#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qlx s ASP 0 N 0.00 3.74 0.00 1.61 -1.08 -1.26 -4.97 116.67 114.70 2qlx s ASP 0 Ca 0.00 0.69 0.00 0.00 -0.52 0.00 0.00 52.55 52.72 2qlx s ASP 0 Cb 0.00 -1.08 0.00 0.00 -1.46 0.00 0.00 42.92 40.38 2qlx s ASP 0 CO 0.00 -2.38 0.00 0.41 0.52 0.00 0.00 175.17 173.72 2qlx n THR 2 N -3.61 -0.36 -3.06 1.71 -1.04 -1.26 -0.68 114.28 105.98 2qlx n THR 2 Ca 0.10 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.72 2qlx n THR 2 Cb 0.60 -0.29 -0.06 0.00 -1.82 0.00 0.00 70.33 68.76 2qlx n THR 2 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2qlx s LEU 3 N -0.43 4.52 0.08 -4.42 1.43 -1.26 -0.38 118.68 118.22 2qlx s LEU 3 Ca 0.00 1.53 0.03 0.00 -1.03 0.00 0.00 54.13 54.66 2qlx s LEU 3 Cb 0.00 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 2qlx s LEU 3 CO 0.00 0.18 -0.10 -1.83 0.23 0.00 0.00 176.35 174.83 2qlx s GLU 4 N -1.34 0.76 -0.06 1.70 -1.05 0.75 -4.91 118.70 114.55 2qlx s GLU 4 Ca 0.36 -1.03 -0.27 0.00 -0.15 0.00 0.00 54.97 53.88 2qlx s GLU 4 Cb -0.21 -0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 32.96 2qlx s GLU 4 CO 0.24 0.08 0.86 0.15 0.95 0.00 0.00 175.26 177.53 2qlx s LYS 5 N -2.39 4.47 -0.10 -4.83 -0.14 -1.26 -1.32 119.74 114.17 2qlx s LYS 5 Ca 0.01 1.16 0.03 0.00 -1.36 0.00 0.00 55.97 55.80 2qlx s LYS 5 Cb -0.05 -3.48 0.01 0.00 -1.68 0.00 0.00 37.83 32.63 2qlx s LYS 5 CO 0.00 -0.06 -0.18 -1.58 -0.76 0.00 0.00 175.35 172.77 2qlx s HIS 6 N 1.15 2.11 0.18 3.18 5.65 -0.02 -4.80 115.29 122.75 2qlx s HIS 6 Ca 0.44 -0.90 0.08 0.00 0.25 0.00 0.00 55.06 54.94 2qlx s HIS 6 Cb -0.19 -1.47 -0.04 0.00 -1.18 0.00 0.00 32.58 29.70 2qlx s HIS 6 CO 0.21 -0.41 -0.17 0.00 -0.65 0.00 0.00 174.74 173.72 2qlx s ALA 7 N 0.63 2.05 0.20 1.58 0.00 -1.26 -1.43 121.76 123.54 2qlx s ALA 7 Ca -0.14 -1.56 -0.18 0.00 0.00 0.00 0.00 51.96 50.08 2qlx s ALA 7 Cb -0.16 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.83 2qlx s ALA 7 CO 0.04 0.19 0.54 -0.59 0.00 0.00 0.00 175.76 175.94 2qlx s PHE 8 N -2.34 -0.14 0.35 0.00 -0.12 -0.45 -0.80 117.98 114.48 2qlx s PHE 8 Ca 0.19 -0.21 0.05 0.00 -0.05 0.00 0.00 56.93 56.91 2qlx s PHE 8 Cb -0.04 0.42 -0.07 0.00 -0.63 0.00 0.00 43.02 42.70 2qlx s PHE 8 CO 0.07 -0.94 0.04 -1.59 -0.05 0.00 0.00 175.22 172.76 2qlx s LYS 9 N -3.87 1.75 -0.21 1.99 -2.85 0.13 -0.96 119.74 115.72 2qlx s LYS 9 Ca 0.09 -1.98 -0.10 0.00 -1.00 0.00 0.00 55.97 52.99 2qlx s LYS 9 Cb -0.01 -1.10 0.08 0.00 -2.06 0.00 0.00 37.83 34.73 2qlx s LYS 9 CO -0.02 -0.15 0.48 -1.14 0.10 0.00 0.00 175.35 174.62 2qlx s GLN 11 N -3.84 0.44 -0.00 1.78 2.00 -1.26 -1.74 119.66 117.05 2qlx s GLN 11 Ca 0.36 1.02 -0.11 0.00 -2.00 0.00 0.00 55.36 54.62 2qlx s GLN 11 Cb 0.09 0.22 -0.05 0.00 0.80 0.00 0.00 33.01 34.07 2qlx s GLN 11 CO 0.16 -0.19 0.35 -1.17 -0.50 0.00 0.00 175.29 173.94 2qlx s LEU 12 N 2.00 4.42 0.56 3.68 2.96 -0.51 -1.39 118.68 130.41 2qlx s LEU 12 Ca -0.07 0.80 -0.20 0.00 -0.22 0.00 0.00 54.13 54.45 2qlx s LEU 12 Cb -0.09 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 2qlx s LEU 12 CO -0.15 0.30 1.22 0.20 -1.32 0.00 0.00 176.35 176.60 2qlx s ASN 13 N -1.29 5.39 0.23 3.68 0.01 0.61 -4.84 114.94 118.72 2qlx s ASN 13 Ca 0.25 2.41 -0.31 0.00 -0.71 0.00 0.00 52.86 54.50 2qlx s ASN 13 Cb -0.15 -2.60 -0.14 0.00 0.41 0.00 0.00 41.25 38.76 2qlx s ASN 13 CO 0.13 -1.46 1.21 -2.65 -1.51 0.00 0.00 177.10 172.82 2qlx n PRO 14 N -1.33 1.51 -1.21 -0.60 -0.02 -1.26 -4.64 135.00 127.44 