#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qs9 s PRO 4 N 0.00 4.38 -0.01 4.33 0.04 -1.26 -4.71 135.00 137.76 2qs9 s PRO 4 Ca 0.00 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.16 2qs9 s PRO 4 Cb 0.00 -3.23 -0.12 0.00 0.04 0.00 0.00 34.50 31.19 2qs9 s PRO 4 CO 0.00 -0.30 0.27 -1.13 0.04 0.00 0.00 177.00 175.87 2qs9 n SER 5 N 3.16 1.98 -3.81 6.66 3.41 0.19 -5.02 113.62 120.19 2qs9 n SER 5 Ca 0.08 -0.26 -0.07 0.00 -0.26 0.00 0.00 58.87 58.36 2qs9 n SER 5 Cb 0.43 1.26 -0.02 0.00 -0.26 0.00 0.00 64.21 65.62 2qs9 n SER 5 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2qs9 s LYS 6 N -2.33 1.63 0.05 4.33 -2.85 -1.21 -3.67 119.74 115.68 2qs9 s LYS 6 Ca -0.01 -0.89 0.08 0.00 -1.00 0.00 0.00 55.97 54.16 2qs9 s LYS 6 Cb 0.06 0.57 -0.03 0.00 -2.06 0.00 0.00 37.83 36.37 2qs9 s LYS 6 CO 0.37 -0.74 -0.23 0.00 0.10 0.00 0.00 175.35 174.85 2qs9 s ALA 7 N -3.77 1.97 -0.09 0.59 0.00 -0.24 -1.35 121.76 118.86 2qs9 s ALA 7 Ca 0.11 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2qs9 s ALA 7 Cb -0.05 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.70 2qs9 s ALA 7 CO 0.05 0.45 -0.12 0.08 0.00 0.00 0.00 175.76 176.22 2qs9 s VAL 8 N -0.82 1.23 -0.26 0.00 1.01 -0.23 -0.65 120.40 120.68 2qs9 s VAL 8 Ca 0.09 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 2qs9 s VAL 8 Cb -0.09 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2qs9 s VAL 8 CO 0.02 0.39 0.30 -0.63 0.00 0.00 0.00 175.10 175.18 2qs9 s ILE 9 N 1.06 5.24 -0.33 2.22 1.01 0.32 -0.32 121.20 130.40 2qs9 s ILE 9 Ca -0.06 0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.95 2qs9 s ILE 9 Cb -0.15 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.72 2qs9 s ILE 9 CO -0.02 0.22 0.11 -0.69 0.00 0.00 0.00 174.94 174.57 2qs9 s VAL 10 N 1.74 3.95 1.02 2.92 1.01 0.62 -4.50 120.40 127.16 2qs9 s VAL 10 Ca 0.13 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 2qs9 s VAL 10 Cb -0.15 -3.17 0.20 0.00 0.00 0.00 0.00 36.38 33.26 2qs9 s VAL 10 CO 0.09 -0.10 1.17 -2.16 0.00 0.00 0.00 175.10 174.10 2qs9 s PRO 11 N 1.46 0.21 0.91 2.72 0.04 -1.26 -0.76 135.00 138.31 2qs9 s PRO 11 Ca 0.00 0.02 -0.15 0.00 0.04 0.00 0.00 61.00 60.91 2qs9 s PRO 11 Cb -0.19 -1.76 0.16 0.00 0.04 0.00 0.00 34.50 32.75 2qs9 s PRO 11 CO 0.03 -2.77 1.26 0.20 0.04 0.00 0.00 177.00 175.76 2qs9 s GLY 12 N -4.16 1.70 0.68 0.56 0.00 -0.99 -2.69 107.32 102.43 2qs9 s GLY 12 Ca 0.69 -0.98 -0.11 0.00 0.00 0.00 0.00 44.72 44.31 2qs9 s GLY 12 CO 0.54 -0.31 1.07 0.54 0.00 0.00 0.00 173.10 174.94 2qs9 s ASN 13 N -4.73 5.62 0.00 1.64 2.20 -1.26 -4.75 114.94 113.65 2qs9 s ASN 13 Ca 0.69 1.28 0.00 0.00 -0.94 0.00 0.00 52.86 53.90 2qs9 s ASN 13 Cb -0.07 -2.17 0.00 0.00 -2.00 0.00 0.00 41.25 37.02 2qs9 s ASN 13 CO 0.52 -1.25 0.00 0.61 -2.94 0.00 0.00 177.10 174.04 2qs9 n GLY 14 N -2.76 3.12 0.00 0.45 0.00 -0.36 -4.92 105.19 100.71 2qs9 n GLY 14 Ca 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2qs9 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qs9 n GLY 15 N 0.00 2.60 3.72 -0.02 0.00 -1.25 -4.74 105.19 105.49 2qs9 n GLY 15 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2qs9 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qs9 s GLY 16 N -2.65 2.55 0.01 -0.02 0.00 -1.26 -4.91 107.32 101.04 2qs9 s GLY 16 Ca 0.00 1.05 -0.30 0.00 0.00 0.00 0.00 44.72 45.47 2qs9 s GLY 16 CO 0.00 1.48 1.44 -0.35 0.00 0.00 0.00 173.10 175.67 2qs9 s ASP 17 N -1.73 6.81 0.64 1.64 -1.08 -1.26 -4.89 116.67 116.81 2qs9 s ASP 17 Ca 0.78 2.17 0.31 0.00 -0.52 0.00 0.00 52.55 55.30 2qs9 s ASP 17 Cb -0.34 -2.56 1.69 0.00 -1.46 0.00 0.00 42.92 40.26 2qs9 s ASP 17 CO 0.44 -0.75 1.99 1.62 0.52 0.00 0.00 175.17 178.99 2qs9 h VAL 18 N 4.90 0.12 -0.00 1.11 3.04 -1.91 -1.25 116.25 122.27 2qs9 h VAL 18 Ca -0.39 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2qs9 h VAL 18 Cb 1.18 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2qs9 h VAL 18 CO 0.91 0.00 -0.63 0.35 -1.01 0.00 0.00 177.57 177.19 2qs9 n THR 19 N -3.17 0.00 0.45 3.17 -2.24 -1.26 -4.09 114.28 107.15 2qs9 n THR 19 Ca 0.00 -0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2qs9 n THR 19 Cb 0.39 0.45 0.01 0.00 -2.10 0.00 0.00 70.33 69.08 2qs9 n THR 19 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qs9 n THR 20 N -1.49 0.00 -4.10 4.28 -2.24 -0.48 -4.76 114.28 105.50 2qs9 n THR 20 Ca 0.05 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 2qs9 n THR 20 Cb 0.33 1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 69.61 2qs9 n THR 20 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2qs9 s HIS 21 N -1.26 0.59 0.00 4.78 -3.43 -1.21 -5.03 115.29 109.74 2qs9 s HIS 21 Ca 0.09 -1.10 0.00 0.00 -0.80 0.00 0.00 55.06 53.25 2qs9 s HIS 21 Cb 0.08 -0.41 0.00 0.00 -1.43 0.00 0.00 32.58 30.82 2qs9 s HIS 21 CO 0.23 -0.41 0.00 0.41 -2.00 0.00 0.00 174.74 172.97 2qs9 n GLY 22 N 0.07 0.04 1.03 -1.38 0.00 -1.26 -4.04 105.19 99.64 2qs9 n GLY 22 Ca -0.12 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.03 2qs9 n GLY 22 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2qs9 n TRP 23 N -0.20 0.30 -0.09 1.61 4.27 -0.76 -4.31 117.44 118.27 2qs9 n TRP 23 Ca 0.00 -0.15 -0.06 0.00 -3.89 0.00 0.00 57.50 53.40 2qs9 n TRP 23 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 2qs9 n TRP 23 CO 0.00 0.00 0.00 1.88 -2.29 0.00 0.00 177.69 177.28 2qs9 h TYR 24 N 4.30 -0.10 -0.38 -2.67 0.05 -1.83 -1.26 116.97 115.09 2qs9 h TYR 24 Ca 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 2qs9 h TYR 24 Cb 0.94 0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.75 2qs9 h TYR 24 CO 0.15 -0.10 0.19 0.78 -1.05 0.00 0.00 178.16 178.13 2qs9 h GLY 25 N 0.04 0.59 0.91 3.88 0.00 -1.81 -1.20 103.07 105.48 2qs9 h GLY 25 Ca 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 2qs9 h GLY 25 CO -0.29 0.27 0.10 -0.25 0.00 0.00 0.00 176.54 176.37 2qs9 h TRP 26 N 0.48 0.47 -0.83 5.60 7.01 -1.74 -1.58 115.95 125.37 2qs9 h TRP 26 Ca 0.13 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 2qs9 h TRP 26 Cb 0.11 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 26.99 2qs9 h TRP 26 CO -0.02 0.48 0.40 0.28 -2.79 0.00 0.00 178.44 176.79 2qs9 h VAL 27 N 0.32 1.26 -0.05 2.65 2.07 -1.16 -0.51 116.25 120.83 2qs9 h VAL 27 Ca 0.10 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 2qs9 h VAL 27 Cb 0.23 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2qs9 h VAL 27 CO -0.00 0.31 0.03 0.50 0.02 0.00 0.00 177.57 178.43 2qs9 h LYS 28 N 1.18 0.07 -0.58 1.57 3.64 -1.02 -0.47 116.57 120.98 2qs9 h LYS 28 Ca 0.29 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.71 2qs9 h LYS 28 Cb 0.12 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 2qs9 h LYS 28 CO -0.04 0.08 0.31 -0.22 -2.27 0.00 0.00 179.45 177.32 2qs9 h LYS 29 N 0.04 0.58 -0.30 1.90 3.64 -0.93 -1.73 116.57 119.77 2qs9 h LYS 29 Ca 0.02 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2qs9 h LYS 29 Cb 0.