#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxt s ASN 4 N 0.00 4.86 0.57 0.41 0.01 -1.26 -4.96 114.94 114.57 2qxt s ASN 4 Ca 0.00 1.84 -0.20 0.00 -0.71 0.00 0.00 52.86 53.79 2qxt s ASN 4 Cb 0.00 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 2qxt s ASN 4 CO 0.00 -1.79 1.26 -2.84 -1.51 0.00 0.00 177.10 172.22 2qxt s PRO 5 N -4.67 3.06 -0.15 -0.60 0.02 -1.26 -4.66 135.00 126.74 2qxt s PRO 5 Ca 0.62 1.97 -0.03 0.00 0.02 0.00 0.00 61.00 63.59 2qxt s PRO 5 Cb -0.17 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.25 2qxt s PRO 5 CO 0.51 -1.18 -0.04 0.08 -0.33 0.00 0.00 177.00 176.04 2qxt s VAL 6 N -1.47 3.87 -0.26 3.83 1.01 0.76 -1.37 120.40 126.77 2qxt s VAL 6 Ca 0.75 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 2qxt s VAL 6 Cb -0.34 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2qxt s VAL 6 CO 0.38 0.51 0.00 -0.69 0.00 0.00 0.00 175.10 175.31 2qxt s VAL 7 N 0.23 3.49 -0.17 2.92 1.01 -0.07 0.67 120.40 128.48 2qxt s VAL 7 Ca -0.03 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 2qxt s VAL 7 Cb -0.14 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2qxt s VAL 7 CO 0.03 0.22 0.27 -0.04 0.00 0.00 0.00 175.10 175.58 2qxt s MET 8 N 1.45 4.25 -0.25 2.72 -1.94 -0.22 -2.34 119.30 122.96 2qxt s MET 8 Ca 0.03 0.05 -0.02 0.00 -1.71 0.00 0.00 55.69 54.03 2qxt s MET 8 Cb -0.16 -3.43 0.02 0.00 2.01 0.00 0.00 34.83 33.27 2qxt s MET 8 CO -0.01 0.23 -0.04 0.08 -0.01 0.00 0.00 175.02 175.27 2qxt s VAL 9 N 0.50 3.01 0.76 -6.03 1.01 0.05 -2.05 120.40 117.65 2qxt s VAL 9 Ca 0.15 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 2qxt s VAL 9 Cb -0.13 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 33.77 2qxt s VAL 9 CO 0.03 0.19 1.12 -1.38 0.00 0.00 0.00 175.10 175.06 2qxt s HIS 10 N 1.35 3.09 0.00 5.22 -3.43 -1.26 -1.14 115.29 119.11 2qxt s HIS 10 Ca 0.01 0.98 0.00 0.00 -0.80 0.00 0.00 55.06 55.25 2qxt s HIS 10 Cb -0.17 -3.20 0.00 0.00 -1.43 0.00 0.00 32.58 27.78 2qxt s HIS 10 CO -0.04 -1.51 0.00 0.41 -2.00 0.00 0.00 174.74 171.60 2qxt n GLY 11 N -2.85 2.20 3.72 -1.38 0.00 -1.11 -3.47 105.19 102.31 2qxt n GLY 11 Ca 0.07 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2qxt n GLY 11 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qxt n ILE 12 N 0.00 0.14 -0.99 -0.61 5.41 -1.26 -1.28 119.36 120.76 2qxt n ILE 12 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2qxt n ILE 12 Cb 0.00 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 36.94 2qxt n ILE 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qxt n GLY 13 N 3.73 0.18 2.55 7.39 0.00 -0.72 -4.98 105.19 113.34 2qxt n GLY 13 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 2qxt n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxt n GLY 14 N -0.46 -0.07 3.41 -0.02 0.00 -0.41 -5.13 105.19 102.51 2qxt n GLY 14 Ca 0.00 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 2qxt n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxt s ALA 15 N -3.38 -1.47 0.58 4.61 0.00 -1.26 -4.90 121.76 115.93 2qxt s ALA 15 Ca 0.46 0.48 0.29 0.00 0.00 0.00 0.00 51.96 53.19 2qxt s ALA 15 Cb -0.02 0.73 1.47 0.00 0.00 0.00 0.00 23.12 25.29 2qxt s ALA 15 CO 0.31 -0.69 1.89 0.66 0.00 0.00 0.00 175.76 177.93 2qxt h SER 16 N 2.23 0.00 0.00 0.00 4.64 -1.89 0.73 113.55 119.26 2qxt h SER 16 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2qxt h SER 16 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2qxt h SER 16 CO 0.40 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.58 2qxt n PHE 17 N -3.75 0.00 0.29 4.77 1.16 -1.26 -2.71 117.46 115.95 2qxt n PHE 17 Ca 0.09 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.82 2qxt n PHE 17 Cb 0.71 0.00 0.42 0.00 -1.61 0.00 0.00 39.48 38.99 2qxt n PHE 17 CO 0.00 0.00 0.00 -0.91 -1.87 0.00 0.00 176.76 173.98 2qxt h ASN 18 N 0.00 0.00 -0.56 5.98 2.35 -1.26 -3.05 115.58 119.04 2qxt h ASN 18 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qxt h ASN 18 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2qxt h ASN 18 CO 0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 2qxt n PHE 19 N -2.97 1.10 -0.04 1.19 3.72 -1.10 -4.47 117.46 114.89 2qxt n PHE 19 Ca 0.03 -0.46 -0.09 0.00 -0.05 0.00 0.00 57.45 56.88 2qxt n PHE 19 Cb 0.41 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 2qxt n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qxt h ALA 20 N 3.95 0.20 0.31 4.37 0.00 -1.73 0.24 119.26 126.61 2qxt h ALA 20 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2qxt h ALA 20 Cb 1.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2qxt h ALA 20 CO 0.13 -0.40 -0.17 0.78 0.00 0.00 0.00 179.25 179.60 2qxt h GLY 21 N 0.11 -0.46 1.41 0.00 0.00 -1.83 -1.75 103.07 100.55 2qxt h GLY 21 Ca 0.09 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2qxt h GLY 21 CO -0.12 -0.17 0.37 -2.22 0.00 0.00 0.00 176.54 174.40 2qxt h ILE 22 N -0.45 1.16 -0.53 2.60 2.04 -1.71 -1.56 117.51 119.06 2qxt h ILE 22 Ca -0.04 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 2qxt h ILE 22 Cb 0.35 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2qxt h ILE 22 CO 0.06 0.16 0.01 0.50 0.00 0.00 0.00 178.15 178.87 2qxt h LYS 23 N 0.81 0.93 -0.52 2.37 3.64 -0.29 -1.65 116.57 121.86 2qxt h LYS 23 Ca 0.22 -0.29 -0.11 0.00 -1.27 0.00 0.00 60.65 59.20 2qxt h LYS 23 Cb -0.06 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2qxt h LYS 23 CO -0.04 0.95 -0.10 0.77 -2.27 0.00 0.00 179.45 178.76 2qxt h SER 24 N 0.81 0.96 0.11 4.20 0.02 -0.85 -1.97 113.55 116.84 2qxt h SER 24 Ca 0.15 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2qxt h SER 24 Cb 0.52 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2qxt h SER 24 CO 0.03 1.07 -0.05 0.22 -1.14 0.00 0.00 176.83 176.95 2qxt h TYR 25 N 0.87 -0.14 -0.63 3.45 3.20 -1.10 -1.31 116.97 121.30 2qxt h TYR 25 Ca 0.14 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.04 2qxt h TYR 25 Cb 0.64 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 2qxt h TYR 25 CO 0.04 -0.04 0.39 -0.07 -1.64 0.00 0.00 178.16 176.84 2qxt h LEU 26 N -0.20 0.63 -0.86 2.82 3.38 -1.23 -1.50 115.31 118.35 2qxt h LEU 26 Ca -0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2qxt h LEU 26 Cb 0.16 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2qxt h LEU 26 CO 0.03 0.44 0.53 0.58 0.09 0.00 0.00 178.44 180.11 2qxt h VAL 27 N 0.76 1.04 0.00 1.22 2.07 -1.14 0.19 116.25 120.39 2qxt h VAL 27 Ca 0.26 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2qxt h VAL 27 Cb 0.03 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 2qxt h VAL 27 CO -0.11 0.18 0.00 -1.54 0.02 0.00 0.00 177.57 176.12 2qxt n SER 28 N -4.62 0.00 -0.74 0.57 3.41 -0.51 -2.26 113.62 109.47 2qxt n SER 28 Ca 0.12 0.31 0.09 0.00 -0.26 0.00 0.00 58.87 59.13 2qxt n SER 28 Cb 0.18 -0.41 0.09 0.00 -0.26 0.00 0.00 64.21 63.80 2qxt n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qxt n GLN 29 N -1.41 1.60 0.00 4.33 1.13 0.59 -4.97 117.38 118.64 2qxt n GLN 29 Ca 0.06 -1.64 0.00 0.00 -1.94 0.00 0.00 57.00 53.48 2qxt n GLN 29 Cb 0.18 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.18 2qxt n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qxt n GLY 30 N 1.02 1.02 3.74 1.08 0.00 -0.86 -5.06 105.19 106.13 2qxt n GLY 30 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2qxt n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qxt s TRP 31 N -2.00 3.87 -0.14 1.61 0.51 -0.74 -4.99 118.94 117.06 2qxt s TRP 31 Ca 0.00 1.84 -0.29 0.00 -2.12 0.00 0.00 56.10 55.52 2qxt s TRP 31 Cb 0.00 -3.05 -0.03 0.00 -0.81 0.00 0.00 33.47 29.58 2qxt s TRP 31 CO 0.00 0.21 1.39 -1.12 -0.51 0.00 0.00 176.95 176.92 2qxt s SER 32 N -0.66 6.83 0.42 2.95 0.01 -1.26 -4.18 113.70 117.81 2qxt s SER 32 Ca 0.44 1.83 0.21 0.00 1.31 0.00 0.00 55.95 59.74 2qxt s SER 32 Cb -0.26 -2.54 1.16 0.00 0.21 0.00 0.00 66.02 64.60 2qxt s SER 32 CO 0.32 -0.84 1.79 -0.09 0.41 0.00 0.00 173.24 174.83 2qxt h ARG 33 N 8.72 0.33 0.00 12.44 9.65 -1.94 0.47 114.38 144.05 2qxt h ARG 33 Ca -0.30 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 2qxt h ARG 33 Cb 1.13 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 2qxt h ARG 33 CO 0.97 0.22 0.00 -0.25 2.80 0.00 0.00 179.97 183.71 2qxt n ASP 34 N -4.55 0.00 -0.07 -3.80 10.43 -1.26 -2.74 116.55 114.55 2qxt n ASP 34 Ca 0.24 -0.67 0.05 0.00 2.57 0.00 0.00 54.79 56.99 2qxt n ASP 34 Cb 0.90 -0.05 0.08 0.00 1.84 0.00 0.00 41.12 43.89 2qxt n ASP 34 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2qxt n LYS 35 N -1.05 2.13 -3.93 -1.24 4.76 0.16 -4.94 118.16 114.06 2qxt n LYS 35 Ca 0.18 -2.09 -0.35 0.00 -2.87 0.00 0.00 58.31 53.18 2qxt n LYS 35 Cb 0.11 -1.28 -0.14 0.00 -1.84 0.00 0.00 35.03 31.88 2qxt n LYS 35 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qxt s LEU 36 N -1.99 3.58 0.33 -0.35 1.43 -1.11 -0.17 118.68 120.40 2qxt s LEU 36 Ca 0.18 -1.10 0.08 0.00 -1.03 0.00 0.00 54.13 52.26 2qxt s LEU 36 Cb 0.15 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2qxt s LEU 36 CO 0.02 -0.20 0.13 -0.31 0.23 0.00 0.00 176.35 176.22 2qxt s TYR 37 N 1.28 2.71 -0.15 0.29 1.51 0.21 -4.97 117.35 118.24 2qxt s TYR 37 Ca -0.03 -0.37 -0.05 0.00 -1.01 0.00 0.00 57.07 55.61 2qxt s TYR 37 Cb -0.18 -1.61 0.07 0.00 -0.11 0.00 0.00 41.96 40.13 2qxt s TYR 37 CO -0.03 0.36 0.31 0.00 -1.11 0.00 0.00 175.55 175.08 2qxt s ALA 38 N -2.42 -0.74 0.60 3.71 0.00 -1.26 -1.05 121.76 120.60 2qxt s ALA 38 Ca 0.37 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 53.31 2qxt s ALA 38 Cb -0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 2qxt s ALA 38 CO 0.22 -0.67 1.02 0.54 0.00 0.00 0.00 175.76 176.88 2qxt s VAL 39 N 2.47 4.50 -0.24 0.00 0.11 -0.87 -4.84 120.40 121.52 2qxt s VAL 39 Ca 0.00 0.94 -0.01 0.00 -2.93 0.00 0.00 61.98 59.99 2qxt s VAL 39 Cb -0.12 -3.73 0.07 0.00 -1.53 0.00 0.00 36.38 31.07 2qxt s VAL 39 CO -0.10 -0.94 0.02 -1.81 -3.33 0.00 0.00 175.10 168.94 2qxt s ASP 40 N -3.72 3.61 0.18 3.54 1.01 -1.26 -3.85 116.67 116.18 2qxt s ASP 40 Ca 0.57 -1.21 -0.26 0.00 0.71 0.00 0.00 52.55 52.36 2qxt s ASP 40 Cb -0.11 -0.92 -0.08 0.00 1.01 0.00 0.00 42.92 42.81 2qxt s ASP 40 CO 0.47 -0.31 0.81 -0.36 0.21 0.00 0.00 175.17 175.99 2qxt s PHE 41 N 1.59 3.93 -0.21 4.23 0.08 -1.26 -4.97 117.98 121.36 2qxt s PHE 41 Ca 0.00 1.70 0.18 0.00 0.12 0.00 0.00 56.93 58.94 2qxt s PHE 41 Cb -0.18 -2.82 0.04 0.00 -0.57 0.00 0.00 43.02 39.49 2qxt s PHE 41 CO -0.11 0.50 1.20 0.11 -0.10 0.00 0.00 175.22 176.82 2qxt h TRP 42 N 4.28 0.00 -3.26 0.36 5.08 -1.99 -3.42 115.95 116.99 2qxt h TRP 42 Ca -0.47 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 58.91 2qxt h TRP 42 Cb 1.20 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 27.25 2qxt h TRP 42 CO 0.63 0.33 0.64 0.34 -1.28 0.00 0.00 178.44 179.10 2qxt s ASP 43 N -5.98 6.38 0.30 0.11 -1.08 -1.26 -4.89 116.67 110.25 2qxt s ASP 43 Ca 0.01 -0.21 0.26 0.00 -0.52 0.00 0.00 52.55 52.09 2qxt s ASP 43 Cb 0.08 -2.46 0.97 0.00 -1.46 0.00 0.00 42.92 40.05 2qxt s ASP 43 CO 0.76 -1.25 1.77 0.11 0.52 0.00 0.00 175.17 177.08 2qxt h LYS 44 N 9.32 0.00 -0.00 4.34 6.56 -1.97 -2.64 116.57 132.18 2qxt h LYS 44 Ca -0.26 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.33 2qxt h LYS 44 Cb 1.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 2qxt h LYS 44 CO 1.10 0.00 -0.14 0.25 -2.06 0.00 0.00 179.45 178.60 2qxt n THR 45 N -2.43 0.00 -2.53 -0.16 -2.24 -1.26 -1.76 114.28 103.89 2qxt n THR 45 Ca 0.03 -0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.62 2qxt n THR 45 Cb 0.30 -0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.32 2qxt n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qxt n GLY 46 N 1.41 -0.28 3.77 3.38 0.00 -1.00 -4.86 105.19 107.62 2qxt n GLY 46 Ca 0.10 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 2qxt n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qxt s THR 47 N -2.90 3.12 0.21 2.61 -4.23 -1.26 -4.87 115.64 108.32 2qxt s THR 47 Ca 0.10 0.97 -0.09 0.00 -1.18 0.00 0.00 61.69 61.49 2qxt s THR 47 Cb -0.04 -3.56 0.17 0.00 1.34 0.00 0.00 72.50 70.40 2qxt s THR 47 CO 0.12 0.12 1.83 0.78 -0.54 0.00 0.00 174.62 176.93 2qxt h ASN 48 N 2.81 1.00 -0.76 3.99 2.35 -1.94 -0.87 115.58 122.16 2qxt h ASN 48 Ca -0.49 -0.10 0.17 0.00 -0.55 0.00 0.00 56.30 55.34 2qxt h ASN 48 Cb 1.23 -0.25 -0.13 0.00 0.05 0.00 0.00 38.32 39.22 2qxt h ASN 48 CO 0.63 0.81 0.04 0.22 -1.65 0.00 0.00 177.43 177.49 2qxt h TYR 49 N 1.11 0.02 0.14 1.19 3.20 -2.01 0.18 116.97 120.80 2qxt h TYR 49 Ca 0.28 0.05 -0.34 0.00 3.14 0.00 0.00 58.73 61.86 2qxt h TYR 49 Cb 0.03 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2qxt h TYR 49 CO 0.00 -0.22 -1.78 -0.91 -1.64 0.00 0.00 178.16 173.61 2qxt h ASN 50 N 0.13 0.46 0.46 -2.11 2.35 -1.90 -3.41 115.58 111.55 2qxt h ASN 50 Ca 0.42 -0.91 -0.25 0.00 -0.55 0.00 0.00 56.30 55.01 2qxt h ASN 50 Cb 0.75 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.97 2qxt h ASN 50 CO -0.64 1.78 -1.08 0.78 -1.65 0.00 0.00 177.43 176.62 2qxt h ASN 51 N -0.04 0.49 -0.54 5.81 4.21 -0.98 -3.32 115.58 121.22 2qxt h ASN 51 Ca -0.37 -0.45 0.06 0.00 1.21 0.00 0.00 56.30 56.75 2qxt h ASN 51 Cb 1.97 -0.15 -0.09 0.00 -1.12 0.00 0.00 38.32 38.93 2qxt h ASN 51 CO 0.10 1.29 -0.55 1.23 -1.29 0.00 0.00 177.43 178.21 2qxt h GLY 52 N 1.35 -0.90 0.64 2.83 0.00 -0.84 0.08 103.07 106.23 2qxt h GLY 52 Ca -0.11 0.71 0.05 0.00 0.00 0.00 0.00 47.33 47.99 2qxt h GLY 52 CO 0.18 -0.09 0.21 -2.55 0.00 0.00 0.00 176.54 174.29 2qxt h PRO 53 N -0.31 0.40 -0.62 4.80 0.11 -1.78 -0.64 132.00 133.97 2qxt h PRO 53 Ca 0.10 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.26 2qxt h PRO 53 Cb 0.56 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.52 2qxt h PRO 53 CO -0.67 0.26 0.31 0.28 -0.21 0.00 0.00 178.00 177.97 2qxt h VAL 54 N 0.41 0.90 -0.47 3.15 2.07 -1.42 -0.08 116.25 120.81 2qxt h VAL 54 Ca 0.22 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 2qxt h VAL 54 Cb 0.19 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2qxt h VAL 54 CO -0.20 0.10 0.03 0.25 0.02 0.00 0.00 177.57 177.77 2qxt h LEU 55 N 0.56 0.80 -0.38 2.57 5.85 -0.53 -0.43 115.31 123.75 2qxt h LEU 55 Ca 0.29 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2qxt h LEU 55 Cb 0.25 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2qxt h LEU 55 CO -0.22 0.89 0.18 -1.28 -0.34 0.00 0.00 178.44 177.67 2qxt h SER 56 N 0.68 0.25 -0.05 1.25 0.87 -0.37 -0.46 113.55 115.71 2qxt h SER 56 Ca 0.14 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.63 2qxt h SER 56 Cb 0.47 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2qxt h SER 56 CO 0.02 0.18 -0.23 0.03 -0.53 0.00 0.00 176.83 176.30 2qxt h ARG 57 N 0.36 0.46 -0.09 2.24 3.08 -0.90 -1.84 114.38 117.70 2qxt h ARG 57 Ca 0.16 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2qxt h ARG 57 Cb 0.09 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2qxt h ARG 57 CO -0.13 0.67 0.00 0.35 -1.07 0.00 0.00 179.97 179.79 2qxt h PHE 58 N 0.41 0.17 -0.68 3.04 3.57 -0.42 -2.14 116.94 120.90 2qxt h PHE 58 Ca 0.06 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2qxt h PHE 58 Cb 0.64 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 2qxt h PHE 58 CO 0.02 0.41 0.23 0.28 -2.23 0.00 0.00 178.31 177.02 2qxt h VAL 59 N -0.12 1.25 -0.74 1.41 2.07 -1.05 -1.73 116.25 117.34 2qxt h VAL 59 Ca 0.02 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 2qxt h VAL 59 Cb 0.34 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2qxt h VAL 59 CO 0.00 0.33 0.39 -0.61 0.02 0.00 0.00 177.57 177.70 2qxt h GLN 60 N 0.98 1.03 -0.49 1.57 5.75 -1.27 -0.23 115.11 122.45 2qxt h GLN 60 Ca 0.22 -0.12 -0.12 0.00 -0.15 0.00 0.00 58.65 58.48 2qxt h GLN 60 Cb 0.27 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2qxt h GLN 60 CO -0.01 0.77 -0.17 0.87 -2.65 0.00 0.00 178.83 177.64 2qxt h LYS 61 N 1.03 0.99 -0.66 1.69 1.57 -1.03 -1.47 116.57 118.69 2qxt h LYS 61 Ca 0.26 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 2qxt h LYS 61 Cb 0.05 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2qxt h LYS 61 CO -0.04 1.08 0.30 0.28 -0.57 0.00 0.00 179.45 180.50 2qxt h VAL 62 N 0.85 1.23 0.04 0.50 2.07 -0.77 -0.05 116.25 120.11 2qxt h VAL 62 Ca 0.12 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2qxt h VAL 62 Cb 0.75 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2qxt h VAL 62 CO 0.06 0.27 -0.02 -0.07 0.02 0.00 0.00 177.57 177.83 2qxt h LEU 63 N 0.91 -0.05 -0.61 2.57 3.38 -0.90 -1.58 115.31 119.03 2qxt h LEU 63 Ca 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2qxt h LEU 63 Cb 0.14 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2qxt h LEU 63 CO -0.03 0.05 0.34 0.44 0.09 0.00 0.00 178.44 179.34 2qxt h ASP 64 N -0.14 0.76 -0.17 -0.43 3.32 -1.10 0.45 116.42 119.12 2qxt h ASP 64 Ca -0.01 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 2qxt h ASP 64 Cb 0.13 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2qxt h ASP 64 CO 0.01 0.63 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.68 2qxt h GLU 65 N 0.83 0.56 0.00 3.56 5.08 -0.90 -3.27 114.58 120.44 2qxt h GLU 65 Ca 0.22 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2qxt h GLU 65 Cb 0.04 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2qxt h GLU 65 CO -0.04 0.69 -1.78 0.25 -1.00 0.00 0.00 179.01 177.14 2qxt n THR 66 N -4.17 0.06 -0.98 1.13 -2.24 -0.61 -4.97 114.28 102.49 2qxt n THR 66 Ca 0.01 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2qxt n THR 66 Cb 0.35 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 2qxt n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qxt n GLY 67 N 1.28 0.67 3.80 3.38 0.00 0.14 -5.01 105.19 109.46 2qxt n GLY 67 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2qxt n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxt s ALA 68 N -2.76 2.77 -0.00 4.61 0.00 -1.21 -4.99 121.76 120.18 2qxt s ALA 68 Ca 0.00 0.43 -0.09 0.00 0.00 0.00 0.00 51.96 52.29 2qxt s ALA 68 Cb 0.00 -3.23 -0.31 0.00 0.00 0.00 0.00 23.12 19.58 2qxt s ALA 68 CO 0.00 -0.70 0.86 0.87 0.00 0.00 0.00 175.76 176.78 2qxt h LYS 69 N 0.65 0.38 -4.24 0.00 1.57 -1.95 -3.45 116.57 109.54 2qxt h LYS 69 Ca -0.47 -0.66 -0.15 0.00 -1.87 0.00 0.00 60.65 57.50 2qxt h LYS 69 Cb 1.22 0.24 -0.14 0.00 0.08 0.00 0.00 32.23 33.63 2qxt h LYS 69 CO 0.58 1.29 -0.55 0.15 -0.57 0.00 0.00 179.45 180.34 2qxt s LYS 70 N -2.60 0.97 0.34 3.15 1.02 -1.26 -4.79 119.74 116.56 2qxt s LYS 70 Ca -0.11 -1.34 0.10 0.00 0.02 0.00 0.00 55.97 54.64 2qxt s LYS 70 Cb 0.06 0.28 -0.06 0.00 -0.52 0.00 0.00 37.83 37.58 2qxt s LYS 70 CO 0.88 -0.30 -0.10 0.14 -0.92 0.00 0.00 175.35 175.06 2qxt s VAL 71 N -4.01 2.28 0.10 3.17 -7.23 -0.48 -4.22 120.40 110.01 2qxt s VAL 71 Ca 0.20 -2.21 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 2qxt s VAL 71 Cb 0.06 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2qxt s VAL 71 CO 0.00 -0.22 -0.10 -1.81 -0.31 0.00 0.00 175.10 172.67 2qxt s ASP 72 N -3.60 4.42 -0.03 4.85 1.01 -0.47 -1.69 116.67 121.16 2qxt s ASP 72 Ca 0.32 -0.37 0.05 0.00 0.71 0.00 0.00 52.55 53.26 2qxt s ASP 72 Cb 0.02 -0.86 -0.01 0.00 1.01 0.00 0.00 42.92 43.08 2qxt s ASP 72 CO 0.16 0.18 -0.18 -0.63 0.21 0.00 0.00 175.17 174.91 2qxt s ILE 73 N -1.21 1.47 -0.24 0.77 1.01 -0.05 -0.89 121.20 122.06 2qxt s ILE 73 Ca 0.21 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2qxt s ILE 73 Cb -0.11 -1.24 0.05 0.00 0.01 0.00 0.00 42.46 41.17 2qxt s ILE 73 CO 0.14 0.42 -0.11 -0.69 0.00 0.00 0.00 174.94 174.70 2qxt s VAL 74 N -0.23 2.02 0.01 2.92 1.01 -0.99 -0.22 120.40 124.93 2qxt s VAL 74 Ca 0.02 -1.46 0.08 0.00 0.00 0.00 0.00 61.98 60.63 2qxt s VAL 74 Cb -0.09 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2qxt s VAL 74 CO 0.01 0.03 -0.24 0.00 0.00 0.00 0.00 175.10 174.90 2qxt s ALA 75 N 1.19 2.32 -0.11 5.51 0.00 0.61 -0.77 121.76 130.50 2qxt s ALA 75 Ca -0.06 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2qxt s ALA 75 Cb -0.19 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 2qxt s ALA 75 CO -0.06 0.54 -0.13 -1.58 0.00 0.00 0.00 175.76 174.53 2qxt s HIS 76 N -0.75 2.80 0.00 0.00 5.65 -0.29 0.60 115.29 123.30 2qxt s HIS 76 Ca 0.12 -0.51 0.00 0.00 0.25 0.00 0.00 55.06 54.92 2qxt s HIS 76 Cb -0.10 -1.80 0.00 0.00 -1.18 0.00 0.00 32.58 29.50 2qxt s HIS 76 CO 0.01 -0.11 0.00 0.45 -0.65 0.00 0.00 174.74 174.45 2qxt n SER 77 N 3.24 0.00 0.23 9.88 2.88 -0.01 -0.19 113.62 129.64 2qxt n SER 77 Ca -0.18 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.51 2qxt n SER 77 Cb 0.53 0.00 0.82 0.00 -0.75 0.00 0.00 64.21 64.81 2qxt n SER 77 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2qxt h MET 78 N 0.00 0.00 0.00 -1.46 1.85 -1.86 0.15 114.93 113.60 2qxt h MET 78 Ca 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.04 2qxt h MET 78 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 2qxt h MET 78 CO 0.00 0.00 -0.23 0.78 -0.40 0.00 0.00 176.91 177.06 2qxt h GLY 79 N 0.01 0.00 0.96 1.39 0.00 -0.61 -1.98 103.07 102.84 2qxt h GLY 79 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2qxt h GLY 79 CO 0.00 0.00 0.01 -1.33 0.00 0.00 0.00 176.54 175.22 2qxt h GLY 80 N 0.87 0.81 0.98 4.60 0.00 -0.89 -0.41 103.07 109.03 2qxt h GLY 80 Ca -0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 2qxt h GLY 80 CO 0.03 0.54 0.25 0.00 0.00 0.00 0.00 176.54 177.37 2qxt h ALA 81 N 0.91 0.68 -0.77 3.60 0.00 -1.53 -1.10 119.26 121.05 2qxt h ALA 81 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qxt h ALA 81 Cb 0.47 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2qxt h ALA 81 CO 0.02 0.24 0.44 -0.91 0.00 0.00 0.00 179.25 179.04 2qxt h ASN 82 N 0.71 0.93 -0.23 0.00 2.35 -1.18 -0.14 115.58 118.01 2qxt h ASN 82 Ca 0.18 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 2qxt h ASN 82 Cb 0.12 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2qxt h ASN 82 CO -0.02 0.73 -0.11 0.74 -1.65 0.00 0.00 177.43 177.12 2qxt h THR 83 N 1.06 1.30 0.00 2.81 2.02 -0.68 -2.04 112.91 117.38 2qxt h THR 83 Ca 0.27 -1.18 -0.07 0.00 0.77 0.00 0.00 66.41 66.20 2qxt h THR 83 Cb -0.01 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2qxt h THR 83 CO -0.05 0.36 -0.35 -0.07 0.37 0.00 0.00 175.52 175.79 2qxt h LEU 84 N 0.20 0.00 -0.31 2.58 3.38 -0.87 -2.29 115.31 118.00 2qxt h LEU 84 Ca 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2qxt h LEU 84 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2qxt h LEU 84 CO 0.03 0.35 -0.34 0.22 0.09 0.00 0.00 178.44 178.79 2qxt h TYR 85 N 0.00 0.93 -0.66 1.13 3.20 -0.94 -0.50 116.97 120.13 2qxt h TYR 85 Ca -0.00 -0.29 -0.04 0.00 3.14 0.00 0.00 58.73 61.53 2qxt h TYR 85 Cb 0.61 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 2qxt h TYR 85 CO 0.00 1.07 0.25 -0.92 -1.64 0.00 0.00 178.16 176.91 2qxt h TYR 86 N 0.54 1.00 -0.01 -3.82 3.20 -1.07 -0.06 116.97 116.74 2qxt h TYR 86 Ca 0.04 -0.07 -0.25 0.00 3.14 0.00 0.00 58.73 61.59 2qxt h TYR 86 Cb 0.93 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 38.91 2qxt h TYR 86 CO 0.07 0.78 -0.99 0.82 -1.64 0.00 0.00 178.16 177.20 2qxt h ILE 87 N 0.96 1.31 0.08 1.81 2.04 -1.34 -1.01 117.51 121.36 2qxt h ILE 87 Ca 0.22 -2.27 -0.00 0.00 1.00 0.00 0.00 64.86 63.80 2qxt h ILE 87 Cb 0.21 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2qxt h ILE 87 CO -0.02 0.70 -0.04 0.50 0.00 0.00 0.00 178.15 179.29 2qxt h LYS 88 N 0.36 -0.11 0.00 2.37 3.64 -0.94 -3.22 116.57 118.68 2qxt h LYS 88 Ca -0.11 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 2qxt h LYS 88 Cb 1.63 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.47 2qxt h LYS 88 CO 0.19 0.33 -2.03 0.09 -2.27 0.00 0.00 179.45 175.76 2qxt n ASN 89 N -4.81 0.01 0.00 4.20 5.03 -0.05 -4.99 115.26 114.65 2qxt n ASN 89 Ca -0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.39 2qxt n ASN 89 Cb 0.24 1.89 0.00 0.00 -1.02 0.00 0.00 39.78 40.89 2qxt n ASN 89 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2qxt n LEU 90 N -2.31 0.00 -2.06 3.41 4.77 -0.99 -5.02 117.00 114.80 2qxt n LEU 90 Ca -0.07 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.72 2qxt n LEU 90 Cb 0.63 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.91 2qxt n LEU 90 CO 0.46 0.00 1.18 -0.90 -1.33 0.00 0.00 177.39 176.80 2qxt n ASP 91 N 0.00 3.68 0.08 -1.43 5.75 -1.18 -4.58 116.55 118.88 2qxt n ASP 91 Ca 0.00 -3.60 0.12 0.00 -0.01 0.00 0.00 54.79 51.31 2qxt n ASP 91 Cb 0.00 -0.80 0.20 0.00 -1.03 0.00 0.00 41.12 39.48 2qxt n ASP 91 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2qxt h GLY 92 N 1.16 0.00 1.05 6.12 0.00 -1.40 -3.39 103.07 106.61 2qxt