2qlx n PRO 14 Ca 0.12 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2qlx n PRO 14 Cb 0.49 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2qlx n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qlx n GLY 15 N 1.82 0.63 2.09 -1.23 0.00 -1.26 -5.17 105.19 102.07 2qlx n GLY 15 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2qlx n GLY 15 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qlx n GLU 17 N -0.80 0.00 -0.12 1.61 2.13 -1.26 -4.80 120.64 117.41 2qlx n GLU 17 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 2qlx n GLU 17 Cb 0.33 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.03 2qlx n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qlx h ALA 18 N 0.00 0.45 -0.64 4.31 0.00 -2.00 -0.89 119.26 120.50 2qlx h ALA 18 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2qlx h ALA 18 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2qlx h ALA 18 CO 0.00 0.09 0.16 1.49 0.00 0.00 0.00 179.25 180.99 2qlx h GLU 19 N 0.41 1.03 -0.46 0.00 4.57 -1.99 -1.37 114.58 116.76 2qlx h GLU 19 Ca 0.11 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2qlx h GLU 19 Cb 0.24 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2qlx h GLU 19 CO -0.00 0.92 0.30 -0.92 -1.18 0.00 0.00 179.01 178.13 2qlx h TYR 20 N 0.95 0.58 -0.53 0.92 3.20 -1.89 -0.66 116.97 119.54 2qlx h TYR 20 Ca 0.20 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 2qlx h TYR 20 Cb 0.35 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 2qlx h TYR 20 CO 0.03 0.37 0.32 -0.09 -1.64 0.00 0.00 178.16 177.14 2qlx h ARG 21 N 0.62 0.73 -0.45 1.82 2.43 -1.04 -2.17 114.38 116.32 2qlx h ARG 21 Ca 0.17 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2qlx h ARG 21 Cb -0.07 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 2qlx h ARG 21 CO -0.04 0.53 0.17 -0.22 -1.51 0.00 0.00 179.97 178.90 2qlx h LYS 22 N 0.72 0.68 -0.47 0.20 3.64 -0.87 0.30 116.57 120.77 2qlx h LYS 22 Ca 0.19 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2qlx h LYS 22 Cb -0.01 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2qlx h LYS 22 CO -0.04 0.63 0.14 0.00 -2.27 0.00 0.00 179.45 177.92 2qlx h ARG 23 N 0.59 0.69 -0.00 1.90 3.08 -1.03 -2.16 114.38 117.45 2qlx h ARG 23 Ca 0.15 -0.12 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 2qlx h ARG 23 Cb 0.22 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2qlx h ARG 23 CO -0.01 0.61 -0.80 0.45 -1.07 0.00 0.00 179.97 179.15 2qlx h HIS 24 N 0.68 0.10 -0.47 3.04 3.86 -0.89 -2.33 115.15 119.13 2qlx h HIS 24 Ca 0.16 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 2qlx h HIS 24 Cb 0.21 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 2qlx h HIS 24 CO 0.01 0.83 0.31 -0.44 0.86 0.00 0.00 177.93 179.51 2qlx h ASP 25 N 0.04 0.46 -0.75 2.45 3.32 -0.61 -2.14 116.42 119.19 2qlx h ASP 25 Ca -0.02 -0.01 -0.31 0.00 0.02 0.00 0.00 57.03 56.72 2qlx h ASP 25 Cb 1.40 -0.11 -0.18 0.00 0.22 0.00 0.00 39.33 40.66 2qlx h ASP 25 CO 0.11 0.32 0.34 -0.62 -1.72 0.00 0.00 179.24 177.67 2qlx n GLU 26 N -4.47 2.89 -1.65 3.56 1.02 -0.84 -5.04 120.64 116.11 2qlx n GLU 26 Ca 0.05 -3.07 -0.44 0.00 -0.02 0.00 0.00 57.16 53.69 2qlx n GLU 26 Cb 0.14 -2.13 -0.01 0.00 -0.02 0.00 0.00 31.44 29.42 2qlx n GLU 26 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 2qlx n ILE 27 N -0.67 1.92 -2.18 -3.67 3.06 -0.81 -4.88 119.36 112.13 2qlx n ILE 27 Ca 0.45 -0.48 -0.42 0.00 -2.50 0.00 0.00 62.75 59.81 2qlx n ILE 27 Cb 1.41 -1.30 -0.03 0.00 0.54 0.00 0.00 39.64 40.27 2qlx n ILE 27 CO 0.00 0.00 0.00 0.26 -2.50 0.00 0.00 176.55 174.31 2qlx s TRP 28 N -1.00 3.23 0.45 9.51 0.51 -1.26 -4.91 118.94 125.47 2qlx s TRP 28 Ca 0.58 1.10 0.15 0.00 -2.12 0.00 0.00 56.10 55.81 2qlx s TRP 28 Cb -0.64 -3.65 1.08 0.00 -0.81 0.00 0.00 33.47 29.45 2qlx s TRP 28 CO 0.60 -2.15 1.99 -1.00 -0.51 0.00 0.00 176.95 175.89 2qlx h PRO 29 N 5.90 0.33 0.00 4.98 0.13 -2.00 -1.31 132.00 140.02 2qlx h PRO 29 Ca -0.44 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 2qlx h PRO 29 Cb 1.21 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2qlx h PRO 29 CO 0.81 0.22 -0.41 1.05 -0.23 0.00 0.00 178.00 179.43 2qlx h GLU 30 N 0.34 0.00 -0.15 0.86 9.09 -1.99 -0.81 114.58 121.92 2qlx h GLU 30 Ca 0.26 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.57 2qlx h GLU 30 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.66 2qlx h GLU 30 CO -0.06 0.41 -0.30 1.25 0.05 0.00 0.00 179.01 180.36 2qlx h LEU 31 N 0.00 0.52 -0.54 3.06 5.85 -1.65 -1.03 115.31 121.51 2qlx h LEU 31 Ca -0.00 -0.56 0.08 0.00 0.84 0.00 0.00 57.88 58.24 2qlx h LEU 31 Cb 0.74 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 2qlx h LEU 31 CO 0.05 0.98 0.20 0.58 -0.34 0.00 0.00 178.44 179.91 2qlx h VAL 32 N 0.08 0.80 -0.77 1.05 2.07 -1.03 0.76 116.25 119.21 2qlx h VAL 32 Ca 0.00 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2qlx h VAL 32 Cb 0.90 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2qlx h VAL 32 CO 0.07 0.07 0.45 0.44 0.02 0.00 0.00 177.57 178.62 2qlx h ASP 33 N 0.38 0.94 -0.32 0.57 3.32 -1.15 -0.50 116.42 119.66 2qlx h ASP 33 Ca 0.27 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 2qlx h ASP 33 Cb 0.30 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2qlx h ASP 33 CO -0.27 0.75 0.07 0.25 -1.72 0.00 0.00 179.24 178.31 2qlx h LEU 34 N 1.06 0.50 -0.38 1.55 5.85 -0.65 -0.72 115.31 122.53 2qlx h LEU 34 Ca 0.28 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2qlx h LEU 34 Cb -0.01 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2qlx h LEU 34 CO -0.05 0.62 0.22 -0.07 -0.34 0.00 0.00 178.44 178.82 2qlx h LEU 35 N 0.36 0.47 -0.17 2.25 3.38 -0.60 -1.63 115.31 119.38 2qlx h LEU 35 Ca 0.10 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2qlx h LEU 35 Cb 0.32 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2qlx h LEU 35 CO 0.00 0.40 -0.06 0.45 0.09 0.00 0.00 178.44 179.32 2qlx h HIS 36 N 0.49 -0.14 -0.88 1.13 3.86 -1.03 -0.72 115.15 117.86 2qlx h HIS 36 Ca 0.14 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.45 2qlx h HIS 36 Cb 0.03 0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.53 2qlx h HIS 36 CO -0.03 -0.10 0.57 1.96 0.86 0.00 0.00 177.93 181.19 2qlx h GLN 37 N -0.04 0.86 0.00 2.45 4.20 -0.80 -1.50 115.11 120.29 2qlx h GLN 37 Ca 0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2qlx h GLN 37 Cb 0.17 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2qlx h GLN 37 CO -0.19 0.57 0.00 -1.13 -0.67 0.00 0.00 178.83 177.41 2qlx n SER 38 N -4.52 0.04 0.00 1.46 3.41 -0.64 -4.88 113.62 108.49 2qlx n SER 38 Ca 0.15 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 2qlx n SER 38 Cb 0.29 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2qlx n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qlx n GLY 39 N 0.65 0.85 3.72 5.00 0.00 -0.56 -1.23 105.19 113.62 2qlx n GLY 39 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2qlx n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qlx s ALA 40 N -2.00 3.27 0.15 4.61 0.00 -0.31 -4.01 121.76 123.47 2qlx s ALA 40 Ca 0.00 0.