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2qs9 h LYS 29 CO -0.00 0.39 0.02 0.93 -2.27 0.00 0.00 179.45 178.51 2qs9 h GLU 30 N 0.60 0.52 -0.15 1.90 4.39 -0.86 -3.04 114.58 117.94 2qs9 h GLU 30 Ca 0.25 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 2qs9 h GLU 30 Cb 0.13 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2qs9 h GLU 30 CO -0.15 0.65 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.11 2qs9 h LEU 31 N 0.33 0.24 -0.53 1.33 3.38 -0.87 -1.95 115.31 117.23 2qs9 h LEU 31 Ca 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qs9 h LEU 31 Cb 0.41 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2qs9 h LEU 31 CO 0.01 0.43 0.00 -0.62 0.09 0.00 0.00 178.44 178.35 2qs9 n GLU 32 N -4.24 0.13 0.18 1.13 1.02 -0.67 -1.60 120.64 116.60 2qs9 n GLU 32 Ca -0.01 0.39 0.14 0.00 -0.02 0.00 0.00 57.16 57.66 2qs9 n GLU 32 Cb 0.30 -1.76 0.47 0.00 -0.02 0.00 0.00 31.44 30.42 2qs9 n GLU 32 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2qs9 h LYS 33 N 0.00 0.00 -6.19 3.49 1.57 -1.30 -3.43 116.57 110.72 2qs9 h LYS 33 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2qs9 h LYS 33 Cb 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2qs9 h LYS 33 CO 0.00 0.00 0.96 0.42 -0.57 0.00 0.00 179.45 180.26 2qs9 s ILE 34 N -3.35 4.08 0.18 1.86 1.01 -0.63 -4.94 121.20 119.41 2qs9 s ILE 34 Ca 0.05 1.30 -0.33 0.00 0.00 0.00 0.00 60.65 61.67 2qs9 s ILE 34 Cb 0.09 -3.85 -0.13 0.00 0.01 0.00 0.00 42.46 38.58 2qs9 s ILE 34 CO 0.53 -0.13 1.65 -0.81 0.00 0.00 0.00 174.94 176.18 2qs9 n PRO 35 N 6.80 2.44 -0.95 2.79 -0.04 -1.26 -1.69 135.00 143.09 2qs9 n PRO 35 Ca 0.15 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.49 2qs9 n PRO 35 Cb 0.44 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 2qs9 n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qs9 n GLY 36 N 3.69 0.74 3.77 0.55 0.00 -1.26 -5.01 105.19 107.66 2qs9 n GLY 36 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2qs9 n GLY 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qs9 s PHE 37 N -3.12 3.24 0.15 1.61 5.36 -0.68 -4.95 117.98 119.59 2qs9 s PHE 37 Ca 0.00 0.15 0.06 0.00 -0.96 0.00 0.00 56.93 56.18 2qs9 s PHE 37 Cb 0.00 -1.69 -0.04 0.00 -0.34 0.00 0.00 43.02 40.95 2qs9 s PHE 37 CO 0.00 0.53 -0.13 -1.14 -1.46 0.00 0.00 175.22 173.02 2qs9 s GLN 38 N -1.95 1.10 -0.07 10.12 -0.44 -1.24 -4.62 119.66 122.57 2qs9 s GLN 38 Ca 0.25 -1.37 -0.02 0.00 -2.50 0.00 0.00 55.36 51.71 2qs9 s GLN 38 Cb -0.12 -0.88 0.03 0.00 -1.64 0.00 0.00 33.01 30.40 2qs9 s GLN 38 CO 0.16 0.15 0.05 0.00 0.50 0.00 0.00 175.29 176.16 2qs9 s LEU 40 N 2.11 4.43 -0.28 0.00 1.43 0.17 -4.97 118.68 121.56 2qs9 s LEU 40 Ca 0.04 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 53.93 2qs9 s LEU 40 Cb -0.13 -2.49 0.17 0.00 0.03 0.00 0.00 46.19 43.77 2qs9 s LEU 40 CO -0.04 0.33 0.48 0.00 0.23 0.00 0.00 176.35 177.34 2qs9 s ALA 41 N -1.12 -1.66 0.17 4.21 0.00 -1.26 -0.52 121.76 121.58 2qs9 s ALA 41 Ca 0.23 0.75 0.09 0.00 0.00 0.00 0.00 51.96 53.02 2qs9 s ALA 41 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 2qs9 s ALA 41 CO 0.12 -1.66 -0.18 0.15 0.00 0.00 0.00 175.76 174.19 2qs9 s LYS 42 N 2.66 1.29 0.00 0.00 1.02 -1.26 -4.93 119.74 118.52 2qs9 s LYS 42 Ca 0.12 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.67 2qs9 s LYS 42 Cb -0.12 -1.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.87 2qs9 s LYS 42 CO -0.26 0.26 0.00 0.09 -0.92 0.00 0.00 175.35 174.52 2qs9 n ASN 43 N 0.19 -1.01 -4.50 2.83 5.03 -1.26 -4.89 115.26 111.65 2qs9 n ASN 43 Ca -0.12 -0.15 -0.26 0.00 0.87 0.00 0.00 54.58 54.92 2qs9 n ASN 43 Cb 0.57 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.23 2qs9 n ASN 43 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2qs9 s PRO 45 N -1.95 1.79 -1.34 3.52 0.04 -1.26 -5.09 135.00 130.71 2qs9 s PRO 45 Ca 0.00 -1.45 -0.10 0.00 0.04 0.00 0.00 61.00 59.50 2qs9 s PRO 45 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2qs9 s PRO 45 CO 0.00 0.40 0.46 -3.47 0.04 0.00 0.00 177.00 174.44 2qs9 n ASP 46 N 0.02 -1.72 0.30 6.66 2.03 -1.26 -4.77 116.55 117.80 2qs9 n ASP 46 Ca -0.11 -1.10 0.17 0.00 0.52 0.00 0.00 54.79 54.27 2qs9 n ASP 46 Cb 0.56 -2.67 0.95 0.00 -0.72 0.00 0.00 41.12 39.25 2qs9 n ASP 46 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2qs9 h PRO 47 N -1.96 0.00 0.00 -0.67 0.13 -1.97 0.14 132.00 127.67 2qs9 h PRO 47 Ca -0.66 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2qs9 h PRO 47 Cb 1.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 2qs9 h PRO 47 CO 0.59 0.03 -0.09 0.82 -0.23 0.00 0.00 178.00 179.12 2qs9 h ILE 48 N 0.00 0.14 0.00 -3.56 1.08 -1.88 -0.95 117.51 112.34 2qs9 h ILE 48 Ca -0.00 -1.11 -0.12 0.00 -0.39 0.00 0.00 64.86 63.24 2qs9 h ILE 48 Cb 0.09 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.09 2qs9 h ILE 48 CO 0.00 0.05 -0.58 0.71 -0.69 0.00 0.00 178.15 177.64 2qs9 h THR 49 N -1.00 1.12 -6.28 -0.27 1.35 -1.92 -3.39 112.91 102.52 2qs9 h THR 49 Ca -0.00 -2.24 -0.47 0.00 -0.55 0.00 0.00 66.41 63.15 2qs9 h THR 49 Cb 0.16 2.