h GLY 92 Ca 0.55 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.95 2qxt h GLY 92 CO 0.97 0.00 0.40 -1.33 0.00 0.00 0.00 176.54 176.58 2qxt h GLY 93 N 4.42 0.00 -0.28 4.60 0.00 -1.76 -2.24 103.07 107.81 2qxt h GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qxt h GLY 93 CO 0.00 0.00 -0.14 1.16 0.00 0.00 0.00 176.54 177.56 2qxt n ASN 94 N -3.45 1.63 0.00 0.19 6.94 -1.26 -0.06 115.26 119.25 2qxt n ASN 94 Ca 0.04 -2.69 0.00 0.00 -0.02 0.00 0.00 54.58 51.91 2qxt n ASN 94 Cb 0.53 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 2qxt n ASN 94 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2qxt n LYS 95 N -0.96 -0.60 -5.21 -3.83 5.02 -0.85 -4.93 118.16 106.79 2qxt n LYS 95 Ca 0.10 -0.42 -0.30 0.00 -2.02 0.00 0.00 58.31 55.67 2qxt n LYS 95 Cb 0.63 -0.88 -0.16 0.00 -0.02 0.00 0.00 35.03 34.60 2qxt n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qxt s VAL 96 N -0.04 1.94 -0.02 -0.18 1.01 -1.17 -1.38 120.40 120.56 2qxt s VAL 96 Ca 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 2qxt s VAL 96 Cb 0.00 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 2qxt s VAL 96 CO 0.00 0.55 -0.06 0.00 0.00 0.00 0.00 175.10 175.59 2qxt n ALA 97 N 2.66 1.29 -2.87 5.51 0.00 -0.68 -4.71 120.51 121.70 2qxt n ALA 97 Ca -0.16 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 52.69 2qxt n ALA 97 Cb 0.52 0.03 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 2qxt n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qxt s ASN 98 N -4.78 4.81 -0.07 0.00 0.01 -1.26 -1.58 114.94 112.06 2qxt s ASN 98 Ca -0.05 -0.09 0.04 0.00 -0.71 0.00 0.00 52.86 52.06 2qxt s ASN 98 Cb 0.01 -1.66 -0.00 0.00 0.41 0.00 0.00 41.25 40.00 2qxt s ASN 98 CO 0.07 0.22 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.97 2qxt s VAL 99 N 0.06 1.85 -0.13 1.60 1.01 -0.11 -0.87 120.40 123.81 2qxt s VAL 99 Ca -0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2qxt s VAL 99 Cb -0.13 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.68 2qxt s VAL 99 CO 0.03 0.52 -0.06 -0.69 0.00 0.00 0.00 175.10 174.89 2qxt s VAL 100 N 0.18 1.00 0.03 2.92 1.01 0.69 -1.46 120.40 124.77 2qxt s VAL 100 Ca -0.11 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2qxt s VAL 100 Cb -0.15 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2qxt s VAL 100 CO 0.06 0.25 -0.03 0.42 0.00 0.00 0.00 175.10 175.80 2qxt s THR 101 N 1.70 3.87 -0.23 3.92 -4.23 -0.62 -0.29 115.64 119.76 2qxt s THR 101 Ca 0.03 -0.80 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 2qxt s THR 101 Cb -0.14 -2.74 0.04 0.00 1.34 0.00 0.00 72.50 71.00 2qxt s THR 101 CO -0.08 0.31 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.44 2qxt s LEU 102 N -1.71 3.00 -1.40 4.79 1.43 0.20 -0.97 118.68 124.02 2qxt s LEU 102 Ca 0.20 -1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 52.18 2qxt s LEU 102 Cb -0.11 -1.58 0.09 0.00 0.03 0.00 0.00 46.19 44.62 2qxt s LEU 102 CO 0.11 -0.12 0.61 0.61 0.23 0.00 0.00 176.35 177.80 2qxt n GLY 103 N 4.57 -0.48 3.76 -3.19 0.00 0.54 -0.83 105.19 109.57 2qxt n GLY 103 Ca -0.17 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2qxt n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qxt s GLY 104 N -2.90 2.90 -0.41 -0.02 0.00 -1.26 -3.28 107.32 102.34 2qxt s GLY 104 Ca 0.50 1.24 -0.03 0.00 0.00 0.00 0.00 44.72 46.43 2qxt s GLY 104 CO 0.62 1.94 2.61 0.00 0.00 0.00 0.00 173.10 178.27 2qxt n ALA 105 N 1.10 6.15 -0.31 3.20 0.00 -0.51 -2.95 120.51 127.20 2qxt n ALA 105 Ca 0.01 -2.70 0.10 0.00 0.00 0.00 0.00 53.44 50.85 2qxt n ALA 105 Cb 0.42 -1.97 0.27 0.00 0.00 0.00 0.00 19.45 18.17 2qxt n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2qxt h ASN 106 N 2.63 0.50 0.12 0.00 -0.26 -1.66 -2.30 115.58 114.61 2qxt h ASN 106 Ca 0.37 0.12 0.00 0.00 -0.56 0.00 0.00 56.30 56.22 2qxt h ASN 106 Cb 0.79 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 2qxt h ASN 106 CO 0.84 0.15 0.00 0.54 -1.06 0.00 0.00 177.43 177.90 2qxt n ARG 107 N -4.92 0.40 0.00 0.81 1.74 -0.34 -1.70 116.66 112.66 2qxt n ARG 107 Ca 0.20 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.46 2qxt n ARG 107 Cb 0.54 -1.50 0.62 0.00 -1.02 0.00 0.00 32.46 31.11 2qxt n ARG 107 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qxt n LEU 108 N -1.12 0.00 0.00 0.55 4.77 -0.87 -3.79 117.00 116.55 2qxt n LEU 108 Ca 0.10 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2qxt n LEU 108 Cb 0.08 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2qxt n LEU 108 CO 0.10 -0.05 -0.42 0.41 -1.33 0.00 0.00 177.39 176.10 2qxt n THR 109 N -1.27 0.00 -3.52 -5.08 -1.04 -0.69 -5.08 114.28 97.60 2qxt n THR 109 Ca 0.12 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.04 2qxt n THR 109 Cb 0.19 -1.28 -0.03 0.00 -1.82 0.00 0.00 70.33 67.39 2qxt n THR 109 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qxt s THR 110 N -1.99 0.00 -0.94 12.58 -1.32 -0.79 -5.00 115.64 118.18 2qxt s THR 110 Ca 0.00 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.63 2qxt s THR 110 Cb 0.00 -1.00 0.50 0.00 -1.51 0.00 0.00 72.50 70.49 2qxt s THR 110 CO 0.00 0.00 1.42 0.61 -2.21 0.00 0.00 174.62 174.44 2qxt n GLY 111 N -0.03 3.00 3.46 6.08 0.00 -1.26 -3.18 105.19 113.25 2qxt n GLY 111 Ca -0.10 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 2qxt n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qxt s LYS 112 N -1.60 2.69 -1.03 1.61 2.20 -1.26 -0.23 119.74 122.12 2qxt s LYS 112 Ca 0.37 -0.69 -0.23 0.00 -0.36 0.00 0.00 55.97 55.06 2qxt s LYS 112 Cb 0.24 -2.43 0.04 0.00 -1.51 0.00 0.00 37.83 34.16 2qxt s LYS 112 CO 0.19 0.54 1.55 0.00 -0.36 0.00 0.00 175.35 177.26 2qxt s ALA 113 N -0.50 2.61 -0.06 3.13 0.00 -0.54 -4.81 121.76 121.58 2qxt s ALA 113 Ca 0.07 -2.21 -0.34 0.00 0.00 0.00 0.00 51.96 49.48 2qxt s ALA 113 Cb -0.12 -4.55 -0.11 0.00 0.00 0.00 0.00 23.12 18.34 2qxt s ALA 113 CO 0.02 -3.78 1.89 1.28 0.00 0.00 0.00 175.76 175.16 2qxt n LEU 114 N 9.62 3.54 0.26 0.00 4.77 -1.26 -4.80 117.00 129.13 2qxt n LEU 114 Ca 0.36 0.97 0.11 0.00 -0.03 0.00 0.00 56.01 57.41 2qxt n LEU 114 Cb 0.50 -1.39 0.68 0.00 -2.33 0.00 0.00 43.42 40.88 2qxt n LEU 114 CO 