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.27 2qlx s ALA 40 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 2qlx s ALA 40 CO 0.00 -0.10 0.16 -1.54 0.00 0.00 0.00 175.76 174.28 2qlx s SER 41 N 0.59 0.18 -1.31 0.00 1.04 -0.29 -3.80 113.70 110.11 2qlx s SER 41 Ca 0.44 -1.08 -0.04 0.00 0.48 0.00 0.00 55.95 55.75 2qlx s SER 41 Cb -0.20 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.28 2qlx s SER 41 CO 0.24 -0.81 0.61 -0.67 0.98 0.00 0.00 173.24 173.58 2qlx n ASP 42 N -0.16 -1.76 -4.63 7.02 2.03 -1.26 -0.90 116.55 116.88 2qlx n ASP 42 Ca -0.06 -0.93 -0.37 0.00 0.52 0.00 0.00 54.79 53.95 2qlx n ASP 42 Cb 0.63 -3.54 -0.10 0.00 -0.72 0.00 0.00 41.12 37.39 2qlx n ASP 42 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2qlx s TYR 43 N -3.74 3.27 0.06 -0.67 5.04 -1.26 -4.10 117.35 115.95 2qlx s TYR 43 Ca 0.11 0.20 0.03 0.00 -2.44 0.00 0.00 57.07 54.96 2qlx s TYR 43 Cb -0.04 -2.34 -0.03 0.00 0.35 0.00 0.00 41.96 39.91 2qlx s TYR 43 CO 0.85 -0.05 -0.09 -1.54 -1.34 0.00 0.00 175.55 173.38 2qlx s SER 44 N 1.40 1.10 -0.01 4.32 1.04 -0.49 -5.00 113.70 116.06 2qlx s SER 44 Ca 0.08 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 55.92 2qlx s SER 44 Cb -0.15 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 2qlx s SER 44 CO 0.08 -0.20 -0.12 -0.63 0.98 0.00 0.00 173.24 173.35 2qlx s ILE 45 N -1.62 0.94 -0.01 -1.02 1.01 -1.26 -1.48 121.20 117.76 2qlx s ILE 45 Ca -0.05 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2qlx s ILE 45 Cb -0.08 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.60 2qlx s ILE 45 CO 0.00 0.27 -0.05 -1.00 0.00 0.00 0.00 174.94 174.16 2qlx s HIS 46 N -0.23 0.47 -0.20 3.97 3.76 0.02 -4.96 115.29 118.11 2qlx s HIS 46 Ca 0.04 -0.09 -0.09 0.00 -0.15 0.00 0.00 55.06 54.77 2qlx s HIS 46 Cb -0.05 -0.33 -0.05 0.00 1.11 0.00 0.00 32.58 33.26 2qlx s HIS 46 CO -0.00 -0.03 0.10 -1.17 -0.85 0.00 0.00 174.74 172.79 2qlx s LEU 47 N 0.03 4.02 -0.54 0.89 2.96 -1.26 -0.48 118.68 124.30 2qlx s LEU 47 Ca 0.00 0.15 -0.22 0.00 -0.22 0.00 0.00 54.13 53.84 2qlx s LEU 47 Cb -0.04 -2.03 0.05 0.00 0.50 0.00 0.00 46.19 44.67 2qlx s LEU 47 CO -0.00 0.16 0.83 -0.62 -1.32 0.00 0.00 176.35 175.40 2qlx s ASP 48 N 0.44 6.29 0.51 3.68 2.15 0.34 -4.94 116.67 125.15 2qlx s ASP 48 Ca 0.06 -0.59 0.25 0.00 0.43 0.00 0.00 52.55 52.70 2qlx s ASP 48 Cb -0.12 -2.38 1.36 0.00 -0.30 0.00 0.00 42.92 41.48 2qlx s ASP 48 CO -0.00 -1.12 2.04 0.03 -0.17 0.00 0.00 175.17 175.95 2qlx h ARG 49 N 9.21 0.00 -0.52 4.34 3.08 -1.96 0.25 114.38 128.79 2qlx h ARG 49 Ca -0.27 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.70 2qlx h ARG 49 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 2qlx h ARG 49 CO 1.05 0.14 -0.00 1.49 -1.07 0.00 0.00 179.97 181.57 2qlx h GLU 50 N 0.00 0.92 -0.01 0.04 4.81 -1.96 -3.30 114.58 115.09 2qlx h GLU 50 Ca -0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2qlx h GLU 50 Cb 0.36 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2qlx h GLU 50 CO 0.02 0.94 -0.07 0.25 -0.73 0.00 0.00 179.01 179.42 2qlx n THR 51 N -4.29 0.00 -2.17 0.32 -2.24 -1.08 -4.98 114.28 99.83 2qlx n THR 51 Ca 0.01 -0.46 -0.19 0.00 -2.27 0.00 0.00 64.05 61.14 2qlx n THR 51 Cb 0.32 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.61 2qlx n THR 51 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2qlx