#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qzj s THR 5 N 0.00 2.03 -0.13 1.69 -4.23 -1.26 -4.90 115.64 108.84 2qzj s THR 5 Ca 0.00 0.02 -0.00 0.00 -1.18 0.00 0.00 61.69 60.53 2qzj s THR 5 Cb 0.00 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.98 2qzj s THR 5 CO 0.00 -0.01 -0.10 -0.75 -0.54 0.00 0.00 174.62 173.22 2qzj s LYS 6 N -3.53 1.83 -0.13 3.99 2.20 -1.26 -2.95 119.74 119.88 2qzj s LYS 6 Ca 0.81 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 2qzj s LYS 6 Cb -0.36 -1.79 -0.01 0.00 -1.51 0.00 0.00 37.83 34.17 2qzj s LYS 6 CO 0.42 -0.25 -0.15 0.42 -0.36 0.00 0.00 175.35 175.43 2qzj s ILE 7 N 1.60 2.80 -0.19 5.43 1.01 -0.86 -0.57 121.20 130.43 2qzj s ILE 7 Ca 0.05 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 59.86 2qzj s ILE 7 Cb -0.13 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 2qzj s ILE 7 CO -0.09 0.53 0.13 -0.22 0.00 0.00 0.00 174.94 175.29 2qzj s LEU 8 N 0.44 4.21 -0.27 2.97 2.96 -0.89 -2.15 118.68 125.95 2qzj s LEU 8 Ca -0.11 0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 2qzj s LEU 8 Cb -0.16 -2.08 0.03 0.00 0.50 0.00 0.00 46.19 44.47 2qzj s LEU 8 CO 0.05 0.20 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.65 2qzj s ILE 9 N 0.22 3.23 -0.42 6.68 1.01 -0.39 -0.70 121.20 130.83 2qzj s ILE 9 Ca 0.08 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 2qzj s ILE 9 Cb -0.11 -2.69 0.07 0.00 0.01 0.00 0.00 42.46 39.73 2qzj s ILE 9 CO -0.01 0.10 0.28 -0.63 0.00 0.00 0.00 174.94 174.68 2qzj s ILE 10 N 1.36 4.56 -0.29 2.92 1.01 0.22 -1.24 121.20 129.74 2qzj s ILE 10 Ca -0.00 -1.19 -0.15 0.00 0.00 0.00 0.00 60.65 59.30 2qzj s ILE 10 Cb -0.17 -3.72 0.15 0.00 0.01 0.00 0.00 42.46 38.73 2qzj s ILE 10 CO -0.02 -0.46 0.97 -0.62 0.00 0.00 0.00 174.94 174.81 2qzj s ASP 11 N 2.10 -0.56 0.00 3.58 2.15 -0.72 -1.93 116.67 121.29 2qzj s ASP 11 Ca 0.03 0.83 0.18 0.00 0.43 0.00 0.00 52.55 54.02 2qzj s ASP 11 Cb -0.22 1.47 1.01 0.00 -0.30 0.00 0.00 42.92 44.87 2qzj s ASP 11 CO 0.04 -0.12 1.51 0.61 -0.17 0.00 0.00 175.17 177.04 2qzj n GLY 12 N 4.39 -0.70 3.49 2.66 0.00 -1.26 -4.47 105.19 109.30 2qzj n GLY 12 Ca -0.14 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 2qzj n GLY 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qzj s ASP 13 N -2.24 6.56 0.43 1.61 -1.08 -1.26 -4.87 116.67 115.81 2qzj s ASP 13 Ca 0.23 -1.78 0.25 0.00 -0.52 0.00 0.00 52.55 50.73 2qzj s ASP 13 Cb 0.12 -2.46 1.26 0.00 -1.46 0.00 0.00 42.92 40.39 2qzj s ASP 13 CO 0.24 -1.24 1.72 0.11 0.52 0.00 0.00 175.17 176.52 2qzj h LYS 14 N 9.20 0.24 0.15 4.34 1.57 -2.00 -2.07 116.57 128.00 2qzj h LYS 14 Ca 0.14 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2qzj h LYS 14 Cb 1.02 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2qzj h LYS 14 CO 1.22 0.16 -0.07 0.22 -0.57 0.00 0.00 179.45 180.40 2qzj h ASP 15 N 0.24 -0.17 -0.87 0.86 1.82 -1.95 -2.42 116.42 113.92 2qzj h ASP 15 Ca 0.67 -0.34 0.12 0.00 -0.39 0.00 0.00 57.03 57.09 2qzj h ASP 15 Cb 1.98 0.05 -0.07 0.00 0.68 0.00 0.00 39.33 41.96 2qzj h ASP 15 CO -0.31 0.29 0.56 -1.13 -1.61 0.00 0.00 179.24 177.04 2qzj h ASN 16 N -0.69 0.72 -0.04 2.28 -1.24 -1.80 0.15 115.58 114.96 2qzj h ASN 16 Ca -0.02 0.03 -0.07 0.00 0.71 0.00 0.00 56.30 56.94 2qzj h ASN 16 Cb 0.50 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 2qzj h ASN 16 CO 0.03 0.40 -0.18 0.00 -1.29 0.00 0.00 177.43 176.39 2qzj h GLN 18 N 0.37 -1.09 -0.04 0.00 5.75 -0.20 0.27 115.11 120.17 2qzj h GLN 18 Ca 0.06 0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.67 2qzj h GLN 18 Cb 0.54 0.25 -0.04 0.00 1.07 0.00 0.00 27.48 29.29 2qzj h GLN 18 CO 0.04 -0.73 -0.20 0.87 -2.65 0.00 0.00 178.83 176.16 2qzj h LYS 19 N -1.30 -0.29 -0.13 1.69 1.57 -1.32 -1.63 116.57 115.16 2qzj h LYS 19 Ca -0.12 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2qzj h LYS 19 Cb 0.87 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2qzj