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.88 2qs9 h THR 49 CO -0.00 0.57 -0.78 0.00 -0.25 0.00 0.00 175.52 175.06 2qs9 n ALA 50 N -2.30 -1.48 -1.66 6.62 0.00 0.04 -4.01 120.51 117.72 2qs9 n ALA 50 Ca 0.00 0.09 -0.47 0.00 0.00 0.00 0.00 53.44 53.07 2qs9 n ALA 50 Cb 0.69 -3.78 -0.04 0.00 0.00 0.00 0.00 19.45 16.32 2qs9 n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qs9 n ARG 51 N -4.58 2.02 -0.22 0.00 1.74 -1.26 -4.76 116.66 109.60 2qs9 n ARG 51 Ca -0.05 0.73 0.03 0.00 -0.77 0.00 0.00 57.85 57.79 2qs9 n ARG 51 Cb 0.56 -2.49 0.14 0.00 -1.02 0.00 0.00 32.46 29.66 2qs9 n ARG 51 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2qs9 h GLU 52 N 5.92 0.25 0.00 5.56 4.81 -1.08 0.11 114.58 130.15 2qs9 h GLU 52 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2qs9 h GLU 52 Cb 1.26 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2qs9 h GLU 52 CO 0.88 0.17 0.00 0.66 -0.73 0.00 0.00 179.01 179.99 2qs9 h SER 53 N 0.26 0.00 0.00 1.04 4.64 -1.90 -1.84 113.55 115.76 2qs9 h SER 53 Ca 0.36 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.35 2qs9 h SER 53 Cb 0.58 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.61 2qs9 h SER 53 CO -0.46 0.00 -2.18 -0.38 -0.87 0.00 0.00 176.83 172.94 2qs9 n ILE 54 N -2.43 1.17 -0.10 0.95 5.41 -0.10 -4.41 119.36 119.86 2qs9 n ILE 54 Ca -0.01 -0.38 -0.11 0.00 1.00 0.00 0.00 62.75 63.25 2qs9 n ILE 54 Cb 0.11 -1.47 -0.03 0.00 -0.71 0.00 0.00 39.64 37.54 2qs9 n ILE 54 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2qs9 h TRP 55 N -0.34 0.55 -0.48 1.39 4.06 -0.81 -2.77 115.95 117.54 2qs9 h TRP 55 Ca -0.50 -0.09 -0.00 0.00 2.06 0.00 0.00 58.89 60.37 2qs9 h TRP 55 Cb 1.60 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 29.60 2qs9 h TRP 55 CO -0.02 0.63 0.30 -0.07 -3.56 0.00 0.00 178.44 175.72 2qs9 h LEU 56 N 0.31 0.57 -0.91 -4.49 4.07 -1.57 -2.51 115.31 110.78 2qs9 h LEU 56 Ca 0.09 -0.05 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 2qs9 h LEU 56 Cb 0.40 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 2qs9 h LEU 56 CO 0.01 0.45 0.22 -0.65 -1.08 0.00 0.00 178.44 177.39 2qs9 h PRO 57 N 0.64 1.02 -1.64 1.13 0.11 -1.76 -2.19 132.00 129.30 2qs9 h PRO 57 Ca 0.17 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2qs9 h PRO 57 Cb -0.02 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.93 2qs9 h PRO 57 CO -0.03 0.86 0.00 0.34 -0.21 0.00 0.00 178.00 178.96 2qs9 n PHE 58 N -4.27 0.00 0.00 0.65 7.35 -0.95 -0.06 117.46 120.18 2qs9 n PHE 58 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 2qs9 n PHE 58 Cb 0.21 -0.08 0.00 0.00 0.35 0.00 0.00 39.48 39.96 2qs9 n PHE 58 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2qs9 n GLU 60 N 0.90 0.00 -0.03 -4.13 2.13 -0.83 -0.39 120.64 118.30 2qs9 n GLU 60 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 2qs9 n GLU 60 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 2qs9 n GLU 60 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2qs9 h THR 61 N 0.00 1.57 0.02 6.31 2.02 -0.75 -3.11 112.91 118.97 2qs9 h THR 61 Ca 0.00 -2.40 -0.33 0.00 0.77 0.00 0.00 66.41 64.45 2qs9 h THR 61 Cb 0.00 3.19 -0.05 0.00 -1.74 0.00 0.00 68.15 69.55 2qs9 h THR 61 CO 0.00 0.63 -1.94 -0.62 0.37 0.00 0.00 175.52 173.96 2qs9 n GLU 62 N -4.38 0.67 0.00 6.66 -0.58 0.47 -4.28 120.64 119.21 2qs9 n GLU 62 Ca -0.14 0.22 0.12 0.00 -0.42 0.00 0.00 57.16 56.94 2qs9 n GLU 62 Cb 0.65 -1.71 0.10 0.00 -0.57 0.00 0.00 31.44 29.91 2qs9 n GLU 62 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2qs9 n LEU 63 N -3.09 2.15 -4.07 -4.62 4.77 -0.60 -4.99 117.00 106.56 2qs9 n LEU 63 Ca -0.25 -0.75 -0.31 0.00 -0.03 0.00 0.00 56.01 54.67 2qs9 n LEU 63 Cb 1.07 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 42.13 2qs9 n LEU 63 CO 0.43 0.38 -0.08 1.41 -1.33 0.00 0.00 177.39 178.20 2qs9 n HIS 64 N 0.30 -1.80 -2.24 -1.77 8.25 -1.17 -4.89 115.22 111.90 2qs9 n HIS 64 Ca 0.12 0.80 -0.43 0.00 -0.26 0.00 0.00 57.72 57.94 2qs9 n HIS 64 Cb 0.48 -3.41 -0.02 0.00 1.12 0.00 0.00 29.99 28.16 2qs9 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qs9 n ASP 66 N 8.75 0.67 0.00 0.00 5.68 -1.26 -4.76 116.55 125.63 2qs9 n ASP 66 Ca 0.18 -0.45 0.02 0.00 -0.50 0.00 0.00 54.79 54.04 2qs9 n ASP 66 Cb 0.47 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.57 2qs9 n ASP 66 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2qs9 n GLU 67 N 0.00 0.04 -0.19 0.11 0.00 -0.87 -1.39 120.64 118.34 2qs9 n GLU 67 Ca 0.00 0.32 0.09 0.00 0.00 0.00 0.00 57.16 57.57 2qs9 n GLU 67 Cb 0.00 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 30.12 2qs9 n GLU 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2qs9 n LYS 68 N -1.39 1.89 -4.57 3.44 5.02 -1.26 -3.14 118.16 118.15 2qs9 n LYS 68 Ca 0.02 -2.63 -0.34 0.00 -2.02 0.00 0.00 58.31 53.33 2qs9 n LYS 68 Cb 0.05 -1.60 -0.11 0.00 -0.02 0.00 0.00 35.03 33.35 2qs9 n LYS 68 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2qs9 s THR 69 N -2.79 3.81 -0.33 -0.18 2.01 -0.48 -0.64 115.64 117.04 2qs9 s THR 69 Ca 0.34 -0.45 -0.10 0.00 0.31 0.00 0.00 61.69 61.79 2qs9 s THR 69 Cb 0.29 -2.57 0.01 0.00 0.01 0.00 0.00 72.50 70.24 2qs9 s THR 69 CO 0.05 0.59 0.16 -0.63 -0.69 0.00 0.00 174.62 174.10 2qs9 s ILE 70 N -0.84 4.47 -0.22 1.82 1.01 -0.45 -1.92 121.20 125.06 2qs9 s ILE 70 Ca 0.13 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 2qs9 s ILE 70 Cb -0.11 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2qs9 s ILE 70 CO 0.02 -0.04 0.39 -0.63 0.00 0.00 0.00 174.94 174.67 2qs9 s ILE 71 N 1.57 5.19 -0.39 2.92 1.01 0.04 -1.07 121.20 130.47 2qs9 s ILE 71 Ca 0.03 0.65 -0.10 0.00 0.00 0.00 0.00 60.65 61.24 2qs9 s ILE 71 Cb -0.18 -3.71 0.05 0.00 0.01 0.00 0.00 42.46 38.63 2qs9 s ILE 71 CO 0.06 0.22 0.22 -0.63 0.00 0.00 0.00 174.94 174.80 2qs9 s ILE 72 N 1.55 4.33 -0.12 2.92 1.01 0.56 -0.06 121.20 131.39 2qs9 s ILE 72 Ca 0.17 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 2qs9 s ILE 72 Cb -0.15 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 2qs9 s ILE 72 CO 0.08 -0.34 -0.09 -0.83 0.00 0.00 0.00 174.94 173.76 2qs9 s GLY 73 N 1.77 1.63 -0.23 6.18 