176.78 2qas n GLY 94 N 4.80 -0.48 3.53 4.36 0.00 -1.26 -1.55 105.19 114.59 2qas n GLY 94 Ca -0.12 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2qas n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qas n GLY 95 N -1.72 0.84 3.55 -0.02 0.00 -1.26 -4.98 105.19 101.60 2qas n GLY 95 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 2qas n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qas s GLN 96 N -0.33 3.67 0.20 1.61 -1.52 -0.59 -5.02 119.66 117.68 2qas s GLN 96 Ca 0.00 -0.51 -0.30 0.00 -1.95 0.00 0.00 55.36 52.60 2qas s GLN 96 Cb 0.00 -3.75 -0.09 0.00 -0.22 0.00 0.00 33.01 28.95 2qas s GLN 96 CO 0.00 -0.35 1.35 -1.25 -0.25 0.00 0.00 175.29 174.78 2qas s PRO 97 N 1.75 4.36 0.02 2.91 0.04 -1.26 -1.21 135.00 141.61 2qas s PRO 97 Ca 0.07 2.11 -0.02 0.00 0.04 0.00 0.00 61.00 63.20 2qas s PRO 97 Cb -0.17 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 2qas s PRO 97 CO 0.11 -0.30 0.01 0.15 0.04 0.00 0.00 177.00 177.00 2qas s LYS 98 N -0.07 0.36 0.04 4.56 1.02 0.15 -4.96 119.74 120.84 2qas s LYS 98 Ca 0.58 -0.58 -0.05 0.00 0.02 0.00 0.00 55.97 55.94 2qas s LYS 98 Cb -0.38 0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.02 2qas s LYS 98 CO 0.39 -0.07 0.27 1.03 -0.92 0.00 0.00 175.35 176.05 2qas s ARG 99 N -1.53 3.55 0.01 1.68 1.81 -1.26 -0.95 118.95 122.26 2qas s ARG 99 Ca -0.15 -0.16 -0.01 0.00 -1.72 0.00 0.00 55.73 53.69 2qas s ARG 99 Cb -0.09 -3.03 -0.01 0.00 -0.45 0.00 0.00 34.95 31.37 2qas s ARG 99 CO -0.01 0.61 0.00 -0.51 -0.68 0.00 0.00 175.30 174.72 2qas s LEU 100 N -2.05 2.05 -0.10 2.53 1.43 -0.36 -4.27 118.68 117.91 2qas s LEU 100 Ca 0.31 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 2qas s LEU 100 Cb -0.13 0.12 0.02 0.00 0.03 0.00 0.00 46.19 46.23 2qas s LEU 100 CO 0.20 -0.16 -0.12 -0.44 0.23 0.00 0.00 176.35 176.05 2qas s SER 101 N -0.75 2.23 -0.07 2.29 0.01 -0.90 -1.02 113.70 115.48 2qas s SER 101 Ca -0.08 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.82 2qas s SER 101 Cb -0.05 -0.97 0.02 0.00 0.21 0.00 0.00 66.02 65.23 2qas s SER 101 CO -0.00 -0.02 -0.08 -0.69 0.41 0.00 0.00 173.24 172.86 2qas s VAL 102 N 1.13 0.87 0.48 3.43 1.01 0.12 -2.46 120.40 124.97 2qas s VAL 102 Ca -0.05 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 2qas s VAL 102 Cb -0.14 -0.85 -0.09 0.00 0.00 0.00 0.00 36.38 35.29 2qas s VAL 102 CO -0.03 0.31 0.99 -2.84 0.00 0.00 0.00 175.10 173.53 2qas s PRO 103 N 1.04 3.99 0.55 2.72 0.02 -1.26 -0.74 135.00 141.32 2qas s PRO 103 Ca -0.08 1.12 0.32 0.00 0.02 0.00 0.00 61.00 62.37 2qas s PRO 103 Cb -0.14 -2.14 1.56 0.00 0.02 0.00 0.00 34.50 33.80 2qas s PRO 103 CO -0.00 -0.24 2.08 1.88 -0.33 0.00 0.00 177.00 180.39 2qas h TYR 104 N 1.41 0.00 0.00 6.54 -1.99 -1.85 -1.65 116.97 119.43 2qas h TYR 104 Ca -0.48 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.18 2qas h TYR 104 Cb 1.19 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.91 2qas