h LYS 19 CO 0.19 -0.19 0.03 -0.07 -0.57 0.00 0.00 179.45 178.84 2qzj h LEU 20 N -0.30 0.03 0.18 2.94 3.38 -1.08 -1.47 115.31 118.98 2qzj h LEU 20 Ca 0.07 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2qzj h LEU 20 Cb 0.40 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2qzj h LEU 20 CO -0.22 0.04 -0.39 0.50 0.09 0.00 0.00 178.44 178.46 2qzj h LYS 21 N 0.09 -0.64 0.09 1.13 3.64 -0.25 -2.48 116.57 118.16 2qzj h LYS 21 Ca 0.06 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2qzj h LYS 21 Cb 0.04 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2qzj h LYS 21 CO -0.07 -0.42 -0.19 0.78 -2.27 0.00 0.00 179.45 177.28 2qzj h GLY 22 N -0.66 -0.34 -0.06 5.01 0.00 -1.21 0.11 103.07 105.92 2qzj h GLY 22 Ca 0.01 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.58 2qzj h GLY 22 CO -0.19 -0.18 -0.41 -2.75 0.00 0.00 0.00 176.54 173.01 2qzj h PHE 23 N -0.36 -1.22 0.00 5.60 3.57 -1.21 0.85 116.94 124.17 2qzj h PHE 23 Ca 0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2qzj h PHE 23 Cb 0.38 0.54 0.00 0.00 2.79 0.00 0.00 35.95 39.67 2qzj h PHE 23 CO -0.19 -0.43 0.00 -0.07 -2.23 0.00 0.00 178.31 175.39 2qzj h LEU 24 N -0.47 0.00 0.01 0.59 3.38 -1.44 -0.26 115.31 117.13 2qzj h LEU 24 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qzj h LEU 24 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2qzj h LEU 24 CO -0.31 0.00 -0.01 -0.08 0.09 0.00 0.00 178.44 178.13 2qzj h GLU 25 N 0.00 -0.02 0.00 1.13 4.81 0.62 -0.19 114.58 120.93 2qzj h GLU 25 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qzj h GLU 25 Cb 0.33 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2qzj h GLU 25 CO 0.00 0.77 -0.02 1.49 -0.73 0.00 0.00 179.01 180.52 2qzj h GLU 26 N -0.89 0.00 -0.16 1.92 4.22 0.11 0.35 114.58 120.13 2qzj h GLU 26 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2qzj h GLU 26 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2qzj h GLU 26 CO 0.00 0.02 0.00 1.63 -2.18 0.00 0.00 179.01 178.48 2qzj n LYS 27 N -3.44 1.44 -0.72 1.92 4.01 -0.14 -4.91 118.16 116.32 2qzj n LYS 27 Ca -0.03 -0.68 0.00 0.00 -0.51 0.00 0.00 58.31 57.09 2qzj n LYS 27 Cb 0.11 -1.24 0.00 0.00 -0.51 0.00 0.00 35.03 33.39 2qzj n LYS 27 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qzj n GLY 28 N 0.89 0.70 3.74 0.72 0.00 0.12 -5.02 105.19 106.34 2qzj n GLY 28 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2qzj n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qzj s ILE 29 N -2.39 4.66 0.12 -0.61 1.01 -0.09 -4.81 121.20 119.09 2qzj s ILE 29 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 60.65 60.28 2qzj s ILE 29 Cb 0.00 -3.00 -0.07 0.00 0.01 0.00 0.00 42.46 39.40 2qzj s ILE 29 CO 0.00 0.58 0.68 -0.94 0.00 0.00 0.00 174.94 175.26 2qzj s SER 30 N -1.01 7.22 -0.09 3.58 1.04 -1.15 -3.73 113.70 119.56 2qzj s SER 30 Ca 0.15 1.46 0.03 0.00 0.48 0.00 0.00 55.95 58.06 2qzj s SER 30 Cb -0.12 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 63.58 2qzj s SER 30 CO 0.04 0.23 -0.18 -0.63 0.98 0.00 0.00 173.24 173.68 2qzj s ILE 31 N -1.15 1.65 0.12 -1.02 1.01 -1.26 -2.02 121.20 118.53 2qzj s ILE 31 Ca 0.33 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.24 2qzj s ILE 31 Cb -0.21 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 2qzj s ILE 31 CO 0.23 0.47 0.18 -1.81 0.00 0.00 0.00 174.94 174.01 2qzj s ASP 32 N 0.61 5.96 0.04 3.58 1.01 -0.91 -5.01 116.67 121.94 2qzj s ASP 32 Ca -0.14 0.08 0.08 0.00 0.71 0.00 0.00 52.55 53.27 2qzj s ASP 32 Cb -0.16 -1.71 -0.03 0.00 1.01 0.00 0.00 42.92 42.03 2qzj s ASP 32 CO 0.04 0.11 -0.22 -0.76 0.21 0.00 0.00 175.17 174.55 2qzj s LEU 33 N -2.85 2.16 -0.00 1.23 1.02 -1.26 -1.26 118.68 117.72 2qzj s LEU 33 Ca 0.33 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.94 2qzj s LEU 33 Cb -0.11 -1.05 0.01 0.00 0.02 0.00 0.00 46.19 45.05 2qzj s LEU 33 CO 0.26 0.19 0.00 0.00 0.02 0.00 