0.00 -0.34 -0.28 107.32 116.05 2qs9 s GLY 73 Ca 0.02 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.83 2qs9 s GLY 73 CO 0.04 -0.26 -0.04 -1.58 0.00 0.00 0.00 173.10 171.27 2qs9 s HIS 74 N 0.11 2.98 0.00 1.90 2.46 0.06 -0.74 115.29 122.05 2qs9 s HIS 74 Ca -0.04 -0.96 0.00 0.00 0.47 0.00 0.00 55.06 54.53 2qs9 s HIS 74 Cb -0.14 -2.11 0.00 0.00 -0.13 0.00 0.00 32.58 30.19 2qs9 s HIS 74 CO 0.04 -0.55 0.00 0.45 -2.47 0.00 0.00 174.74 172.20 2qs9 n SER 75 N 4.80 0.00 -0.09 9.88 2.88 -0.04 -0.56 113.62 130.49 2qs9 n SER 75 Ca -0.18 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.47 2qs9 n SER 75 Cb 0.50 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.44 2qs9 n SER 75 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2qs9 h SER 76 N 0.00 0.41 0.53 -3.46 0.02 -1.86 0.13 113.55 109.31 2qs9 h SER 76 Ca 0.00 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 2qs9 h SER 76 Cb 0.00 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2qs9 h SER 76 CO 0.00 0.25 -0.28 1.23 -1.14 0.00 0.00 176.83 176.89 2qs9 h GLY 77 N 0.46 0.00 1.10 -3.77 0.00 -0.61 0.46 103.07 100.72 2qs9 h GLY 77 Ca 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.40 2qs9 h GLY 77 CO -0.08 0.00 -0.74 0.00 0.00 0.00 0.00 176.54 175.72 2qs9 h ALA 78 N 1.72 0.26 -0.46 3.60 0.00 -0.84 -0.92 119.26 122.62 2qs9 h ALA 78 Ca -0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 2qs9 h ALA 78 Cb 0.62 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2qs9 h ALA 78 CO 0.04 0.61 0.22 0.82 0.00 0.00 0.00 179.25 180.93 2qs9 h ILE 79 N 0.43 1.19 -0.86 0.00 1.08 -0.88 -2.64 117.51 115.82 2qs9 h ILE 79 Ca -0.06 -0.54 -0.02 0.00 -0.39 0.00 0.00 64.86 63.85 2qs9 h ILE 79 Cb 1.38 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 35.78 2qs9 h ILE 79 CO 0.15 0.21 0.46 0.00 -0.69 0.00 0.00 178.15 178.28 2qs9 h ALA 80 N 1.06 1.11 0.00 1.87 0.00 -0.86 -1.46 119.26 120.98 2qs9 h ALA 80 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qs9 h ALA 80 Cb 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2qs9 h ALA 80 CO -0.02 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2qs9 n ALA 81 N -2.40 1.50 0.00 0.00 0.00 -0.36 -0.54 120.51 118.72 2qs9 n ALA 81 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2qs9 n ALA 81 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2qs9 n ALA 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qs9 n ARG 83 N 0.63 0.00 -0.26 0.00 5.12 -0.55 -1.36 116.66 120.23 2qs9 n ARG 83 Ca 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 2qs9 n ARG 83 Cb 0.08 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.44 2qs9 n ARG 83 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 2qs9 h TYR 84 N 0.00 0.95 0.00 -1.55 3.20 -1.06 -1.67 116.97 116.83 2qs9 h TYR 84 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2qs9 h TYR 84 Cb 0.00 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 37.96 2qs9 h TYR 84 CO 0.00 0.62 0.00 0.00 -1.64 0.00 0.00 178.16 177.14 2qs9 n ALA 85 N -2.32 1.55 0.13 1.82 0.00 -0.47 -1.66 120.51 119.56 2qs9 n ALA 85 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2qs9 n ALA 85 Cb 0.04 -1.21 0.10 0.00 0.00 0.00 0.00 19.45 18.39 2qs9 n ALA 85 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qs9 h GLU 86 N 0.00 0.00 0.00 0.00 5.08 -1.58 -3.34 114.58 114.74 2qs9 h GLU 86 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qs9 h GLU 86 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2qs9 h GLU 86 CO 0.00 0.67 -0.07 0.25 -1.00 0.00 0.00 179.01 178.86 2qs9 n THR 87 N -3.56 1.07 -3.81 1.13 -2.24 -0.91 -4.81 114.28 101.14 2qs9 n THR 87 Ca -0.00 -1.21 -0.12 0.00 -2.27 0.00 0.00 64.05 60.44 2qs9 n THR 87 Cb 0.70 0.28 -0.12 0.00 -2.10 0.00 0.00 70.33 69.10 2qs9 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2qs9 s HIS 88 N -1.45 -0.19 -0.18 4.78 3.76 -0.67 -5.11 115.29 116.24 2qs9 s HIS 88 Ca 0.12 0.44 -0.24 0.00 -0.15 0.00 0.00 55.06 55.24 2qs9 s HIS 88 Cb 0.11 0.06 -0.02 0.00 1.11 0.00 0.00 32.58 33.84 2qs9 s HIS 88 CO 0.01 -0.14 0.77 1.03 -0.85 0.00 0.00 174.74 175.56 2qs9 s ARG 89 N -0.14 4.27 0.09 1.40 1.81 -1.26 -4.45 118.95 120.66 2qs9 s ARG 89 Ca -0.02 0.89 0.07 0.00 -1.72 0.00 0.00 55.73 54.95 2qs9 s ARG 89 Cb -0.02 -3.58 -0.03 0.00 -0.45 0.00 0.00 34.95 30.86 2qs9 s ARG 89 CO 0.01 -0.31 -0.18 0.54 -0.68 0.00 0.00 175.30 174.68 2qs9 s VAL 90 N 2.11 1.45 0.05 3.52 0.11 -0.34 -2.06 120.40 125.23 2qs9 s VAL 90 Ca 0.35 -1.48 -0.22 0.00 -2.93 0.00 0.00 61.98 57.70 2qs9 s VAL 90 Cb -0.16 -1.38 -0.14 0.00 -1.53 0.00 0.00 36.38 33.17 2qs9 s VAL 90 CO 0.11 -0.17 1.47 0.22 -3.33 0.00 0.00 175.10 173.41 2qs9 h TYR 91 N 4.07 0.20 -2.63 1.54 3.20 -1.33 -3.39 116.97 118.63 2qs9 h TYR 91 Ca -0.43 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.45 2qs9 h TYR 91 Cb 1.19 -0.05 -0.13 0.00 1.54 0.00 0.00 36.73 39.27 2qs9 h TYR 91 CO 0.63 0.43 0.36 0.00 -1.64 0.00 0.00 178.16 177.94 2qs9 s ALA 92 N -4.97 -1.71 -0.02 1.82 0.00 -1.13 -3.85 121.76 111.90 2qs9 s ALA 92 Ca -0.14 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.56 2qs9 s ALA 92 Cb 0.05 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.83 2qs9 s ALA 92 CO 0.70 -0.74 -0.04 0.42 0.00 0.00 0.00 175.76 176.10 2qs9 s ILE 93 N -3.43 0.43 -0.28 0.00 1.01 -0.53 -0.78 121.20 117.61 2qs9 s ILE 93 Ca 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 2qs9 s ILE 93 Cb -0.01 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 42.06 2qs9 s ILE 93 CO -0.10 0.17 0.00 -0.69 0.00 0.00 0.00 174.94 174.31 2qs9 s VAL 94 N 0.48 3.23 -0.23 2.92 1.01 0.91 -1.37 120.40 127.35 2qs9 s VAL 94 Ca -0.06 -1.07 -0.12 0.00 0.00 0.00 0.00 61.98 60.73 2qs9 s VAL 94 Cb -0.09 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 2qs9 s VAL 94 CO -0.00 0.05 0.22 -0.76 0.00 0.00 0.00 175.10 174.61 2qs9 s LEU 95 N 1.35 4.13 -0.24 3.92 1.43 0.38 -1.20 118.68 128.45 2qs9 s LEU 95 Ca -0.01 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2qs9 s LEU 95 Cb -0.18 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.85 