n ASN 52 N -0.11 -5.26 -4.72 3.42 5.03 0.85 -4.94 115.26 109.53 2qlx n ASN 52 Ca 0.03 0.16 -0.41 0.00 0.87 0.00 0.00 54.58 55.22 2qlx n ASN 52 Cb 0.13 -4.48 -0.04 0.00 -1.02 0.00 0.00 39.78 34.37 2qlx n ASN 52 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2qlx s THR 53 N -2.83 4.60 -0.19 3.41 2.01 -1.17 -1.42 115.64 120.04 2qlx s THR 53 Ca 0.00 2.04 -0.09 0.00 0.31 0.00 0.00 61.69 63.96 2qlx s THR 53 Cb 0.00 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 2qlx s THR 53 CO 0.00 0.26 0.10 -0.76 -0.69 0.00 0.00 174.62 173.53 2qlx s LEU 54 N 0.35 4.05 -0.28 4.42 1.43 -1.26 -0.50 118.68 126.89 2qlx s LEU 54 Ca 0.49 0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.71 2qlx s LEU 54 Cb -0.23 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 43.96 2qlx s LEU 54 CO 0.29 0.19 0.05 0.12 0.23 0.00 0.00 176.35 177.23 2qlx s PHE 55 N 0.31 3.11 0.00 0.29 5.36 0.37 -4.17 117.98 123.25 2qlx s PHE 55 Ca 0.06 -0.93 0.02 0.00 -0.96 0.00 0.00 56.93 55.13 2qlx s PHE 55 Cb -0.12 -2.22 -0.04 0.00 -0.34 0.00 0.00 43.02 40.31 2qlx s PHE 55 CO -0.01 -0.55 -0.01 0.20 -1.46 0.00 0.00 175.22 173.39 2qlx s GLY 56 N 1.50 1.85 -0.07 13.12 0.00 -0.13 -0.80 107.32 122.79 2qlx s GLY 56 Ca 0.03 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.73 2qlx s GLY 56 CO 0.01 -0.85 0.18 0.54 0.00 0.00 0.00 173.10 172.98 2qlx s VAL 57 N -1.08 -0.02 0.18 1.40 0.11 -0.55 -1.35 120.40 119.10 2qlx s VAL 57 Ca 0.19 0.07 -0.10 0.00 -2.93 0.00 0.00 61.98 59.21 2qlx s VAL 57 Cb -0.11 -0.27 -0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2qlx s VAL 57 CO 0.10 0.03 0.34 -1.48 -3.33 0.00 0.00 175.10 170.75 2qlx s LEU 58 N 0.54 0.77 -0.10 2.54 0.05 -0.51 -1.39 118.68 120.57 2qlx s LEU 58 Ca -0.04 -0.83 -0.03 0.00 0.05 0.00 0.00 54.13 53.29 2qlx s LEU 58 Cb -0.05 1.38 -0.03 0.00 -2.05 0.00 0.00 46.19 45.43 2qlx s LEU 58 CO -0.03 -0.94 0.02 -0.89 -0.55 0.00 0.00 176.35 173.96 2qlx s THR 59 N -3.96 4.46 0.02 5.48 2.01 -0.08 -0.84 115.64 122.73 2qlx s THR 59 Ca 0.17 -0.19 -0.19 0.00 0.31 0.00 0.00 61.69 61.79 2qlx s THR 59 Cb 0.02 -2.89 0.04 0.00 0.01 0.00 0.00 72.50 69.68 2qlx s THR 59 CO 0.01 0.60 0.42 0.00 -0.69 0.00 0.00 174.62 174.96 2qlx s ARG 60 N -0.80 0.88 0.61 4.92 1.70 -0.44 -1.14 118.95 124.68 2qlx s ARG 60 Ca 0.12 -0.23 -0.18 0.00 -0.47 0.00 0.00 55.73 54.97 2qlx s ARG 60 Cb -0.12 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 2qlx s ARG 60 CO 0.02 -0.28 1.19 -1.25 -1.08 0.00 0.00 175.30 173.90 2qlx s PRO 61 N -2.01 2.89 0.28 3.89 0.04 -1.26 -0.18 135.00 138.66 2qlx s PRO 61 Ca -0.08 1.76 0.03 0.00 0.04 0.00 0.00 61.00 62.74 2qlx s PRO 61 Cb -0.02 -1.93 0.67 0.00 0.04 0.00 0.00 34.50 33.27 2qlx s PRO 61 CO 0.01 -1.25 1.73 0.87 0.04 0.00 0.00 177.00 178.40 2qlx h LYS 62 N 0.70 0.51 -1.39 4.56 6.56 -0.66 -2.53 116.57 124.31 2qlx h LYS 62 Ca -0.50 -0.03 -0.61 0.00 -1.06 0.00 0.00 60.65 58.45 2qlx h LYS 62 Cb 1.29 -0.11 -0.24 0.00 -0.57 0.00 0.00 32.23 32.59 2qlx h LYS 62 CO 0.55 0.34 0.78 -0.40 -2.06 0.00 0.00 179.45 178.65 2qlx n ASP 63 N -4.95 7.32 -4.58 0.86 5.75 0.14 -5.00 116.55 116.09 2qlx n ASP 63 Ca 0.21 -3.60 -0.29 0.00 -0.01 0.00 0.00 54.79 51.10 2qlx n ASP 63 Cb 0.58 -1.04 0.20 0.00 -1.03 0.00 0.00 41.12 39.83 2qlx n ASP 63 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2qlx s HIS 64 N -3.28 1.85 -0.32 2.11 -3.43 -0.95 -4.97 115.29 106.30 2qlx s HIS 64 Ca 0.55 0.96 0.02 0.00 -0.80 0.00 0.00 55.06 55.79 2qlx s HIS 64 