0.66 -0.02 0.97 1.55 -1.33 0.00 0.00 177.39 179.22 2qxt h PRO 115 N 9.29 0.00 0.00 3.23 0.13 -1.92 -3.41 132.00 139.32 2qxt h PRO 115 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2qxt h PRO 115 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2qxt h PRO 115 CO 0.95 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 2qxt n GLY 116 N -0.83 -1.82 0.31 1.56 0.00 -1.26 -0.72 105.19 102.42 2qxt n GLY 116 Ca -0.02 -1.82 0.08 0.00 0.00 0.00 0.00 46.02 44.26 2qxt n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qxt n THR 117 N 0.00 1.78 -3.56 2.61 -2.24 0.91 -4.94 114.28 108.84 2qxt n THR 117 Ca 0.00 -2.34 -0.41 0.00 -2.27 0.00 0.00 64.05 59.03 2qxt n THR 117 Cb 0.00 -0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 67.99 2qxt n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qxt s ASP 118 N -2.82 5.75 0.00 3.42 2.15 -1.26 -4.86 116.67 119.06 2qxt s ASP 118 Ca 0.31 -1.36 0.02 0.00 0.43 0.00 0.00 52.55 51.95 2qxt s ASP 118 Cb 0.29 -2.03 0.09 0.00 -0.30 0.00 0.00 42.92 40.97 2qxt s ASP 118 CO -0.01 -0.53 0.88 -0.81 -0.17 0.00 0.00 175.17 174.54 2qxt n PRO 119 N 4.99 0.02 -0.00 4.34 -0.04 -1.26 -1.79 135.00 141.26 2qxt n PRO 119 Ca -0.11 0.29 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 2qxt n PRO 119 Cb 0.44 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.27 2qxt n PRO 119 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2qxt n ASN 120 N -1.31 0.92 -3.41 3.54 4.13 -1.26 -4.92 115.26 112.96 2qxt n ASN 120 Ca 0.01 -0.93 0.02 0.00 1.68 0.00 0.00 54.58 55.36 2qxt n ASN 120 Cb 0.01 1.07 -0.03 0.00 -1.54 0.00 0.00 39.78 39.29 2qxt n ASN 120 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2qxt s GLN 121 N -3.01 0.47 0.37 3.52 0.74 -0.74 -5.15 119.66 115.85 2qxt s GLN 121 Ca 0.07 1.05 -0.25 0.00 0.05 0.00 0.00 55.36 56.29 2qxt s GLN 121 Cb 0.16 0.62 -0.10 0.00 1.10 0.00 0.00 33.01 34.79 2qxt s GLN 121 CO 0.86 -0.28 0.98 0.15 -0.55 0.00 0.00 175.29 176.45 2qxt s LYS 122 N 2.78 4.38 0.17 1.67 1.02 -1.26 -4.45 119.74 124.05 2qxt s LYS 122 Ca 0.02 1.36 -0.31 0.00 0.02 0.00 0.00 55.97 57.05 2qxt s LYS 122 Cb -0.11 -2.61 -0.10 0.00 -0.52 0.00 0.00 37.83 34.49 2qxt s LYS 122 CO -0.18 0.09 1.54 0.42 -0.92 0.00 0.00 175.35 176.30 2qxt s ILE 123 N -1.73 2.68 -0.11 2.17 1.01 0.10 -4.98 121.20 120.34 2qxt s ILE 123 Ca 0.55 0.49 -0.07 0.00 0.00 0.00 0.00 60.65 61.62 2qxt s ILE 123 Cb -0.18 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2qxt s ILE 123 CO 0.23 0.04 0.16 -0.76 0.00 0.00 0.00 174.94 174.61 2qxt s LEU 124 N 1.02 4.39 0.05 2.97 1.43 -0.61 -4.64 118.68 123.30 2qxt s LEU 124 Ca 0.69 0.50 0.08 0.00 -1.03 0.00 0.00 54.13 54.36 2qxt s LEU 124 Cb -0.43 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 2qxt s LEU 124 CO 0.32 0.40 -0.22 -0.31 0.23 0.00 0.00 176.35 176.77 2qxt s TYR 125 N -1.04 1.94 -0.22 0.29 1.51 -0.40 -0.93 117.35 118.49 2qxt s TYR 125 Ca 0.16 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 2qxt s TYR 125 Cb -0.12 -1.15 0.07 0.00 -0.11 0.00 0.00 41.96 40.65 2qxt s TYR 125 CO 0.05 0.11 0.06 0.99 -1.11 0.00 0.00 175.55 175.65 2qxt s THR 126 N -0.82 0.51 -0.39 -0.71 2.01 -0.53 -1.41 115.64 114.30 2qxt s THR 126 Ca 0.08 -0.71 -0.12 0.00 0.31 0.00 0.00 61.69 61.25 2qxt s THR 126 Cb -0.09 -1.12 0.03 0.00 0.01 0.00 0.00 72.50 71.32 2qxt s THR 126 CO 0.02 -0.35 0.23 -0.55 -0.69 0.00 0.00 174.62 173.28 2qxt s SER 127 N 1.85 5.82 -0.20 3.53 0.15 -0.01 -1.59 113.70 123.25 2qxt s SER 127 Ca 0.02 -1.00 -0.11 0.00 0.70 0.00 0.00 55.95 55.56 2qxt s SER 127 Cb -0.17 -2.05 -0.05 0.00 -1.71 0.00 0.00 66.02 62.04 2qxt s SER 127 CO -0.14 -0.41 0.18 -0.63 1.20 0.00 0.00 173.24 173.44 2qxt s ILE 128 N 1.58 5.37 0.01 6.45 1.01 -0.14 -0.72 121.20 134.75 2qxt s ILE 128 Ca 0.03 0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.84 2qxt s ILE 128 Cb -0.19 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.77 2qxt s ILE 128 CO 0.07 0.41 0.26 -0.72 0.00 0.00 0.00 174.94 174.96 2qxt s TYR 129 N 0.52 -0.09 -0.11 3.97 -0.85 -0.79 -0.34 117.35 119.66 2qxt s TYR 129 Ca 0.10 0.05 -0.02 0.00 -0.52 0.00 0.00 57.07 56.68 2qxt s TYR 129 Cb -0.12 0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.25 2qxt s TYR 129 CO 0.01 -0.41 -0.05 0.45 -1.52 0.00 0.00 175.55 174.03 2qxt s SER 130 N -1.64 4.79 0.46 -0.18 0.15 -1.26 -0.38 113.70 115.65 2qxt s SER 130 Ca -0.10 -0.05 0.31 0.00 0.70 0.00 0.00 55.95 56.81 2qxt s SER 130 Cb -0.04 -1.50 1.60 0.00 -1.71 0.00 0.00 66.02 64.38 2qxt s SER 130 CO 0.01 0.28 1.95 0.77 1.20 0.00 0.00 173.24 177.45 2qxt h SER 131 N 5.89 0.00 -0.43 5.45 4.64 -1.51 -0.72 113.55 126.87 2qxt h SER 131 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2qxt h SER 131 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2qxt h SER 131 CO 0.57 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.53 2qxt n ALA 132 N -1.92 2.43 -2.41 5.18 0.00 -1.26 -4.89 120.51 117.63 2qxt n ALA 132 Ca -0.01 -0.95 -0.43 0.00 0.00 0.00 0.00 53.44 52.05 2qxt n ALA 132 Cb 0.11 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 2qxt n ALA 132 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qxt s ASP 133 N -1.35 6.89 0.00 0.00 -1.08 -0.28 -4.67 116.67 116.18 2qxt s ASP 133 Ca 0.39 1.62 0.22 0.00 -0.52 0.00 0.00 52.55 54.26 2qxt s ASP 133 Cb 0.22 -2.54 0.19 0.00 -1.46 0.00 0.00 42.92 39.33 2qxt s ASP 133 CO 0.30 -0.82 1.21 0.23 0.52 0.00 0.00 175.17 176.61 2qxt n MET 134 N 6.75 2.10 -0.12 4.34 2.81 -1.26 -4.43 117.12 127.31 2qxt n MET 134 Ca 0.14 -1.85 -0.21 0.00 -1.81 0.00 0.00 57.70 53.97 2qxt n MET 134 Cb 0.45 -1.43 -0.12 0.00 -0.71 0.00 0.00 33.22 31.41 2qxt n MET 134 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2qxt n ILE 135 N 1.26 1.53 -4.06 2.02 5.41 -1.26 -4.86 119.36 119.40 2qxt n ILE 135 Ca 0.13 -0.53 -0.32 0.00 1.00 0.00 0.00 62.75 63.03 2qxt n ILE 135 Cb 0.56 -1.55 -0.15 0.00 -0.71 0.00 0.00 39.64 37.79 2qxt n ILE 135 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2qxt s VAL 136 N -2.52 2.06 0.54 1.39 1.01 -1.26 -5.10 120.40 116.51 2qxt s VAL 136 Ca -0.34 -1.47 -0.22 0.00 0.00 0.00 0.00 61.98 59.94 2qxt