0.00 176.35 176.82 2qzj s ALA 34 N -0.79 0.04 -0.64 4.21 0.00 -0.37 -4.94 121.76 119.27 2qzj s ALA 34 Ca 0.08 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.15 2qzj s ALA 34 Cb -0.09 -0.05 0.12 0.00 0.00 0.00 0.00 23.12 23.09 2qzj s ALA 34 CO 0.02 -0.01 0.94 0.66 0.00 0.00 0.00 175.76 177.36 2qzj n TYR 35 N 3.27 0.14 -3.55 0.00 4.02 -1.26 -1.76 117.16 118.03 2qzj n TYR 35 Ca -0.15 -0.27 -0.08 0.00 -0.01 0.00 0.00 57.90 57.39 2qzj n TYR 35 Cb 0.58 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.86 2qzj n TYR 35 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2qzj s ASN 36 N -0.78 -0.35 0.22 7.72 4.22 -1.26 -4.09 114.94 120.61 2qzj s ASN 36 Ca 0.10 -0.09 -0.08 0.00 -2.14 0.00 0.00 52.86 50.65 2qzj s ASN 36 Cb 0.06 0.44 0.30 0.00 1.28 0.00 0.00 41.25 43.33 2qzj s ASN 36 CO 0.08 -0.74 1.79 0.00 -2.04 0.00 0.00 177.10 176.19 2qzj h GLU 38 N 0.62 0.03 0.11 0.00 5.08 -1.97 0.59 114.58 119.03 2qzj h GLU 38 Ca 0.33 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.69 2qzj h GLU 38 Cb 0.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2qzj h GLU 38 CO -0.24 0.02 -0.12 1.49 -1.00 0.00 0.00 179.01 179.16 2qzj h GLU 39 N 0.03 -0.24 -0.36 2.33 4.81 -1.78 -1.91 114.58 117.46 2qzj h GLU 39 Ca 0.10 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2qzj h GLU 39 Cb 0.14 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2qzj h GLU 39 CO -0.19 -0.16 0.17 0.00 -0.73 0.00 0.00 179.01 178.09 2qzj h ALA 40 N 0.62 0.43 -0.83 2.92 0.00 -0.40 -2.44 119.26 119.57 2qzj h ALA 40 Ca 0.01 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2qzj h ALA 40 Cb 0.25 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 2qzj h ALA 40 CO -0.04 -0.21 0.48 0.82 0.00 0.00 0.00 179.25 180.30 2qzj h ILE 41 N 0.35 0.95 0.00 0.00 2.04 0.32 -1.17 117.51 120.00 2qzj h ILE 41 Ca 0.15 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2qzj h ILE 41 Cb 0.08 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 2qzj h ILE 41 CO -0.12 0.15 -0.00 1.23 0.00 0.00 0.00 178.15 179.42 2qzj h GLY 42 N 0.83 -0.00 1.91 5.37 0.00 -0.90 -2.81 103.07 107.48 2qzj h GLY 42 Ca 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 2qzj h GLY 42 CO -0.22 -0.00 -0.11 0.50 0.00 0.00 0.00 176.54 176.71 2qzj h LYS 43 N -0.05 0.11 -0.51 4.80 1.57 -1.01 -1.95 116.57 119.53 2qzj h LYS 43 Ca -0.00 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2qzj h LYS 43 Cb 0.05 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2qzj h LYS 43 CO 0.00 0.23 0.12 0.82 -0.57 0.00 0.00 179.45 180.05 2qzj h ILE 44 N 0.11 1.22 0.00 1.86 1.08 -0.98 -0.32 117.51 120.48 2qzj h ILE 44 Ca 0.02 -0.78 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 2qzj h ILE 44 Cb 0.27 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 2qzj h ILE 44 CO 0.02 0.29 -0.65 -0.26 -0.69 0.00 0.00 178.15 176.85 2qzj h PHE 45 N 0.75 0.00 -0.01 1.37 0.05 -1.26 -3.34 116.94 114.50 2qzj h PHE 45 Ca 0.17 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.96 2qzj h PHE 45 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.23 2qzj h PHE 45 CO 0.02 0.00 -0.50 0.43 -0.18 0.00 0.00 178.31 178.07 2qzj n SER 46 N -2.77 1.40 -3.76 2.17 7.64 -0.77 -4.97 113.62 112.55 2qzj n SER 46 Ca 0.02 -1.11 -0.11 0.00 1.01 0.00 0.00 58.87 58.67 2qzj n SER 46 Cb 0.54 0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 64.11 2qzj n SER 46 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2qzj s ASN 47 N -2.63 -0.10 -0.32 6.43 0.01 -0.17 -5.05 114.94 113.12 2qzj s ASN 47 Ca 0.18 -0.27 -0.06 0.00 -0.71 0.00 0.00 52.86 52.00 2qzj s ASN 47 Cb 0.18 0.36 0.03 0.00 0.41 0.00 0.00 41.25 42.24 2qzj s ASN 47 CO 0.62 -0.65 0.08 -0.54 -1.51 0.00 0.00 177.10 175.10 2qzj s LYS 48 N -2.82 2.69 0.26 -0.60 1.02 -1.26 -4.65 119.74 114.38 2qzj s LYS 48 Ca -0.03 -1.12 0.04 0.00 0.02 0.00 0.00 55.97 54.88 2qzj s LYS 48 Cb 0.00 