Cb 0.43 -3.25 0.09 0.00 -1.43 0.00 0.00 32.58 28.41 2qlx s HIS 64 CO -0.11 -3.19 0.02 0.95 -2.00 0.00 0.00 174.74 170.42 2qlx s THR 65 N -2.89 2.45 0.00 -5.38 -4.23 -0.37 -5.01 115.64 100.22 2qlx s THR 65 Ca 0.66 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 2qlx s THR 65 Cb -0.19 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 70.99 2qlx s THR 65 CO 0.59 -0.41 0.00 0.00 -0.54 0.00 0.00 174.62 174.26 2qlx n ALA 67 N 4.38 0.00 0.97 3.99 0.00 -1.26 -3.94 120.51 124.65 2qlx n ALA 67 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.54 2qlx n ALA 67 Cb 0.42 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.31 2qlx n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qlx n SER 68 N 0.00 0.26 -0.21 0.00 2.88 -1.26 -4.39 113.62 110.90 2qlx n SER 68 Ca 0.00 0.18 -0.02 0.00 -1.33 0.00 0.00 58.87 57.70 2qlx n SER 68 Cb 0.00 -0.18 0.18 0.00 -0.75 0.00 0.00 64.21 63.46 2qlx n SER 68 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2qlx h LEU 69 N 0.00 0.90 -2.20 2.46 3.38 -1.98 -2.27 115.31 115.59 2qlx h LEU 69 Ca 0.00 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.93 2qlx h LEU 69 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2qlx h LEU 69 CO 0.00 0.76 0.20 -0.65 0.09 0.00 0.00 178.44 178.84 2qlx h PRO 70 N 0.99 0.00 -0.01 1.13 0.11 -1.96 -0.04 132.00 132.22 2qlx h PRO 70 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2qlx h PRO 70 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2qlx h PRO 70 CO -0.03 0.00 -0.05 -0.25 -0.21 0.00 0.00 178.00 177.45 2qlx n ASP 71 N -3.91 0.98 -4.69 -2.05 8.00 -0.86 -4.67 116.55 109.36 2qlx n ASP 71 Ca 0.02 -1.17 -0.39 0.00 0.71 0.00 0.00 54.79 53.96 2qlx n ASP 71 Cb 0.32 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 2qlx n ASP 71 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2qlx s HIS 72 N -2.15 3.45 0.43 1.24 2.46 -0.03 -4.98 115.29 115.71 2qlx s HIS 72 Ca 0.36 0.93 0.17 0.00 0.47 0.00 0.00 55.06 57.00 2qlx s HIS 72 Cb 0.21 -2.69 1.09 0.00 -0.13 0.00 0.00 32.58 31.06 2qlx s HIS 72 CO 0.39 -0.00 1.88 -1.00 -2.47 0.00 0.00 174.74 173.54 2qlx h PRO 73 N 7.11 0.38 -1.07 2.88 0.13 -1.89 -1.15 132.00 138.39 2qlx h PRO 73 Ca -0.37 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2qlx h PRO 73 Cb 1.17 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2qlx h PRO 73 CO 0.76 0.25 0.00 0.28 -0.23 0.00 0.00 178.00 179.06 2qlx n VAL 74 N -4.49 0.26 0.00 1.56 0.31 -1.26 -0.44 118.33 114.28 2qlx n VAL 74 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 2qlx n VAL 74 Cb 0.64 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 2qlx n VAL 74 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qlx n LYS 76 N 0.55 0.00 -0.26 5.55 5.02 -0.43 -1.55 118.16 127.04 2qlx n LYS 76 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 2qlx n LYS 76 Cb 0.18 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.24 2qlx n LYS 76 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2qlx h LYS 77 N 0.00 1.10 -0.48 1.97 1.57 -1.02 -0.34 116.57 119.37 2qlx h LYS 77 Ca 0.00 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 2qlx h LYS 77 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2qlx h LYS 77 CO 0.00 0.92 0.16 2.35 -0.57 0.00 0.00 179.45 182.31 2qlx h TRP 78 N 1.04 0.77 -0.92 -1.35 2.91 -1.53 -0.59 115.95 116.28 2qlx h TRP 78 Ca 0.24 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 2qlx h TRP 78 Cb 0.26 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 