s VAL 136 Cb 0.10 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 2qxt s VAL 136 CO 0.60 0.04 1.37 0.23 0.00 0.00 0.00 175.10 177.35 2qxt n MET 137 N 4.49 1.78 0.25 2.72 2.81 -1.26 -4.81 117.12 123.10 2qxt n MET 137 Ca -0.15 0.65 0.07 0.00 -1.81 0.00 0.00 57.70 56.47 2qxt n MET 137 Cb 0.43 -2.59 0.61 0.00 -0.71 0.00 0.00 33.22 30.97 2qxt n MET 137 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2qxt h ASN 138 N 1.55 0.01 0.33 7.83 2.35 -1.88 -2.23 115.58 123.54 2qxt h ASN 138 Ca -0.51 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.22 2qxt h ASN 138 Cb 1.30 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.66 2qxt h ASN 138 CO 0.58 0.04 -0.08 0.10 -1.65 0.00 0.00 177.43 176.42 2qxt h TYR 139 N 0.02 0.00 0.00 1.19 -0.00 -1.94 -0.92 116.97 115.31 2qxt h TYR 139 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.68 2qxt h TYR 139 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.77 2qxt h TYR 139 CO 0.00 0.08 -0.27 -0.07 -0.00 0.00 0.00 178.16 177.89 2qxt h LEU 140 N 0.00 0.00 0.17 0.10 3.38 -1.71 -3.34 115.31 113.91 2qxt h LEU 140 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2qxt h LEU 140 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2qxt h LEU 140 CO 0.01 0.27 -1.74 0.28 0.09 0.00 0.00 178.44 177.35 2qxt h SER 141 N 0.00 0.56 -2.86 -0.43 0.02 -1.07 -0.74 113.55 109.03 2qxt h SER 141 Ca -0.00 -0.86 -0.52 0.00 -0.84 0.00 0.00 61.79 59.56 2qxt h SER 141 Cb 1.16 -0.18 0.05 0.00 0.14 0.00 0.00 62.40 63.56 2qxt h SER 141 CO 0.04 1.73 0.90 -0.13 -1.14 0.00 0.00 176.83 178.22 2qxt s ARG 142 N -2.58 4.20 -0.06 3.45 0.52 -0.89 -4.78 118.95 118.80 2qxt s ARG 142 Ca -0.15 2.41 0.05 0.00 -0.52 0.00 0.00 55.73 57.52 2qxt s ARG 142 Cb 0.06 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.38 2qxt s ARG 142 CO 0.85 -0.62 -0.21 -0.51 0.02 0.00 0.00 175.30 174.82 2qxt s LEU 143 N 0.96 2.29 -0.13 2.53 1.43 -1.26 -4.88 118.68 119.62 2qxt s LEU 143 Ca 0.70 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 2qxt s LEU 143 Cb -0.45 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 2qxt s LEU 143 CO 0.33 0.27 1.81 -1.81 0.23 0.00 0.00 176.35 177.18 2qxt s ASP 144 N -0.29 6.28 0.00 2.29 -0.00 0.68 -2.14 116.67 123.50 2qxt s ASP 144 Ca 0.01 2.03 0.00 0.00 -0.00 0.00 0.00 52.55 54.59 2qxt s ASP 144 Cb -0.13 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.26 2qxt s ASP 144 CO 0.03 -1.27 0.00 0.61 -0.00 0.00 0.00 175.17 174.53 2qxt n GLY 145 N 4.73 0.49 3.96 0.21 0.00 -1.26 -1.47 105.19 111.85 2qxt n GLY 145 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 2qxt n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxt s ALA 146 N -2.12 3.54 -0.62 4.61 0.00 -0.91 -0.76 121.76 125.50 2qxt s ALA 146 Ca 0.00 -1.19 -0.23 0.00 0.00 0.00 0.00 51.96 50.54 2qxt s ALA 146 Cb 0.00 -2.30 0.06 0.00 0.00 0.00 0.00 23.12 20.88 2qxt s ALA 146 CO 0.00 -1.06 0.94 0.50 0.00 0.00 0.00 175.76 176.14 2qxt s ARG 147 N -5.01 3.18 -0.35 0.00 3.52 -0.62 -4.89 118.95 114.78 2qxt s ARG 147 Ca 0.59 -0.65 -0.17 0.00 -0.13 0.00 0.00 55.73 55.37 2qxt s ARG 147 Cb -0.10 -4.16 -0.01 0.00 -1.56 0.00 0.00 34.95 29.12 2qxt s ARG 147 CO 0.42 -1.68 0.48 -0.80 -0.81 0.00 0.00 175.30 172.91 2qxt s ASN 148 N 3.35 6.29 -0.25 -2.12 0.01 -1.26 -0.83 114.94 120.13 2qxt s ASN 148 Ca 0.24 -0.06 -0.01 0.00 -0.71 0.00 0.00 52.86 52.32 2qxt s ASN 148 Cb -0.15 -2.25 0.03 0.00 0.41 0.00 0.00 41.25 39.29 2qxt s ASN 148 CO 0.13 -0.45 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.51 2qxt s VAL 149 N 2.31 2.73 -0.15 1.60 1.01 0.10 -4.97 120.40 123.02 2qxt s VAL 149 Ca 0.17 -1.15 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 2qxt s VAL 149 Cb -0.16 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2qxt s VAL 149 CO 0.13 0.15 0.35 -1.58 0.00 0.00 0.00 175.10 174.15 2qxt s GLN 150 N 1.28 4.28 0.44 2.72 0.74 -1.26 -1.88 119.66 125.99 2qxt s GLN 150 Ca -0.01 0.20 0.06 0.00 0.05 0.00 0.00 55.36 55.66 2qxt s GLN 150 Cb -0.17 -3.43 -0.05 0.00 1.10 0.00 0.00 33.01 30.46 2qxt s GLN 150 CO -0.05 0.21 0.11 0.96 -0.55 0.00 0.00 175.29 175.97 2qxt s ILE 151 N 0.53 1.93 0.23 -2.34 -4.36 0.49 -4.97 121.20 112.71 2qxt s ILE 151 Ca 0.19 -1.84 0.06 0.00 -0.26 0.00 0.00 60.65 58.80 2qxt s ILE 151 Cb -0.14 -2.77 -0.05 0.00 1.25 0.00 0.00 42.46 40.76 2qxt s ILE 151 CO 0.06 0.00 -0.07 -1.00 0.24 0.00 0.00 174.94 174.17 2qxt s HIS 152 N -2.71 1.70 0.00 1.37 3.76 -1.26 -1.32 115.29 116.83 2qxt s HIS 152 Ca 0.32 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 2qxt s HIS 152 Cb 0.05 -0.93 0.00 0.00 1.11 0.00 0.00 32.58 32.81 2qxt s HIS 152 CO 0.17 0.18 0.00 0.41 -0.85 0.00 0.00 174.74 174.66 2qxt n GLY 153 N -0.44 1.80 3.76 -2.22 0.00 -1.26 -4.95 105.19 101.87 2qxt n GLY 153 Ca -0.06 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2qxt n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qxt s VAL 154 N -0.12 3.59 0.75 1.61 1.01 -1.26 -4.93 120.40 121.05 2qxt s VAL 154 Ca 0.00 1.59 -0.04 0.00 0.00 0.00 0.00 61.98 63.54 2qxt s VAL 154 Cb 0.00 -4.01 0.13 0.00 0.00 0.00 0.00 36.38 32.49 2qxt s VAL 154 CO 0.00 0.38 1.04 -0.83 0.00 0.00 0.00 175.10 175.68 2qxt s GLY 155 N -0.89 1.76 0.22 4.51 0.00 -1.26 -3.90 107.32 107.76 2qxt s GLY 155 Ca 0.44 -1.53 -0.08 0.00 0.00 0.00 0.00 44.72 43.55 2qxt s GLY 155 CO 0.39 -0.96 1.85 0.84 0.00 0.00 0.00 173.10 175.22 2qxt h HIS 156 N -0.69 0.88 0.03 1.90 2.76 -1.93 -2.39 115.15 115.70 2qxt h HIS 156 Ca -0.39 0.02 -0.26 0.00 -2.20 0.00 0.00 60.37 57.55 2qxt h HIS 156 Cb 1.27 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.92 2qxt h HIS 156 CO -0.27 0.48 -1.33 0.82 -1.30 0.00 0.00 177.93 176.33 2qxt h ILE 157 N 0.90 1.34 0.00 6.26 1.08 -2.00 -3.28 117.51 121.80 2qxt h ILE 157 Ca 0.32 -3.07 0.00 0.00 -0.39 0.00 0.00 64.86 61.72 2qxt h ILE 157 Cb 0.08 2.72 0.00 0.00 -3.07 0.00 0.00 36.82 36.54 2qxt h ILE 157 CO -0.14 0.80 0.00 1.23 -0.69 0.00 0.00 178.15 179.36 2qxt h GLY 158 N 2.76 0.00 2.00 5.37 0.00 -1.82 -1.78 103.07 109.60 2qxt h GLY 158 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2qxt h GLY 158 CO 0.13 