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 2qzj s LYS 48 CO -0.05 -0.61 0.39 0.71 -0.92 0.00 0.00 175.35 174.88 2qzj s TYR 49 N 1.40 3.46 -0.08 3.18 1.51 -1.26 -4.83 117.35 120.73 2qzj s TYR 49 Ca -0.01 0.05 0.12 0.00 -1.01 0.00 0.00 57.07 56.22 2qzj s TYR 49 Cb -0.19 -1.63 -0.23 0.00 -0.11 0.00 0.00 41.96 39.79 2qzj s TYR 49 CO 0.02 0.38 0.54 -0.25 -1.11 0.00 0.00 175.55 175.13 2qzj n ASP 50 N -1.46 0.83 -3.62 2.29 8.00 0.26 -4.78 116.55 118.07 2qzj n ASP 50 Ca -0.08 0.33 -0.15 0.00 0.71 0.00 0.00 54.79 55.60 2qzj n ASP 50 Cb 0.57 0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.64 2qzj n ASP 50 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qzj s LEU 51 N -6.06 -0.44 -0.11 0.64 0.20 -1.24 -3.88 118.68 107.79 2qzj s LEU 51 Ca -0.07 1.06 0.01 0.00 0.69 0.00 0.00 54.13 55.82 2qzj s LEU 51 Cb 0.08 2.25 0.02 0.00 -0.43 0.00 0.00 46.19 48.11 2qzj s LEU 51 CO 0.82 -0.35 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.79 2qzj s ILE 52 N -0.20 1.26 -0.17 6.68 1.01 0.82 -2.10 121.20 128.51 2qzj s ILE 52 Ca -0.04 -0.47 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 2qzj s ILE 52 Cb -0.03 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 2qzj s ILE 52 CO 0.04 0.40 0.47 -0.36 0.00 0.00 0.00 174.94 175.49 2qzj s PHE 53 N 1.36 3.42 -0.05 3.97 0.40 0.12 -0.13 117.98 127.07 2qzj s PHE 53 Ca -0.00 0.77 0.03 0.00 -0.60 0.00 0.00 56.93 57.13 2qzj s PHE 53 Cb -0.14 -2.59 0.00 0.00 0.51 0.00 0.00 43.02 40.81 2qzj s PHE 53 CO -0.06 0.02 -0.13 -1.17 0.70 0.00 0.00 175.22 174.58 2qzj s LEU 54 N 1.18 1.78 0.42 -0.37 2.96 0.82 -0.61 118.68 124.85 2qzj s LEU 54 Ca 0.23 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 2qzj s LEU 54 Cb -0.15 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.72 2qzj s LEU 54 CO 0.09 0.08 0.62 -0.70 -1.32 0.00 0.00 176.35 175.13 2qzj s GLU 55 N 0.32 3.14 -0.19 1.98 2.56 -0.82 -3.93 118.70 121.77 2qzj s GLU 55 Ca -0.08 -0.53 -0.11 0.00 0.00 0.00 0.00 54.97 54.25 2qzj s GLU 55 Cb -0.12 -2.61 -0.21 0.00 2.00 0.00 0.00 34.13 33.19 2qzj s GLU 55 CO 0.02 -0.15 0.13 -0.89 -0.56 0.00 0.00 175.26 173.81 2qzj n ILE 56 N -1.97 1.63 -2.45 -3.70 5.41 -1.26 -3.73 119.36 113.29 2qzj n ILE 56 Ca 0.00 -0.42 -0.42 0.00 1.00 0.00 0.00 62.75 62.91 2qzj n ILE 56 Cb 0.57 -1.79 -0.02 0.00 -0.71 0.00 0.00 39.64 37.69 2qzj n ILE 56 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2qzj s ILE 57 N -2.49 3.90 0.28 1.39 -1.09 -1.26 0.29 121.20 122.22 2qzj s ILE 57 Ca -0.29 0.82 0.09 0.00 -2.23 0.00 0.00 60.65 59.04 2qzj s ILE 57 Cb 0.08 -4.50 -0.05 0.00 -1.58 0.00 0.00 42.46 36.41 2qzj s ILE 57 CO 0.65 -1.14 -0.12 -0.76 -1.23 0.00 0.00 174.94 172.34 2qzj s LEU 58 N 5.53 2.58 0.31 2.97 1.43 -1.22 -4.59 118.68 125.69 2qzj s LEU 58 Ca 0.51 -1.12 0.18 0.00 -1.03 0.00 0.00 54.13 52.68 2qzj s LEU 58 Cb -0.10 -0.85 0.14 0.00 0.03 0.00 0.00 46.19 45.41 2qzj s LEU 58 CO 0.27 -0.18 1.42 0.77 0.23 0.00 0.00 176.35 178.86 2qzj h SER 59 N 2.28 0.00 0.00 2.29 4.64 -1.95 -3.36 113.55 117.45 2qzj h SER 59 Ca -0.40 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.88 2qzj h SER 59 Cb 1.24 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.26 2qzj h SER 59 CO 0.65 0.30 -0.57 -0.90 -0.87 0.00 0.00 176.83 175.44 2qzj n ASP 60 N -3.11 1.58 0.00 4.97 5.75 -1.26 -5.08 116.55 119.40 2qzj n ASP 60 Ca 0.02 -3.44 0.00 0.00 -0.01 0.00 0.00 54.79 51.35 2qzj n ASP 60 Cb 0.66 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 2qzj n ASP 60 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qzj n GLY 61 N -0.80 -0.45 2.99 6.12 0.00 -1.26 -4.76 105.19 107.03 2qzj n GLY 61 Ca 0.16 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 2qzj n GLY 61 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2qzj s ASP 62 N -4.00 0.18 0.34 1.61 -4.77 -1.26 -3.45 116.67 105.32 2qzj s ASP 62 Ca 0.00 -0.39 0.09 0.00 -3.30 0.00 0.00 52.55 48.95 2qzj s ASP 62 Cb 0.00 