28.64 2qlx h TRP 78 CO 0.02 0.67 0.54 -1.49 -1.03 0.00 0.00 178.44 177.15 2qlx h TRP 79 N 0.64 1.23 -0.79 2.65 6.55 -1.76 -1.81 115.95 122.66 2qlx h TRP 79 Ca 0.16 -0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.99 2qlx h TRP 79 Cb 0.26 -0.40 -0.04 0.00 -0.86 0.00 0.00 29.16 28.12 2qlx h TRP 79 CO 0.01 0.83 0.52 0.00 -1.05 0.00 0.00 178.44 178.75 2qlx h ALA 80 N 1.30 1.01 0.00 1.49 0.00 -0.85 0.02 119.26 122.23 2qlx h ALA 80 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2qlx h ALA 80 Cb -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2qlx h ALA 80 CO -0.06 0.43 0.00 1.58 0.00 0.00 0.00 179.25 181.20 2qlx n HIS 81 N -4.52 0.00 0.00 0.00 -0.00 -0.25 -4.48 115.22 105.97 2qlx n HIS 81 Ca 0.08 -0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 2qlx n HIS 81 Cb 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 29.98 2qlx n HIS 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qlx n ALA 83 N 0.49 0.00 0.44 1.57 0.00 -0.01 -4.83 120.51 118.17 2qlx n ALA 83 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2qlx n ALA 83 Cb 0.04 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.90 2qlx n ALA 83 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qlx n ASP 84 N 0.13 0.34 -1.56 0.00 5.75 -1.26 -4.79 116.55 115.17 2qlx n ASP 84 Ca 0.00 0.59 -0.14 0.00 -0.01 0.00 0.00 54.79 55.22 2qlx n ASP 84 Cb 0.00 -0.66 0.09 0.00 -1.03 0.00 0.00 41.12 39.52 2qlx n ASP 84 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2qlx n ILE 85 N -1.88 2.45 -3.57 2.12 -5.35 -1.26 -5.01 119.36 106.85 2qlx n ILE 85 Ca 0.03 -3.85 -0.37 0.00 -0.27 0.00 0.00 62.75 58.29 2qlx n ILE 85 Cb 0.20 -0.84 -0.09 0.00 -1.74 0.00 0.00 39.64 37.18 2qlx n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qlx s ALA 87 N -3.48 3.60 0.16 -1.28 0.00 -0.49 -0.28 121.76 119.99 2qlx s ALA 87 Ca 0.47 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.79 2qlx s ALA 87 Cb 0.40 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2qlx s ALA 87 CO 0.00 -0.16 -0.17 0.95 0.00 0.00 0.00 175.76 176.38 2qlx s THR 88 N 1.01 1.70 0.82 0.00 -4.23 -1.26 -1.45 115.64 112.23 2qlx s THR 88 Ca 0.12 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.59 2qlx s THR 88 Cb -0.14 -1.81 0.10 0.00 1.34 0.00 0.00 72.50 72.00 2qlx s THR 88 CO 0.05 -0.38 1.18 0.20 -0.54 0.00 0.00 174.62 175.12 2qlx s ASN 89 N -2.73 4.24 0.39 3.99 0.01 0.81 -4.72 114.94 116.93 2qlx s ASN 89 Ca 0.15 0.58 0.17 0.00 -0.71 0.00 0.00 52.86 53.06 2qlx s ASN 89 Cb -0.05 -0.99 1.08 0.00 0.41 0.00 0.00 41.25 41.70 2qlx s ASN 89 CO 0.06 -2.04 1.77 -0.65 -1.51 0.00 0.00 177.10 174.73 2qlx h PRO 90 N -1.10 0.40 -0.66 -0.60 0.11 -2.00 -1.65 132.00 126.50 2qlx h PRO 90 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qlx h PRO 90 Cb 1.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qlx h PRO 90 CO 0.58 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.24 2qlx n ASP 91 N -4.65 2.27 0.00 -2.05 5.68 -1.26 -4.84 116.55 111.69 2qlx n ASP 91 Ca 0.25 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 2qlx n ASP 91 Cb 0.86 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 2qlx n ASP 91 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2qlx n ASN 92 N 0.24 0.00 -4.78 -1.12 3.02 -0.62 -5.01 115.26 106.99 2qlx n ASN 92 Ca 0.09 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.29 2qlx n ASN 92 Cb 0.47 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.24 2qlx