h TYR 104 CO 0.61 0.08 -0.31 0.00 -0.00 0.00 0.00 178.16 178.54 2qas h ALA 105 N 1.92 1.30 0.00 3.88 0.00 -1.91 -2.63 119.26 121.82 2qas h ALA 105 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qas h ALA 105 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2qas h ALA 105 CO 0.01 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.65 2qas h ALA 106 N 1.69 1.00 -2.84 0.00 0.00 -1.64 -3.46 119.26 114.00 2qas h ALA 106 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 2qas h ALA 106 Cb 0.62 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.54 2qas h ALA 106 CO 0.04 0.00 0.58 1.28 0.00 0.00 0.00 179.25 181.15 2qas n LEU 107 N -2.79 4.58 0.00 0.00 4.32 -1.00 -1.93 117.00 120.18 2qas n LEU 107 Ca 0.03 1.10 0.00 0.00 -0.02 0.00 0.00 56.01 57.12 2qas n LEU 107 Cb 0.41 -1.55 0.00 0.00 -1.62 0.00 0.00 43.42 40.67 2qas n LEU 107 CO 0.30 -0.47 -0.13 0.35 -1.22 0.00 0.00 177.39 176.22 2qas n THR 108 N -0.31 0.00 -3.60 -5.08 -2.24 -0.17 -4.36 114.28 98.52 2qas n THR 108 Ca 0.06 -0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.61 2qas n THR 108 Cb 0.41 0.50 -0.07 0.00 -2.10 0.00 0.00 70.33 69.07 2qas n THR 108 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2qas s ARG 109 N -0.65 0.89 -0.02 -0.78 3.52 -1.12 -1.48 118.95 119.31 2qas s ARG 109 Ca 0.00 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 2qas s ARG 109 Cb 0.00 0.42 0.02 0.00 -1.56 0.00 0.00 34.95 33.83 2qas s ARG 109 CO 0.00 -0.23 -0.00 0.12 -0.81 0.00 0.00 175.30 174.38 2qas s PHE 110 N -0.71 0.22 -0.19 5.12 5.36 -0.10 -1.68 117.98 126.00 2qas s PHE 110 Ca -0.08 0.01 -0.11 0.00 -0.96 0.00 0.00 56.93 55.79 2qas s PHE 110 Cb -0.02 -0.27 0.06 0.00 -0.34 0.00 0.00 43.02 42.45 2qas s PHE 110 CO 0.06 -0.07 0.46 -0.47 -1.46 0.00 0.00 175.22 173.73 2qas s TYR 111 N 0.60 -0.66 -0.43 10.12 5.04 -0.81 -0.19 117.35 131.02 2qas s TYR 111 Ca -0.06 1.41 0.04 0.00 -2.44 0.00 0.00 57.07 56.02 2qas s TYR 111 Cb -0.08 0.31 0.11 0.00 0.35 0.00 0.00 41.96 42.65 2qas s TYR 111 CO -0.01 -0.36 0.15 0.34 -1.34 0.00 0.00 175.55 174.33 2qas s ASP 112 N 1.31 4.50 0.54 4.32 -1.08 -0.33 -0.90 116.67 125.03 2qas s ASP 112 Ca -0.09 -2.56 0.38 0.00 -0.52 0.00 0.00 52.55 49.77 2qas s ASP 112 Cb -0.07 -1.59 1.57 0.00 -1.46 0.00 0.00 42.92 41.36 2qas s ASP 112 CO -0.12 -0.31 1.76 -0.65 0.52 0.00 0.00 175.17 176.37 2qas h PRO 113 N 7.08 0.02 -0.79 4.34 0.11 -1.85 -1.68 132.00 139.22 2qas h PRO 113 Ca -0.06 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.05 2qas h PRO 113 Cb 0.96 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.02 2qas h PRO 113 CO 0.60 0.01 0.52 0.77 -0.21 0.00 0.00 178.00 179.68 2qas h SER 114 N 0.02 0.92 0.00 -2.05 0.02 -1.86 -3.05 113.55 107.55 2qas h SER 114 Ca 0.64 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 2qas h SER 114 Cb 2.51 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.82 2qas h SER 114 CO -0.03 0.68 -0.06 1.33 -1.14 0.00 0.00 176.83 177.60 2qas n VAL 115 N -4.41 1.16 -4.04 2.27 0.24 -1.06 -5.00 118.33 107.49 2qas n VAL 115 Ca 0.09 -1.32 -0.33 0.00 -2.04 0.00 0.00 64.34 60.73 2qas n VAL 115 Cb 0.04 0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 32.61 2qas n VAL 115 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qas n GLN 116 N -0.79 -3.17 -3.28 7.34 6.02 -0.66 -4.93 117.38 117.91 2qas n GLN 116 Ca 0.07 0.38 -0.38 0.00 -0.01 0.00 0.00 57.00 57.05 2qas n GLN 116 Cb 0.50 -5.10 -0.06 0.00 1.02 0.00 0.00 30.24 26.60 2qas n GLN 116 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2qas s PHE 117 N -3.18 3.46 0.08 1.08 2.19 -1.12 -4.94 117.98 115.55 2qas s PHE 117 Ca 0.68 0.85 0.03 0.00 0.33 0.00 0.00 56.93 58.81 2qas s PHE 117 Cb -0.37 -2.60 -0.04 0.00 -1.31 0.00 0.00 43.02 38.70 2qas s PHE 117 CO 0.83 0.06 -0.08 0.00 1.83 0.00 0.00 175.22 177.86 2qas s ALA 118 N 1.03 0.93 -0.00 11.12 0.00 -1.26 -1.19 121.76 132.39 2qas s ALA 118 Ca 0.25 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 2qas s ALA 118 Cb -0.15 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 2qas s ALA 118 CO 0.10 -0.11 0.06 -0.51 0.00 0.00 0.00 175.76 175.30 2qas s LEU 119 N -2.49 1.84 -0.07 0.00 1.43 0.73 -4.97 118.68 115.14 2qas s LEU 119 Ca 0.04 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2qas s LEU 119 Cb -0.01 0.32 0.02 0.00 0.03 0.00 0.00 46.19 46.55 2qas s LEU 119 CO -0.02 -0.21 -0.07 -1.10 0.23 0.00 0.00 176.35 175.18 2qas s GLN 120 N -0.84 1.29 0.00 1.70 -0.21 -1.26 -0.93 119.66 119.42 2qas s GLN 120 Ca -0.09 -0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.06 2qas s GLN 120 Cb -0.06 -1.25 0.00 0.00 1.00 0.00 0.00 33.01 32.70 2qas s GLN 120 CO 0.00 -0.12 0.00 1.19 -2.12 0.00 0.00 175.29 174.24 2qas n PHE 121 N 4.34 -0.30 -0.73 0.91 3.01 -0.55 -4.73 117.46 119.41 2qas n PHE 121 Ca -0.19 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.24 2qas n PHE 121 Cb 0.51 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.97 2qas n PHE 121 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2qas n SER 122 N -1.18 -1.66 -4.04 4.37 2.88 -1.26 -4.77 113.62 107.96 2qas n SER 122 Ca 0.00 0.07 -0.33 0.00 -1.33 0.00 0.00 58.87 57.29 2qas n SER 122 Cb 0.00 -1.56 -0.13 0.00 -0.75 0.00 0.00 64.21 61.77 2qas n SER 122 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qas s ALA 123 N -0.89 3.12 -0.66 -1.46 0.00 -1.26 -4.94 121.76 115.66 2qas s ALA 123 Ca 0.00 -2.74 0.25 0.00 0.00 0.00 0.00 51.96 49.47 2qas s ALA 123 Cb 0.00 -2.20 0.87 0.00 0.00 0.00 0.00 23.12 21.79 2qas s ALA 123 CO 0.00 -1.82 1.76 -0.35 0.00 0.00 0.00 175.76 175.35 2qas n PRO 124 N 4.07 0.24 -0.22 0.00 -0.04 -1.26 -5.14 135.00 132.65 2qas n PRO 124 Ca 0.03 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2qas n PRO 124 Cb 0.40 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 2qas n PRO 124 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85