0.11 0.83 0.00 -1.09 0.00 0.00 42.92 42.77 2qzj s ASP 62 CO 0.00 -0.28 1.83 1.23 0.70 0.00 0.00 175.17 178.65 2qzj h GLY 63 N 4.75 1.40 0.96 2.12 0.00 -0.25 -0.20 103.07 111.85 2qzj h GLY 63 Ca -0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 2qzj h GLY 63 CO 0.42 0.02 0.16 1.49 0.00 0.00 0.00 176.54 178.63 2qzj h TRP 64 N 0.68 0.40 -0.02 5.60 6.55 -1.86 0.46 115.95 127.77 2qzj h TRP 64 Ca 0.51 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 60.34 2qzj h TRP 64 Cb 0.88 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 29.05 2qzj h TRP 64 CO -0.00 0.33 -0.00 1.15 -1.05 0.00 0.00 178.44 178.87 2qzj h THR 65 N 0.36 1.29 -0.69 1.49 2.02 -1.75 -3.04 112.91 112.58 2qzj h THR 65 Ca 0.10 -0.86 0.09 0.00 0.77 0.00 0.00 66.41 66.51 2qzj h THR 65 Cb 0.06 1.83 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 2qzj h THR 65 CO -0.02 0.23 0.46 0.25 0.37 0.00 0.00 175.52 176.81 2qzj h LEU 66 N -0.32 0.54 0.83 2.58 5.85 -1.00 -2.41 115.31 121.38 2qzj h LEU 66 Ca 0.00 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2qzj h LEU 66 Cb 0.37 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2qzj h LEU 66 CO 0.00 0.33 -0.48 0.00 -0.34 0.00 0.00 178.44 177.95 2qzj h LYS 68 N -1.21 0.31 0.50 0.00 1.57 -1.40 0.92 116.57 117.26 2qzj h LYS 68 Ca -0.11 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2qzj h LYS 68 Cb 0.96 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 2qzj h LYS 68 CO 0.14 0.21 -0.30 -0.22 -0.57 0.00 0.00 179.45 178.71 2qzj h LYS 69 N 0.32 -0.72 -0.69 3.15 3.64 -0.93 -0.35 116.57 120.99 2qzj h LYS 69 Ca 0.50 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.94 2qzj h LYS 69 Cb 0.92 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 2qzj h LYS 69 CO -0.54 -0.48 0.45 0.82 -2.27 0.00 0.00 179.45 177.43 2qzj h ILE 70 N -0.75 1.18 -0.56 2.00 2.04 0.14 -2.91 117.51 118.65 2qzj h ILE 70 Ca -0.06 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 2qzj h ILE 70 Cb 0.61 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2qzj h ILE 70 CO 0.06 0.18 0.25 -0.09 0.00 0.00 0.00 178.15 178.55 2qzj h ARG 71 N 0.94 0.79 0.00 2.37 9.65 0.10 -0.35 114.38 127.88 2qzj h ARG 71 Ca 0.25 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 2qzj h ARG 71 Cb -0.10 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.33 2qzj h ARG 71 CO -0.05 0.63 0.00 -1.71 2.80 0.00 0.00 179.97 181.64 2qzj n ASN 72 N -4.35 0.00 0.00 -3.80 2.85 -0.16 -3.44 115.26 106.36 2qzj n ASN 72 Ca 0.05 -1.02 0.00 0.00 -0.11 0.00 0.00 54.58 53.50 2qzj n ASN 72 Cb 0.14 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.16 2qzj n ASN 72 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2qzj n VAL 73 N -0.79 0.00 -4.15 3.44 0.31 -0.29 -5.09 118.33 111.75 2qzj n VAL 73 Ca 0.10 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.29 2qzj n VAL 73 Cb 0.05 -0.55 -0.11 0.00 -0.91 0.00 0.00 33.84 32.32 2qzj n VAL 73 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2qzj s THR 74 N -1.99 0.84 -1.10 2.52 -1.32 -0.35 -5.01 115.64 109.23 2qzj s THR 74 Ca 0.00 -1.57 0.25 0.00 -1.21 0.00 0.00 61.69 59.16 2qzj s THR 74 Cb 0.00 -1.26 0.02 0.00 -1.51 0.00 0.00 72.50 69.75 2qzj s THR 74 CO 0.00 -0.56 1.39 0.35 -2.21 0.00 0.00 174.62 173.59 2qzj n THR 75 N 0.66 0.00 -1.49 5.08 -2.24 -1.26 -4.45 114.28 110.58 2qzj n THR 75 Ca -0.17 -0.02 -0.45 0.00 -2.27 0.00 0.00 64.05 61.14 2qzj n THR 75 Cb 0.57 0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 2qzj n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qzj s PRO 77 N -1.33 4.18 -0.16 0.00 0.02 -1.25 -4.88 135.00 131.58 2qzj s PRO 77 Ca 0.61 2.46 0.01 0.00 0.02 0.00 0.00 61.00 64.11 2qzj s PRO 77 Cb -0.78 -3.08 0.01 0.00 0.02 0.00 0.00 34.50 30.67 2qzj s PRO 77 CO 0.58 -0.58 -0.20 0.42 -0.33 0.00 0.00 177.00 176.89 2qzj s ILE 78 N 0.36 2.15 -0.17 2.83 1.01 -1.26 -0.12 121.20 125.99 2qzj s ILE 78 Ca 0.65 