2qs9 s LEU 95 CO -0.01 0.03 -0.08 -0.69 0.23 0.00 0.00 176.35 175.83 2qs9 s VAL 96 N 1.08 2.73 -0.88 -1.59 1.01 0.08 0.05 120.40 122.87 2qs9 s VAL 96 Ca 0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 2qs9 s VAL 96 Cb -0.14 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 2qs9 s VAL 96 CO 0.05 0.24 0.78 -1.20 0.00 0.00 0.00 175.10 174.97 2qs9 n SER 97 N 4.65 -6.23 -4.93 3.32 7.64 -0.25 -0.87 113.62 116.95 2qs9 n SER 97 Ca -0.17 -0.54 -0.25 0.00 1.01 0.00 0.00 58.87 58.92 2qs9 n SER 97 Cb 0.47 -4.66 -0.01 0.00 -1.01 0.00 0.00 64.21 59.01 2qs9 n SER 97 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qs9 s ALA 98 N -3.29 3.59 0.23 -0.43 0.00 -1.26 -3.63 121.76 116.97 2qs9 s ALA 98 Ca 0.34 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 2qs9 s ALA 98 Cb -0.04 -2.28 0.03 0.00 0.00 0.00 0.00 23.12 20.82 2qs9 s ALA 98 CO 0.65 -0.17 0.42 2.48 0.00 0.00 0.00 175.76 179.14 2qs9 n TYR 99 N -1.98 -1.58 0.00 0.00 0.18 -1.26 -4.10 117.16 108.43 2qs9 n TYR 99 Ca -0.02 -1.24 0.00 0.00 1.88 0.00 0.00 57.90 58.51 2qs9 n TYR 99 Cb 0.56 0.49 0.00 0.00 -0.38 0.00 0.00 39.34 40.01 2qs9 n TYR 99 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2qs9 n THR 100 N -0.34 0.00 -4.66 -3.48 -2.24 -1.26 -4.93 114.28 97.37 2qs9 n THR 100 Ca -0.03 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.45 2qs9 n THR 100 Cb 0.36 0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.61 2qs9 n THR 100 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qs9 s SER 101 N -2.08 3.72 0.00 3.42 1.04 -1.26 -4.90 113.70 113.64 2qs9 s SER 101 Ca 0.00 -1.56 0.19 0.00 0.48 0.00 0.00 55.95 55.06 2qs9 s SER 101 Cb 0.00 0.23 1.16 0.00 0.10 0.00 0.00 66.02 67.51 2qs9 s SER 101 CO 0.00 -0.74 1.59 -0.90 0.98 0.00 0.00 173.24 174.17 2qs9 n ASP 102 N -1.15 0.00 -1.24 7.02 5.68 -1.26 -4.84 116.55 120.76 2qs9 n ASP 102 Ca -0.12 -0.85 -0.15 0.00 -0.50 0.00 0.00 54.79 53.16 2qs9 n ASP 102 Cb 0.67 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.58 2qs9 n ASP 102 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2qs9 n LEU 103 N -0.92 -0.93 -0.72 -2.12 4.77 -1.26 -0.74 117.00 115.08 2qs9 n LEU 103 Ca 0.15 0.38 -0.09 0.00 -0.03 0.00 0.00 56.01 56.41 2qs9 n LEU 103 Cb 0.07 -2.58 -0.04 0.00 -2.33 0.00 0.00 43.42 38.54 2qs9 n LEU 103 CO 0.11 -0.97 -0.09 0.61 -1.33 0.00 0.00 177.39 175.72 2qs9 n GLY 104 N -0.10 1.09 3.67 -0.72 0.00 -1.26 -4.99 105.19 102.87 2qs9 n GLY 104 Ca -0.15 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 2qs9 n GLY 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qs9 s ASP 105 N -2.78 5.88 0.31 1.61 -1.08 0.08 -5.01 116.67 115.68 2qs9 s ASP 105 Ca 0.00 0.14 0.01 0.00 -0.52 0.00 0.00 52.55 52.18 2qs9 s ASP 105 Cb 0.00 -2.02 0.51 0.00 -1.46 0.00 0.00 42.92 39.95 2qs9 s ASP 105 CO 0.00 0.17 1.89 -0.33 0.52 0.00 0.00 175.17 177.42 2qs9 h GLU 106 N 6.74 0.77 -0.35 4.34 5.08 -1.94 -0.68 114.58 128.54 2qs9 h GLU 106 Ca -0.39 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 57.69 2qs9 h GLU 106 Cb 1.16 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2qs9 h GLU 106 CO 0.72 0.65 -0.40 -0.97 -1.00 0.00 0.00 179.01 178.01 2qs9 h ASN 107 N 0.76 0.93 -0.59 1.42 -1.24 -1.94 0.18 115.58 115.09 2qs9 h ASN 107 Ca 0.18 -0.43 -0.03 0.00 0.71 0.00 0.00 56.30 56.73 2qs9 h ASN 107 Cb 0.18 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 2qs9 h ASN 107 CO -0.01 1.21 0.26 -0.33 -1.29 0.00 0.00 177.43 177.26 2qs9 h GLU 108 N 0.71 0.87 -0.52 6.67 4.39 -1.73 -2.57 114.58 122.39 2qs9 h GLU 108 Ca 0.05 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 2qs9 h GLU 108 Cb 0.98 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 2qs9 h GLU 108 CO 0.09 0.73 -0.01 0.00 -1.16 0.00 0.00 179.01 178.66 2qs9 h ARG 109 N 0.81 0.89 0.00 2.33 -0.00 -0.93 -2.69 114.38 114.79 2qs9 h ARG 109 Ca 0.20 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.98 59.41 2qs9 h ARG 109 Cb 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 29.97 30.05 2qs9 h ARG 109 CO -0.02 0.89 -0.03 0.00 0.00 0.00 0.00 179.97 180.81 2qs9 h ALA 110 N 1.16 1.23 0.00 0.04 0.00 -0.57 -1.86 119.26 119.26 2qs9 h ALA 110 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2qs9 h ALA 110 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2qs9 h ALA 110 CO 0.03 0.04 -0.22 0.66 0.00 0.00 0.00 179.25 179.76 2qs9 h SER 111 N 0.00 0.00 0.00 0.00 4.64 -1.20 -3.45 113.55 113.55 2qs9 h SER 111 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qs9 h SER 111 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2qs9 h SER 111 CO 0.00 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 2qs9 n GLY 112 N -0.71 0.85 0.22 -0.77 0.00 -0.70 -0.44 105.19 103.64 2qs9 n GLY 112 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.15 2qs9 n GLY 112 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2qs9 h TYR 113 N 0.00 0.00 -0.18 1.61 0.05 -1.82 -3.24 116.97 113.39 2qs9 h TYR 113 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 2qs9 h TYR 113 Cb 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 2qs9 h TYR 113 CO 0.00 0.00 -0.11 1.19 -1.05 0.00 0.00 178.16 178.19 2qs9 n PHE 114 N -2.82 0.59 0.87 4.88 3.72 -1.26 -4.70 117.46 118.74 2qs9 n PHE 114 Ca 0.02 -1.25 0.13 0.00 -0.05 0.00 0.00 57.45 56.30 2qs9 n PHE 114 Cb 0.33 -0.32 0.55 0.00 -0.94 0.00 0.00 39.48 39.09 2qs9 n PHE 114 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2qs9 n THR 115 N -1.04 0.23 -3.98 4.37 -2.24 -1.22 -4.90 114.28 105.49 2qs9 n THR 115 Ca 0.23 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.89 2qs9 n THR 115 Cb 0.84 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 2qs9 n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qs9 s ARG 116 N -3.03 1.79 0.70 -0.78 3.03 -1.26 -5.16 118.95 114.25 2qs9 s ARG 116 Ca 0.12 -1.41 -0.16 0.00 2.03 0.00 0.00 55.73 56.31 2qs9 s ARG 116 Cb 0.17 0.50 0.02 0.00 -1.03 0.00 0.00 34.95 34.61 2qs9 s ARG 116 CO 0.51 -0.77 1.27 -2.30 -1.13 0.00 0.00 175.30 172.88 2qs9 n PRO 117 N -0.47 0.82 -2.83 3.89 -0.02 -1.26 -4.97 135.00 130.15 2qs9 n PRO 117 Ca -0.02 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 2qs9 n PRO 117 Cb 0.61 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 2qs9 n PRO 117 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2qs9 s TRP 118 N -1.62 3.69 -1.24 6.00 0.52 -1.26 -4.97 118.94 120.07 2qs9 s TRP 118 Ca 0.80 1.59 -0.09 0.00 0.02 0.00 0.00 56.10 58.42 2qs9 s TRP 118 Cb -0.35 -2.99 0.19 0.00 -1.15 0.00 0.00 33.47 29.18 2qs9 s TRP 118 CO 0.43 0.11 1.75 1.04 0.02 0.00 0.00 176.95 180.30 2qs9 n GLN 119 N 3.41 3.73 -0.21 4.98 6.02 -1.26 -4.83 117.38 129.21 2qs9 n GLN 119 Ca 0.02 -3.75 0.02 0.00 -0.01 0.00 0.00 57.00 53.28 2qs9 n GLN 119 Cb 0.50 -2.86 0.13 0.00 1.02 0.00 0.00 30.24 29.03 2qs9 n GLN 119 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 2qs9 h TRP 120 N 5.88 0.34 -0.75 1.08 -0.00 -1.93 -2.18 115.95 118.39 2qs9 h TRP 120 Ca 0.35 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 59.23 2qs9 h TRP 120 Cb 0.66 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.16 29.73 2qs9 h TRP 120 CO 1.18 0.03 0.31 0.93 -0.00 0.00 0.00 178.44 180.89 2qs9 h GLU 121 N 0.35 1.10 -0.35 0.49 4.39 -1.88 -1.81 114.58 116.88 2qs9 h GLU 121 Ca 0.34 -0.19 -0.12 0.00 0.34 0.00 0.00 59.36 59.73 2qs9 h GLU 121 Cb 0.48 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2qs9 h GLU 121 CO -0.37 0.89 -0.29 0.87 -1.16 0.00 0.00 179.01 178.94 2qs9 h LYS 122 N 1.08 0.73 -0.27 2.33 1.57 -1.83 -1.11 116.57 119.06 2qs9 h LYS 122 Ca 0.25 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2qs9 h LYS 122 Cb 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2qs9 h LYS 122 CO -0.02 0.93 0.16 0.82 -0.57 0.00 0.00 179.45 180.77 2qs9 h ILE 123 N 0.62 1.10 -0.41 1.86 2.04 -1.02 0.86 117.51 122.56 2qs9 h ILE 123 Ca 0.08 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 2qs9 h ILE 123 Cb 0.80 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2qs9 h ILE 123 CO 0.07 0.10 0.04 0.11 0.00 0.00 0.00 178.15 178.47 2qs9 h LYS 124 N 0.35 0.63 0.00 2.37 1.57 -1.18 -0.32 116.57 119.98 2qs9 h LYS 124 Ca 0.10 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 2qs9 h LYS 124 Cb 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2qs9 h LYS 124 CO -0.02 0.62 -0.55 0.00 -0.57 0.00 0.00 179.45 178.93 2qs9 h ALA 125 N 1.45 0.98 -0.00 3.86 0.00 -0.60 -3.14 119.26 121.80 2qs9 h ALA 125 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2qs9 h ALA 125 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2qs9 h ALA 125 CO 0.01 0.69 -0.59 0.09 0.00 0.00 0.00 179.25 179.45 2qs9 n ASN 126 N -3.73 0.72 -3.43 0.00 3.02 0.24 -4.72 115.26 107.36 2qs9 n ASN 126 Ca -0.01 -0.53 -0.21 0.00 -0.03 0.00 0.00 54.58 53.80 2qs9 n ASN 126 Cb 0.59 0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 40.07 2qs9 n ASN 126 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qs9 h PRO 128 N 7.78 0.69 -4.89 0.00 0.11 -1.74 -3.41 132.00 130.55 2qs9 h PRO 128 Ca -0.07 -0.04 -0.67 0.00 0.11 0.00 0.00 66.00 65.33 2qs9 h PRO 128 Cb 1.04 -0.16 -0.33 0.00 0.11 0.00 0.00 31.00 31.66 2qs9 h PRO 128 CO 0.31 0.46 -0.75 0.71 -0.21 0.00 0.00 178.00 178.51 2qs9 s TYR 129 N -5.63 3.11 -0.19 0.65 2.02 -1.25 -5.08 117.35 110.99 2qs9 s TYR 129 Ca -0.09 -1.74 0.01 0.00 -0.37 0.00 0.00 57.07 54.87 2qs9 s TYR 129 Cb 0.19 -2.04 0.04 0.00 -0.40 0.00 0.00 41.96 39.75 2qs9 s TYR 129 CO 0.76 -0.77 -0.09 0.42 -1.57 0.00 0.00 175.55 174.29 2qs9 s ILE 130 N 1.27 1.52 0.04 2.71 1.01 -1.26 -1.46 121.20 125.03 2qs9 s ILE 130 Ca -0.02 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.79 2qs9 s ILE 130 Cb -0.17 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 2qs9 s ILE 130 CO -0.04 0.19 -0.09 -0.69 0.00 0.00 0.00 174.94 174.30 2qs9 s VAL 131 N 1.46 3.46 -0.01 2.92 1.01 -0.47 -1.46 120.40 127.30 2qs9 s VAL 131 Ca -0.00 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2qs9 s VAL 131 Cb -0.16 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.69 2qs9 s VAL 131 CO -0.08 0.30 -0.05 -1.58 0.00 0.00 0.00 175.10 173.68 2qs9 s GLN 132 N -1.67 0.50 -0.11 2.72 0.74 -0.40 -0.47 119.66 120.96 2qs9 s GLN 132 Ca 0.18 -0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.43 2qs9 s GLN 132 Cb -0.11 -0.49 -0.01 0.00 1.10 0.00 0.00 33.01 33.49 2qs9 s GLN 132 CO 0.09 0.09 -0.16 -0.06 -0.55 0.00 0.00 175.29 174.70 2qs9 s PHE 133 N 0.04 2.74 -0.05 1.67 0.08 0.11 0.10 117.98 122.67 2qs9 s PHE 133 Ca -0.00 -0.66 -0.19 0.00 0.12 0.00 0.00 56.93 56.20 2qs9 s PHE 133 Cb -0.04 -1.78 0.04 0.00 -0.57 0.00 0.00 43.02 40.66 2qs9 s PHE 133 CO -0.00 -0.20 0.43 0.20 -0.10 0.00 0.00 175.22 175.54 2qs9 s GLY 134 N 0.19 -0.29 -0.03 4.36 0.00 -0.85 -1.09 107.32 109.60 2qs9 s GLY 134 Ca -0.09 0.72 0.05 0.00 0.00 0.00 0.00 44.72 45.39 2qs9 s GLY 134 CO 0.06 0.48 -0.17 -0.45 0.00 0.00 0.00 173.10 173.01 2qs9 s SER 135 N -1.07 2.13 0.21 1.64 0.15 -1.26 -0.81 113.70 114.69 2qs9 s SER 135 Ca -0.11 -0.34 0.21 0.00 0.70 0.00 0.00 55.95 56.41 2qs9 s SER 135 Cb -0.04 -0.47 0.90 0.00 -1.71 0.00 0.00 66.02 64.70 2qs9 s SER 135 CO 0.05 0.17 1.63 0.35 1.20 0.00 0.00 173.24 176.65 2qs9 n THR 136 N 2.98 0.93 -0.86 6.45 -2.24 -0.28 -2.25 114.28 119.01 2qs9 n THR 136 Ca -0.17 0.30 0.08 0.00 -2.27 0.00 0.00 64.05 61.99 2qs9 n THR 136 Cb 0.53 -1.21 0.37 0.00 -2.10 0.00 0.00 70.33 67.92 2qs9 n THR 136 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qs9 n ASP 137 N -2.08 5.23 -4.66 3.42 5.75 -1.25 -4.89 116.55 118.07 2qs9 n ASP 137 Ca 0.02 -2.84 -0.42 0.00 -0.01 0.00 0.00 54.79 51.54 2qs9 n ASP 137 Cb 0.19 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 39.61 2qs9 n ASP 137 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2qs9 s ASP 138 N -1.00 6.46 0.09 -1.12 -1.08 -0.95 -4.45 116.67 114.61 2qs9 s ASP 138 Ca 0.52 2.66 0.23 0.00 -0.52 0.00 0.00 52.55 55.44 2qs9 s ASP 138 Cb 0.38 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 40.23 2qs9 s ASP 138 CO 0.17 -1.04 1.72 -0.81 0.52 0.00 0.00 175.17 175.73 2qs9 n PRO 139 