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 178.07 2qxt h LEU 159 N 0.00 0.00 -0.26 3.11 3.38 -1.51 -0.89 115.31 119.15 2qxt h LEU 159 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qxt h LEU 159 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qxt h LEU 159 CO 0.00 0.01 -0.36 0.18 0.09 0.00 0.00 178.44 178.36 2qxt n LEU 160 N -3.32 0.76 -2.56 1.67 4.77 -0.67 -4.20 117.00 113.44 2qxt n LEU 160 Ca -0.03 -0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 55.74 2qxt n LEU 160 Cb 0.09 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 2qxt n LEU 160 CO 0.23 0.16 0.05 -1.22 -1.33 0.00 0.00 177.39 175.27 2qxt n TYR 161 N -1.05 1.79 -5.25 -1.77 4.01 -0.35 -4.34 117.16 110.20 2qxt n TYR 161 Ca 0.09 -2.24 -0.32 0.00 -0.16 0.00 0.00 57.90 55.27 2qxt n TYR 161 Cb 0.34 -0.27 -0.17 0.00 -0.31 0.00 0.00 39.34 38.93 2qxt n TYR 161 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2qxt s SER 162 N -3.69 3.06 0.19 7.72 0.15 -1.15 -5.02 113.70 114.97 2qxt s SER 162 Ca 0.35 -0.52 -0.06 0.00 0.70 0.00 0.00 55.95 56.41 2qxt s SER 162 Cb 0.36 -1.01 0.11 0.00 -1.71 0.00 0.00 66.02 63.77 2qxt s SER 162 CO -0.02 0.22 1.57 0.28 1.20 0.00 0.00 173.24 176.50 2qxt h SER 163 N 6.27 0.84 -0.42 5.45 0.02 -1.96 -1.42 113.55 122.34 2qxt h SER 163 Ca -0.28 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.30 2qxt h SER 163 Cb 1.20 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2qxt h SER 163 CO 0.47 1.08 0.15 -0.61 -1.14 0.00 0.00 176.83 176.77 2qxt h GLN 164 N 0.69 0.64 -0.10 3.45 4.15 -2.00 -2.12 115.11 119.82 2qxt h GLN 164 Ca 0.08 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2qxt h GLN 164 Cb 0.83 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.42 2qxt h GLN 164 CO 0.07 0.62 0.06 0.28 -1.93 0.00 0.00 178.83 177.93 2qxt h VAL 165 N 0.53 1.04 -0.70 2.39 2.07 -1.87 -2.84 116.25 116.87 2qxt h VAL 165 Ca 0.14 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.69 2qxt h VAL 165 Cb 0.23 0.92 -0.09 0.00 -1.52 0.00 0.00 31.29 30.84 2qxt h VAL 165 CO -0.01 0.04 0.26 0.78 0.02 0.00 0.00 177.57 178.66 2qxt h ASN 166 N 0.12 0.23 -0.82 0.57 2.35 -1.04 -0.19 115.58 116.80 2qxt h ASN 166 Ca 0.04 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2qxt h ASN 166 Cb 0.00 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 2qxt h ASN 166 CO -0.01 0.10 0.45 0.28 -1.65 0.00 0.00 177.43 176.60 2qxt h SER 167 N 0.42 1.03 -0.48 5.81 0.02 -1.20 -1.25 113.55 117.89 2qxt h SER 167 Ca 0.38 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 2qxt h SER 167 Cb 0.55 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2qxt h SER 167 CO -0.38 0.82 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.92 2qxt h LEU 168 N 1.15 0.98 -0.75 5.07 3.38 -0.93 -2.20 115.31 122.02 2qxt h LEU 168 Ca 0.29 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qxt h LEU 168 Cb 0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2qxt h LEU 168 CO -0.05 1.11 0.46 0.40 0.09 0.00 0.00 178.44 180.46 2qxt h ILE 169 N 0.86 1.21 -0.27 1.22 2.04 -0.58 -1.09 117.51 120.91 2qxt h ILE 169 Ca 0.13 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.55 2qxt h ILE 169 Cb 0.70 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2qxt h ILE 169 CO 0.05 0.21 0.16 0.50 0.00 0.00 0.00 178.15 179.08 2qxt h LYS 170 N 1.02 0.33 -0.44 2.37 3.64 -0.92 0.38 116.57 122.95 2qxt h LYS 170 Ca 0.27 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2qxt h LYS 170 Cb -0.05 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2qxt h LYS 170 CO -0.05 0.22 0.27 0.93 -2.27 0.00 0.00 179.45 178.55 2qxt h GLU 171 N 0.34 0.59 0.02 1.90 5.08 -1.08 -1.74 114.58 119.70 2qxt h GLU 171 Ca 0.10 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2qxt h GLU 171 Cb -0.02 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2qxt h GLU 171 CO -0.04 0.43 -0.01 0.78 -1.00 0.00 0.00 179.01 179.17 2qxt h GLY 172 N 0.58 -0.03 2.00 -3.84 0.00 -0.86 0.15 103.07 101.07 2qxt h GLY 172 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2qxt h GLY 172 CO -0.03 -0.01 0.00 1.41 0.00 0.00 0.00 176.54 177.91 2qxt h LEU 173 N -0.04 0.00 -2.23 3.11 3.38 -0.80 -1.39 115.31 117.34 2qxt h LEU 173 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qxt h LEU 173 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2qxt h LEU 173 CO 0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 2qxt n ASN 174 N -3.03 3.35 0.00 -0.43 3.02 -0.67 -4.87 115.26 112.63 2qxt n ASN 174 Ca -0.02 -2.36 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 2qxt n ASN 174 Cb 0.16 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 2qxt n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qxt n GLY 175 N 0.69 0.63 1.16 7.41 0.00 -0.53 -4.96 105.19 109.58 2qxt n GLY 175 Ca 0.16 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.52 2qxt n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxt n GLY 176 N -2.42 1.88 0.00 -0.02 0.00 0.47 -4.93 105.19 100.17 2qxt n GLY 176 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2qxt n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxt n GLY 177 N 0.85 -1.07 3.37 -0.02 0.00 -1.26 -4.70 105.19 102.36 2qxt n GLY 177 Ca 0.17 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 2qxt n GLY 177 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qxt s GLN 178 N -1.38 0.89 -0.30 1.61 0.74 -0.50 -4.76 119.66 115.96 2qxt s GLN 178 Ca 0.00 -0.07 0.06 0.00 0.05 0.00 0.00 55.36 55.40 2qxt s GLN 178 Cb 0.00 0.41 0.20 0.00 1.10 0.00 0.00 33.01 34.71 2qxt s GLN 178 CO 0.00 -0.28 0.58 1.21 -0.55 0.00 0.00 175.29 176.25 2qxt s ASN 179 N -1.47 -1.49 -0.01 6.67 3.84 -1.10 -1.27 114.94 120.10 2qxt s ASN 179 Ca -0.10 0.09 0.11 0.00 0.21 0.00 0.00 52.86 53.17 2qxt s ASN 179 Cb -0.02 1.97 0.33 0.00 -0.55 0.00 0.00 41.25 42.98 2qxt s ASN 179 CO 0.04 -0.30 1.26 0.35 -2.79 0.00 0.00 177.10 175.66 2qxt n THR 180 N 5.36 0.59 1.43 -5.21 -2.24 0.06 -5.01 114.28 109.25 2qxt n THR 180 Ca 0.05 -0.51 0.14 0.00 -2.27 0.00 0.00 64.05 61.45 2qxt n THR 180 Cb 0.54 0.18 0.47 0.00 -2.10 0.00 0.00 70.33 69.42 2qxt n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09