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2qzj s ILE 78 Cb -0.45 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.15 2qzj s ILE 78 CO 0.41 0.54 -0.19 -0.69 0.00 0.00 0.00 174.94 175.01 2qzj s VAL 79 N 1.04 1.97 0.00 2.92 1.01 0.81 0.20 120.40 128.36 2qzj s VAL 79 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2qzj s VAL 79 Cb -0.14 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.44 2qzj s VAL 79 CO -0.07 0.53 0.00 -1.22 0.00 0.00 0.00 175.10 174.34 2qzj n TYR 80 N 4.65 -3.58 0.00 5.22 4.02 -0.09 -0.13 117.16 127.25 2qzj n TYR 80 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 2qzj n TYR 80 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 2qzj n TYR 80 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 2qzj n THR 82 N -2.13 0.00 0.30 -0.72 5.66 -0.23 0.13 114.28 117.29 2qzj n THR 82 Ca 0.00 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.12 2qzj n THR 82 Cb 0.00 0.00 0.15 0.00 -1.55 0.00 0.00 70.33 68.93 2qzj n THR 82 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 175.07 173.90 2qzj h TYR 83 N 0.00 0.00 -2.33 1.09 -1.99 -1.86 0.18 116.97 112.06 2qzj h TYR 83 Ca 0.00 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.19 2qzj h TYR 83 Cb 0.00 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.75 2qzj h TYR 83 CO 0.00 0.00 1.23 -0.89 -0.00 0.00 0.00 178.16 178.50 2qzj n ILE 84 N -2.68 0.76 -0.00 -2.88 5.41 -1.26 -4.83 119.36 113.89 2qzj n ILE 84 Ca 0.03 -0.14 0.03 0.00 1.00 0.00 0.00 62.75 63.66 2qzj n ILE 84 Cb 0.51 -2.30 0.06 0.00 -0.71 0.00 0.00 39.64 37.19 2qzj n ILE 84 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2qzj n ASN 85 N 7.54 2.16 -4.76 4.38 4.05 -1.26 -4.89 115.26 122.49 2qzj n ASN 85 Ca 0.20 -1.79 -0.41 0.00 0.45 0.00 0.00 54.58 53.03 2qzj n ASN 85 Cb 0.40 -0.08 -0.02 0.00 1.23 0.00 0.00 39.78 41.31 2qzj n ASN 85 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2qzj s GLU 86 N -0.85 4.28 0.21 1.20 0.41 -1.26 -4.93 118.70 117.76 2qzj s GLU 86 Ca 0.09 2.30 -0.10 0.00 -0.41 0.00 0.00 54.97 56.85 2qzj s GLU 86 Cb 0.05 -3.08 0.17 0.00 -1.78 0.00 0.00 34.13 29.49 2qzj s GLU 86 CO 0.07 -0.34 1.86 -0.44 -0.49 0.00 0.00 175.26 175.92 2qzj h ASP 87 N 4.19 0.79 -0.81 -0.19 3.32 -2.00 -2.42 116.42 119.30 2qzj h ASP 87 Ca -0.48 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 56.63 2qzj h ASP 87 Cb 1.22 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.54 2qzj h ASP 87 CO 0.72 0.56 0.53 -0.61 -1.72 0.00 0.00 179.24 178.72 2qzj h GLN 88 N 0.93 0.84 -0.02 3.56 5.75 -2.00 -1.40 115.11 122.78 2qzj h GLN 88 Ca 0.28 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.73 2qzj h GLN 88 Cb -0.05 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.31 2qzj h GLN 88 CO -0.08 0.56 0.01 1.03 -2.65 0.00 0.00 178.83 177.69 2qzj h SER 89 N 0.87 0.02 -0.95 -0.69 0.87 -1.83 -1.66 113.55 110.18 2qzj h SER 89 Ca 0.36 -0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.87 2qzj h SER 89 Cb 0.27 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.16 2qzj h SER 89 CO -0.13 0.14 0.62 0.40 -0.53 0.00 0.00 176.83 177.32 2qzj h ILE 90 N -0.09 1.07 0.44 2.23 2.04 -1.19 0.12 117.51 122.12 2qzj h ILE 90 Ca 0.01 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2qzj h ILE 90 Cb 0.12 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 2qzj h ILE 90 CO -0.00 0.20 -0.21 -0.07 0.00 0.00 0.00 178.15 178.07 2qzj h LEU 91 N 1.08 -0.50 -0.43 1.44 3.38 -1.04 -0.03 115.31 119.21 2qzj h LEU 91 Ca 0.41 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.43 2qzj h LEU 91 Cb 0.21 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 2qzj h LEU 91 CO -0.16 -0.28 -0.01 0.78 0.09 0.00 0.00 178.44 178.86 2qzj h ASN 92 N -0.69 -0.21 -0.09 -0.43 4.21 -0.83 0.22 115.58 117.76 2qzj h ASN 92 Ca -0.06 0.10 0.03 0.00 1.21 0.00 0.00 56.30 57.59 2qzj h ASN 92 Cb 0.51 0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 