N 7.24 0.08 -0.00 4.34 -0.04 -1.26 -3.76 135.00 141.60 2qs9 n PRO 139 Ca 0.19 0.19 0.05 0.00 -0.04 0.00 0.00 63.50 63.90 2qs9 n PRO 139 Cb 0.41 -1.62 -0.08 0.00 -0.04 0.00 0.00 33.50 32.16 2qs9 n PRO 139 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2qs9 n PHE 140 N -1.77 0.00 -5.14 0.54 3.72 -1.26 -5.02 117.46 108.52 2qs9 n PHE 140 Ca 0.05 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.13 2qs9 n PHE 140 Cb 0.29 -0.20 -0.15 0.00 -0.94 0.00 0.00 39.48 38.48 2qs9 n PHE 140 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2qs9 s LEU 141 N -3.49 2.27 0.06 4.37 1.43 -1.25 -5.10 118.68 116.97 2qs9 s LEU 141 Ca -0.02 -0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 52.37 2qs9 s LEU 141 Cb 0.07 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 2qs9 s LEU 141 CO 0.46 0.32 1.19 -2.84 0.23 0.00 0.00 176.35 175.71 2qs9 s PRO 142 N -0.72 4.43 0.44 1.29 0.02 -1.26 -4.74 135.00 134.47 2qs9 s PRO 142 Ca 0.11 1.76 0.15 0.00 0.02 0.00 0.00 61.00 63.03 2qs9 s PRO 142 Cb -0.10 -3.36 1.06 0.00 0.02 0.00 0.00 34.50 32.12 2qs9 s PRO 142 CO -0.00 -0.26 1.98 2.35 -0.33 0.00 0.00 177.00 180.75 2qs9 h TRP 143 N 6.82 0.40 -0.95 6.54 2.91 -1.92 -1.24 115.95 128.50 2qs9 h TRP 143 Ca -0.41 0.01 0.18 0.00 1.13 0.00 0.00 58.89 59.79 2qs9 h TRP 143 Cb 1.21 -0.13 -0.08 0.00 -0.51 0.00 0.00 29.16 29.65 2qs9 h TRP 143 CO 0.67 0.19 0.60 -0.22 -1.03 0.00 0.00 178.44 178.65 2qs9 h LYS 144 N 0.37 0.64 -0.01 2.65 3.64 -1.99 -0.33 116.57 121.55 2qs9 h LYS 144 Ca 0.27 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.43 2qs9 h LYS 144 Cb 0.56 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2qs9 h LYS 144 CO -0.07 0.43 -0.82 0.93 -2.27 0.00 0.00 179.45 177.64 2qs9 h GLU 145 N 0.66 0.16 -0.40 1.90 5.08 -1.60 -1.17 114.58 119.21 2qs9 h GLU 145 Ca 0.51 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 2qs9 h GLU 145 Cb 0.91 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2qs9 h GLU 145 CO -0.27 0.90 -0.15 1.96 -1.00 0.00 0.00 179.01 180.45 2qs9 h GLN 146 N 0.10 0.81 -0.03 2.33 4.20 -1.08 -2.35 115.11 119.10 2qs9 h GLN 146 Ca -0.03 -0.33 -0.09 0.00 0.06 0.00 0.00 58.65 58.26 2qs9 h GLN 146 Cb 1.43 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.17 2qs9 h GLN 146 CO 0.12 0.96 -0.40 0.37 -0.67 0.00 0.00 178.83 179.22 2qs9 h GLN 147 N 0.62 0.05 -0.42 1.46 5.75 -1.09 -2.49 115.11 118.99 2qs9 h GLN 147 Ca 0.10 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 2qs9 h GLN 147 Cb 0.69 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 2qs9 h GLN 147 CO 0.05 0.44 0.13 1.49 -2.65 0.00 0.00 178.83 178.29 2qs9 h GLU 148 N 0.04 0.66 -0.55 1.69 4.22 -0.91 -0.76 114.58 118.97 2qs9 h GLU 148 Ca 0.00 -0.15 -0.03 0.00 0.08 0.00 0.00 59.36 59.27 2qs9 h GLU 148 Cb 0.72 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2qs9 h GLU 148 CO 0.05 0.66 0.24 0.28 -2.18 0.00 0.00 179.01 178.06 2qs9 h VAL 149 N 0.55 1.22 -0.72 0.32 2.07 -1.19 -0.43 116.25 118.06 2qs9 h VAL 149 Ca 0.14 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.02 2qs9 h VAL 149 Cb 0.28 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2qs9 h VAL 149 CO -0.00 0.25 0.48 0.00 0.02 0.00 0.00 177.57 178.32 2qs9 h ALA 150 N 1.08 0.92 -0.01 1.67 0.00 -1.14 -0.81 119.26 120.97 2qs9 h ALA 150 Ca 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qs9 h ALA 150 Cb 0.17 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2qs9 h ALA 150 CO -0.02 0.33 -0.01 -0.44 0.00 0.00 0.00 179.25 179.11 2qs9 h ASP 151 N 0.97 0.02 0.42 0.00 3.32 -0.85 -0.18 116.42 120.12 2qs9 h ASP 151 Ca 0.27 -0.48 -0.08 0.00 0.02 0.00 0.00 57.03 56.75 2qs9 h ASP 151 Cb -0.10 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2qs9 h ASP 151 CO -0.06 0.50 -0.39 0.03 -1.72 0.00 0.00 179.24 177.59 2qs9 h ARG 152 N -0.46 0.00 -0.12 3.56 2.47 -1.01 -3.01 114.38 115.81 2qs9 h ARG 152 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2qs9 h ARG 152 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2qs9 h ARG 152 CO 0.00 0.39 0.00 1.28 0.56 0.00 0.00 179.97 182.21 2qs9 n LEU 153 N -4.02 2.69 -3.99 3.04 4.77 -0.32 -4.81 117.00 114.36 2qs9 n LEU 153 Ca -0.02 -1.18 -0.26 0.00 -0.03 0.00 0.00 56.01 54.52 2qs9 n LEU 153 Cb 0.43 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 2qs9 n LEU 153 CO 0.39 0.52 -0.23 -0.62 -1.33 0.00 0.00 177.39 176.12 2qs9 n GLU 154 N 1.04 -3.21 -1.56 3.23 1.02 -0.14 -4.92 120.64 116.10 2qs9 n GLU 154 Ca 0.12 0.39 -0.31 0.00 -0.02 0.00 0.00 57.16 57.34 2qs9 n GLU 154 Cb 0.47 -4.54 0.05 0.00 -0.02 0.00 0.00 31.44 27.40 2qs9 n GLU 154 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2qs9 s THR 155 N -3.92 3.92 -0.74 2.62 -4.23 -0.84 -4.90 115.64 107.54 2qs9 s THR 155 Ca 0.06 0.64 -0.22 0.00 -1.18 0.00 0.00 61.69 61.00 2qs9 s THR 155 Cb -0.03 -3.33 0.09 0.00 1.34 0.00 0.00 72.50 70.56 2qs9 s THR 155 CO 0.90 -0.79 1.02 -0.54 -0.54 0.00 0.00 174.62 174.66 2qs9 s LYS 156 N -4.95 3.25 -0.02 3.99 1.02 -0.54 -4.90 119.74 117.60 2qs9 s LYS 156 Ca 0.59 -1.09 -0.27 0.00 0.02 0.00 0.00 55.97 55.22 2qs9 s LYS 156 Cb -0.15 -4.45 -0.04 0.00 -0.52 0.00 0.00 37.83 32.68 2qs9 s LYS 156 CO 0.54 -1.82 0.86 -1.17 -0.92 0.00 0.00 175.35 172.83 2qs9 s LEU 157 N 3.73 4.36 -0.48 3.17 2.96 -1.26 -1.28 118.68 129.89 2qs9 s LEU 157 Ca 0.26 1.47 -0.03 0.00 -0.22 0.00 0.00 54.13 55.60 2qs9 s LEU 157 Cb -0.13 -3.36 0.13 0.00 0.50 0.00 0.00 46.19 43.32 2qs9 s LEU 157 CO 0.04 -0.18 0.28 -1.00 -1.32 0.00 0.00 176.35 174.18 2qs9 s HIS 158 N 0.81 3.53 -0.31 5.38 3.76 0.12 -4.96 115.29 123.61 2qs9 s HIS 158 Ca 0.45 -2.45 -0.16 0.00 -0.15 0.00 0.00 55.06 52.75 2qs9 s HIS 158 Cb -0.20 -3.25 -0.02 0.00 1.11 0.00 0.00 32.58 30.22 2qs9 s HIS 158 CO 0.24 -0.94 0.43 0.21 -0.85 0.00 0.00 174.74 173.83 2qs9 s LYS 159 N 0.83 3.82 0.42 1.40 2.20 -1.26 -2.01 119.74 125.14 2qs9 s LYS 159 Ca 0.10 -0.07 0.07 0.00 -0.36 0.00 0.00 55.97 55.71 2qs9 s LYS 159 Cb -0.22 -3.73 -0.03 0.00 -1.51 0.00 0.00 37.83 32.33 2qs9 s LYS 159 CO -0.04 -0.44 0.28 -0.06 -0.36 0.00 