n ASN 92 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qlx s SER 93 N -3.34 6.18 0.42 6.41 1.04 -1.26 -4.67 113.70 118.48 2qlx s SER 93 Ca 0.00 2.14 -0.26 0.00 0.48 0.00 0.00 55.95 58.31 2qlx s SER 93 Cb 0.00 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.44 2qlx s SER 93 CO 0.00 -0.90 1.42 -2.16 0.98 0.00 0.00 173.24 172.58 2qlx s PRO 94 N -2.94 3.88 0.14 4.02 0.04 -1.26 -0.14 135.00 138.74 2qlx s PRO 94 Ca 0.66 2.42 -0.31 0.00 0.04 0.00 0.00 61.00 63.81 2qlx s PRO 94 Cb -0.23 -2.79 -0.10 0.00 0.04 0.00 0.00 34.50 31.42 2qlx s PRO 94 CO 0.28 -0.66 1.71 0.08 0.04 0.00 0.00 177.00 178.45 2qlx s VAL 95 N -1.18 2.58 -0.10 -0.36 1.01 -0.53 -4.63 120.40 117.18 2qlx s VAL 95 Ca 0.57 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 2qlx s VAL 95 Cb -0.44 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 32.82 2qlx s VAL 95 CO 0.57 0.01 0.33 -1.58 0.00 0.00 0.00 175.10 174.43 2qlx s GLN 96 N 2.04 0.46 0.04 2.72 0.74 -1.26 -4.14 119.66 120.26 2qlx s GLN 96 Ca 0.75 0.31 0.04 0.00 0.05 0.00 0.00 55.36 56.51 2qlx s GLN 96 Cb -0.45 0.22 -0.02 0.00 1.10 0.00 0.00 33.01 33.86 2qlx s GLN 96 CO 0.33 -0.08 -0.11 -1.12 -0.55 0.00 0.00 175.29 173.76 2qlx s SER 97 N -0.18 1.28 0.35 6.67 0.01 -0.71 -4.97 113.70 116.15 2qlx s SER 97 Ca -0.03 -0.46 -0.25 0.00 1.31 0.00 0.00 55.95 56.52 2qlx s SER 97 Cb -0.03 -0.05 -0.10 0.00 0.21 0.00 0.00 66.02 66.05 2qlx s SER 97 CO 0.01 -0.05 1.00 -1.81 0.41 0.00 0.00 173.24 172.80 2qlx s ASP 98 N -1.21 7.11 0.25 2.44 1.01 -1.26 -0.69 116.67 124.31 2qlx s ASP 98 Ca -0.02 1.94 0.07 0.00 0.71 0.00 0.00 52.55 55.25 2qlx s ASP 98 Cb -0.08 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.23 2qlx s ASP 98 CO 0.01 -0.24 0.24 -0.76 0.21 0.00 0.00 175.17 174.63 2qlx s LEU 99 N -2.24 3.95 -0.18 1.23 1.02 0.02 -4.90 118.68 117.58 2qlx s LEU 99 Ca 0.53 -0.17 -0.07 0.00 0.02 0.00 0.00 54.13 54.44 2qlx s LEU 99 Cb -0.21 -2.48 -0.04 0.00 0.02 0.00 0.00 46.19 43.48 2qlx s LEU 99 CO 0.26 -0.05 0.05 0.54 0.02 0.00 0.00 176.35 177.18 2qlx s VAL 100 N -2.09 4.65 -0.16 -1.59 0.11 -1.26 -4.48 120.40 115.58 2qlx s VAL 100 Ca 0.33 -0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 59.01 2qlx s VAL 100 Cb -0.08 -3.09 -0.01 0.00 -1.53 0.00 0.00 36.38 31.66 2qlx s VAL 100 CO 0.26 0.46 1.22 -0.89 -3.33 0.00 0.00 175.10 172.82 2qlx s THR 101 N 0.38 4.34 -0.48 5.04 2.01 -1.26 -4.90 115.64 120.78 2qlx s THR 101 Ca 0.02 1.63 0.15 0.00 0.31 0.00 0.00 61.69 63.80 2qlx s THR 101 Cb -0.13 -4.05 -0.19 0.00 0.01 0.00 0.00 72.50 68.14 2qlx s THR 101 CO 0.01 -0.12 0.53 0.18 -0.69 0.00 0.00 174.62 174.53 2qlx n LEU 102 N 6.32 0.47 -3.64 4.42 4.77 -1.26 -5.02 117.00 123.07 2qlx n LEU 102 Ca 0.13 -0.33 -0.10 0.00 -0.03 0.00 0.00 56.01 55.68 2qlx n LEU 102 Cb 0.45 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 2qlx n LEU 102 CO 0.55 0.12 0.46 0.12 -1.33 0.00 0.00 177.39 177.31 2qlx s PHE 103 N -2.63 -0.83 0.11 -1.77 5.36 -1.26 -5.31 117.98 111.64 2qlx s PHE 103 Ca 0.02 1.84 0.02 0.00 -0.96 0.00 0.00 56.93 57.85 2qlx s PHE 103 Cb 0.11 0.43 -0.01 0.00 -0.34 0.00 0.00 43.02 43.21 2qlx s PHE 103 CO 0.62 -0.41 0.10 1.58 -1.46 0.00 0.00 175.22 175.65 2qlx n HIS 104 N 3.34 -0.31 0.35 10.12 -0.00 -1.26 -5.12 115.22 122.34 2qlx n HIS 104 Ca -0.16 -0.87 0.04 0.00 -0.00 0.00 0.00 57.72 56.72 2qlx n HIS 104 Cb 0.57 0.10 0.03 0.00 -0.00 0.00 0.00 29.99 30.70 2qlx n HIS 104 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04