37.86 2qzj h ASN 92 CO 0.10 -0.07 -0.13 0.00 -1.29 0.00 0.00 177.43 176.04 2qzj h ALA 93 N 1.39 -0.08 -0.46 -0.83 0.00 -0.63 0.13 119.26 118.78 2qzj h ALA 93 Ca 0.21 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2qzj h ALA 93 Cb 0.31 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2qzj h ALA 93 CO -0.37 -0.60 -0.02 -0.07 0.00 0.00 0.00 179.25 178.20 2qzj h LEU 94 N -0.18 0.81 -1.36 0.00 3.38 -0.61 -2.02 115.31 115.34 2qzj h LEU 94 Ca 0.08 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2qzj h LEU 94 Cb 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qzj h LEU 94 CO -0.20 0.93 -0.28 0.78 0.09 0.00 0.00 178.44 179.75 2qzj h ASN 95 N 0.66 0.00 0.90 -0.43 2.35 -0.33 -2.07 115.58 116.66 2qzj h ASN 95 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2qzj h ASN 95 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2qzj h ASN 95 CO 0.03 0.28 0.00 0.28 -1.65 0.00 0.00 177.43 176.37 2qzj h SER 96 N 0.00 0.00 0.00 5.81 0.02 -0.60 -3.45 113.55 115.33 2qzj h SER 96 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qzj h SER 96 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2qzj h SER 96 CO 0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 2qzj n GLY 97 N 0.06 0.81 3.84 -3.77 0.00 -0.78 -3.81 105.19 101.55 2qzj n GLY 97 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2qzj n GLY 97 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qzj s GLY 98 N -1.13 1.65 -0.18 -0.02 0.00 -0.77 -4.70 107.32 102.16 2qzj s GLY 98 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 44.72 44.58 2qzj s GLY 98 CO 0.00 0.23 -0.19 1.22 0.00 0.00 0.00 173.10 174.36 2qzj n ASP 99 N -3.10 2.22 -4.18 1.64 8.00 0.13 -4.60 116.55 116.66 2qzj n ASP 99 Ca 0.07 0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.47 2qzj n ASP 99 Cb 0.55 -0.37 -0.10 0.00 -0.02 0.00 0.00 41.12 41.18 2qzj n ASP 99 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qzj s ASP 100 N -6.04 0.77 -0.10 -2.24 -1.08 -1.19 -5.04 116.67 101.75 2qzj s ASP 100 Ca -0.25 -1.15 -0.03 0.00 -0.52 0.00 0.00 52.55 50.61 2qzj s ASP 100 Cb 0.07 0.19 0.04 0.00 -1.46 0.00 0.00 42.92 41.77 2qzj s ASP 100 CO 0.39 -0.63 0.04 -0.47 0.52 0.00 0.00 175.17 175.03 2qzj s TYR 101 N -3.84 0.40 -0.14 -5.34 5.04 -1.26 -0.91 117.35 111.29 2qzj s TYR 101 Ca 0.21 -0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 54.67 2qzj s TYR 101 Cb 0.07 -0.69 -0.03 0.00 0.35 0.00 0.00 41.96 41.65 2qzj s TYR 101 CO 0.01 -0.35 -0.02 -0.51 -1.34 0.00 0.00 175.55 173.34 2qzj s LEU 102 N 2.06 3.39 -0.25 6.97 1.43 0.35 -4.93 118.68 127.71 2qzj s LEU 102 Ca 0.04 -0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 2qzj s LEU 102 Cb -0.14 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 2qzj s LEU 102 CO -0.06 0.21 0.56 -0.63 0.23 0.00 0.00 176.35 176.66 2qzj s ILE 103 N 0.11 5.04 0.46 -0.59 1.09 -1.26 -1.07 121.20 124.99 2qzj s ILE 103 Ca 0.00 0.99 -0.02 0.00 -1.10 0.00 0.00 60.65 60.52 2qzj s ILE 103 Cb -0.13 -3.87 -0.02 0.00 -1.06 0.00 0.00 42.46 37.38 2qzj s ILE 103 CO 0.02 0.08 0.72 -1.59 -0.10 0.00 0.00 174.94 174.07 2qzj s LYS 104 N 2.28 3.28 -0.13 2.79 -2.85 0.05 -4.33 119.74 120.84 2qzj s LYS 104 Ca 0.23 -0.15 -0.39 0.00 -1.00 0.00 0.00 55.97 54.66 2qzj s LYS 104 Cb -0.16 -2.47 -0.16 0.00 -2.06 0.00 0.00 37.83 32.98 2qzj s LYS 104 CO 0.09 -0.23 1.56 -2.30 0.10 0.00 0.00 175.35 174.57 2qzj n PRO 105 N -2.16 1.08 -2.25 1.78 -0.02 -1.26 -4.45 135.00 127.72 2qzj n PRO 105 Ca 0.00 0.39 -0.36 0.00 -2.02 0.00 0.00 63.50 61.52 2qzj n PRO 105 Cb 0.56 -2.05 -0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2qzj n PRO 105 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qzj s LEU 106 N 2.20 3.85 -0.65 2.45 1.43 -1.26 -4.99 118.68 121.71 2qzj s LEU 106 Ca 0.93 2.24 -0.10 0.00 -1.03 0.00 0.00 54.13 56.16 2qzj s LEU 106 Cb -1.04 -4.45 0.17 0.00 0.03 0.00 0.00 46.19 