0.00 175.35 174.73 2qs9 s PHE 160 N 2.18 2.61 0.00 4.03 2.99 0.01 -5.01 117.98 124.80 2qs9 s PHE 160 Ca 0.16 -0.55 0.00 0.00 0.00 0.00 0.00 56.93 56.54 2qs9 s PHE 160 Cb -0.16 -2.06 0.00 0.00 0.00 0.00 0.00 43.02 40.80 2qs9 s PHE 160 CO 0.11 0.02 0.00 0.25 -0.00 0.00 0.00 175.22 175.60 2qs9 n THR 161 N -1.40 0.00 -1.94 0.64 -2.24 -1.26 -1.12 114.28 106.95 2qs9 n THR 161 Ca 0.01 -0.39 0.03 0.00 -2.27 0.00 0.00 64.05 61.43 2qs9 n THR 161 Cb 0.63 0.96 0.04 0.00 -2.10 0.00 0.00 70.33 69.86 2qs9 n THR 161 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qs9 n ASP 162 N -0.86 0.71 -0.97 3.42 5.68 -1.26 -3.94 116.55 119.32 2qs9 n ASP 162 Ca 0.00 -2.29 0.12 0.00 -0.50 0.00 0.00 54.79 52.11 2qs9 n ASP 162 Cb 0.00 -0.28 0.12 0.00 -1.14 0.00 0.00 41.12 39.82 2qs9 n ASP 162 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qs9 n GLY 164 N 1.34 3.13 1.71 0.00 0.00 -1.26 -1.01 105.19 109.10 2qs9 n GLY 164 Ca 0.15 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.04 2qs9 n GLY 164 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qs9 n HIS 165 N 14.00 1.86 -3.41 1.61 -0.00 -1.26 -4.07 115.22 123.95 2qs9 n HIS 165 Ca 0.00 -0.79 -0.18 0.00 0.46 0.00 0.00 57.72 57.21 2qs9 n HIS 165 Cb 0.00 -0.52 0.03 0.00 -0.12 0.00 0.00 29.99 29.39 2qs9 n HIS 165 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2qs9 n PHE 166 N 0.24 -2.37 -1.05 1.57 3.72 -0.18 -4.93 117.46 114.46 2qs9 n PHE 166 Ca 0.28 0.80 0.09 0.00 -0.05 0.00 0.00 57.45 58.57 2qs9 n PHE 166 Cb 1.11 -3.72 0.20 0.00 -0.94 0.00 0.00 39.48 36.13 2qs9 n PHE 166 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2qs9 n GLN 167 N -3.06 2.03 -1.87 -1.08 6.02 -1.26 -4.80 117.38 113.36 2qs9 n GLN 167 Ca -0.09 -2.72 -0.28 0.00 -0.01 0.00 0.00 57.00 53.90 2qs9 n GLN 167 Cb 0.58 -1.66 0.20 0.00 1.02 0.00 0.00 30.24 30.38 2qs9 n GLN 167 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2qs9 n ASN 168 N -1.01 0.14 0.01 1.08 3.02 -1.26 -4.55 115.26 112.69 2qs9 n ASN 168 Ca 0.19 -1.49 0.11 0.00 -0.03 0.00 0.00 54.58 53.35 2qs9 n ASN 168 Cb 0.76 -0.98 -0.02 0.00 -0.61 0.00 0.00 39.78 38.93 2qs9 n ASN 168 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2qs9 n THR 169 N -3.75 0.09 -4.28 3.41 -2.24 -1.26 -1.83 114.28 104.42 2qs9 n THR 169 Ca 0.16 -0.19 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 2qs9 n THR 169 Cb 0.56 0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 69.09 2qs9 n THR 169 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2qs9 s GLU 170 N -3.16 1.14 -0.47 -0.78 2.02 -1.26 -4.26 118.70 111.93 2qs9 s GLU 170 Ca 0.04 -1.43 0.06 0.00 0.02 0.00 0.00 54.97 53.67 2qs9 s GLU 170 Cb 0.15 -0.90 0.25 0.00 0.10 0.00 0.00 34.13 33.73 2qs9 s GLU 170 CO 0.82 0.15 0.83 0.34 0.02 0.00 0.00 175.26 177.42 2qs9 n PHE 171 N -0.01 -2.71 -0.24 1.61 -0.00 -1.26 -4.92 117.46 109.93 2qs9 n PHE 171 Ca -0.11 -2.15 -0.00 0.00 -0.00 0.00 0.00 57.45 55.19 2qs9 n PHE 171 Cb 0.59 1.18 0.12 0.00 -0.00 0.00 0.00 39.48 41.37 2qs9 n PHE 171 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2qs9 h HIS 172 N 3.93 0.66 -0.50 -5.13 -0.00 -2.01 -2.14 115.15 109.97 2qs9 h HIS 172 Ca -0.10 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.38 2qs9 h HIS 172 Cb 1.00 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 28.19 2qs9 h HIS 172 CO 0.10 0.29 0.34 0.93 -0.00 0.00 0.00 177.93 179.59 2qs9 h GLU 173 N 0.65 0.28 -0.55 5.26 3.07 -2.00 -0.34 114.58 120.96 2qs9 h GLU 173 Ca 0.32 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 59.05 2qs9 h GLU 173 Cb 0.26 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 2qs9 h GLU 173 CO -0.22 0.19 -0.09 1.25 -1.40 0.00 0.00 179.01 178.74 2qs9 h LEU 174 N 0.29 1.03 -0.73 1.33 5.85 -1.82 -2.26 115.31 119.00 2qs9 h LEU 174 Ca 0.23 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2qs9 h LEU 174 Cb 0.52 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2qs9 h LEU 174 CO -0.05 1.14 0.40 0.40 -0.34 0.00 0.00 178.44 179.99 2qs9 h ILE 175 N 0.91 1.22 -0.87 4.05 1.08 -1.01 -1.53 117.51 121.37 2qs9 h ILE 175 Ca 0.14 -0.56 -0.01 0.00 -0.39 0.00 0.00 64.86 64.05 2qs9 h ILE 175 Cb 0.66 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 2qs9 h ILE 175 CO 0.05 0.25 0.52 0.74 -0.69 0.00 0.00 178.15 179.02 2qs9 h THR 176 N 1.01 1.24 -0.11 -0.27 2.02 -1.21 0.44 112.91 116.03 2qs9 h THR 176 Ca 0.26 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2qs9 h THR 176 Cb 0.04 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 2qs9 h THR 176 CO -0.04 0.25 0.05 0.58 0.37 0.00 0.00 175.52 176.73 2qs9 h VAL 177 N 1.19 1.13 -0.61 3.16 2.07 -0.90 -0.74 116.25 121.55 2qs9 h VAL 177 Ca 0.31 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2qs9 h VAL 177 Cb -0.05 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2qs9 h VAL 177 CO -0.06 0.12 0.36 0.58 0.02 0.00 0.00 177.57 178.59 2qs9 h VAL 178 N 0.03 1.18 -0.14 2.57 2.07 -0.94 -0.87 116.25 120.16 2qs9 h VAL 178 Ca 0.04 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 2qs9 h VAL 178 Cb 0.14 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2qs9 h VAL 178 CO -0.00 0.19 -0.15 0.11 0.02 0.00 0.00 177.57 177.74 2qs9 h LYS 179 N 0.83 0.22 -0.28 1.57 1.57 -0.78 -0.59 116.57 119.11 2qs9 h LYS 179 Ca 0.22 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.80 2qs9 h LYS 179 Cb -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2qs9 h LYS 179 CO -0.04 0.38 -0.41 0.77 -0.57 0.00 0.00 179.45 179.57 2qs9 h SER 180 N 0.21 0.74 0.70 0.86 0.02 -0.24 -2.32 113.55 113.51 2qs9 h SER 180 Ca 0.04 -0.34 -0.07 0.00 -0.84 0.00 0.00 61.79 60.58 2qs9 h SER 180 Cb 0.40 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2qs9 h SER 180 CO 0.02 1.06 -0.35 -0.07 -1.14 0.00 0.00 176.83 176.35 2qs9 h LEU 181 N 0.56 0.00 0.00 5.07 3.38 -0.66 -3.51 115.31 120.15 2qs9 h LEU 181 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qs9 h LEU 181 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2qs9 h LEU 181 CO 0.09 0.35 0.00 0.18 0.09 0.00 0.00 178.44 179.14