40.90 2qzj s LEU 106 CO 0.58 -1.11 0.55 0.21 0.23 0.00 0.00 176.35 176.81 2qzj s ASN 107 N -1.60 6.05 0.41 2.29 3.84 -1.26 -4.95 114.94 119.72 2qzj s ASN 107 Ca 0.69 -2.42 0.23 0.00 0.21 0.00 0.00 52.86 51.57 2qzj s ASN 107 Cb -0.26 -2.07 1.26 0.00 -0.55 0.00 0.00 41.25 39.62 2qzj s ASN 107 CO 0.30 -0.59 1.68 -0.07 -2.79 0.00 0.00 177.10 175.64 2qzj h LEU 108 N 7.90 0.36 -0.29 3.21 3.38 -1.98 0.14 115.31 128.03 2qzj h LEU 108 Ca -0.05 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2qzj h LEU 108 Cb 1.03 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2qzj h LEU 108 CO 0.81 -0.08 -0.09 -0.33 0.09 0.00 0.00 178.44 178.84 2qzj h GLU 109 N 0.23 0.56 -0.13 1.13 4.39 -1.99 -0.46 114.58 118.32 2qzj h GLU 109 Ca 0.72 -0.23 -0.17 0.00 0.34 0.00 0.00 59.36 60.02 2qzj h GLU 109 Cb 2.03 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.65 2qzj h GLU 109 CO -0.40 0.78 -0.64 0.82 -1.16 0.00 0.00 179.01 178.41 2qzj h ILE 110 N 0.32 1.35 -0.13 3.13 2.04 -1.41 -1.97 117.51 120.85 2qzj h ILE 110 Ca 0.07 -1.95 -0.01 0.00 1.00 0.00 0.00 64.86 63.97 2qzj h ILE 110 Cb 0.58 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 2qzj h ILE 110 CO 0.03 0.60 0.05 0.25 0.00 0.00 0.00 178.15 179.08 2qzj h LEU 111 N 0.35 0.17 -1.68 1.44 6.46 -0.79 -0.01 115.31 121.25 2qzj h LEU 111 Ca -0.01 -0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.56 2qzj h LEU 111 Cb 1.19 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 2qzj h LEU 111 CO 0.11 0.29 -0.13 0.22 -0.62 0.00 0.00 178.44 178.31 2qzj h TYR 112 N 0.05 0.04 0.00 1.25 3.20 -1.04 0.80 116.97 121.26 2qzj h TYR 112 Ca 0.04 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2qzj h TYR 112 Cb 0.17 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2qzj h TYR 112 CO -0.02 0.17 -0.00 0.00 -1.64 0.00 0.00 178.16 176.67 2qzj h ALA 113 N 1.84 -0.00 -0.70 1.82 0.00 -0.66 0.92 119.26 122.48 2qzj h ALA 113 Ca 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2qzj h ALA 113 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2qzj h ALA 113 CO 0.02 -0.35 0.47 0.87 0.00 0.00 0.00 179.25 180.25 2qzj h LYS 114 N -0.30 0.93 -0.33 0.00 1.79 -0.41 0.12 116.57 118.37 2qzj h LYS 114 Ca -0.00 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2qzj h LYS 114 Cb 0.30 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2qzj h LYS 114 CO 0.00 0.61 0.18 0.28 -1.08 0.00 0.00 179.45 179.44 2qzj h VAL 115 N 0.96 1.14 -0.81 0.50 2.07 -0.49 0.68 116.25 120.31 2qzj h VAL 115 Ca 0.26 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2qzj h VAL 115 Cb -0.11 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2qzj h VAL 115 CO -0.06 0.15 0.41 0.11 0.02 0.00 0.00 177.57 178.20 2qzj h LYS 116 N 0.41 1.14 -0.68 1.57 1.57 0.08 -1.38 116.57 119.29 2qzj h LYS 116 Ca 0.12 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 2qzj h LYS 116 Cb 0.08 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 2qzj h LYS 116 CO -0.02 0.87 0.12 0.00 -0.57 0.00 0.00 179.45 179.85 2qzj h ALA 117 N 1.22 0.90 -0.21 3.86 0.00 -0.33 1.00 119.26 125.69 2qzj h ALA 117 Ca 0.28 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2qzj h ALA 117 Cb 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2qzj h ALA 117 CO -0.04 0.66 -0.31 0.82 0.00 0.00 0.00 179.25 180.39 2qzj h ILE 118 N 1.05 1.33 -0.15 0.00 2.04 -0.58 -2.75 117.51 118.45 2qzj h ILE 118 Ca 0.21 -1.52 -0.10 0.00 1.00 0.00 0.00 64.86 64.46 2qzj h ILE 118 Cb 0.43 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2qzj h ILE 118 CO 0.01 0.47 -0.28 -0.07 0.00 0.00 0.00 178.15 178.27 2qzj h LEU 119 N 0.25 0.51 -0.71 1.44 3.38 -1.24 -3.10 115.31 115.84 2qzj h LEU 119 Ca 0.02 -0.55 0.15 0.00 0.09 0.00 0.00 57.88 57.59 2qzj h LEU 119 Cb 0.89 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 2qzj h LEU 119 CO 0.07 0.96 -0.04 -0.09 0.09 0.00 0.00 178.44 179.43 2qzj h ARG 120 N 0.07 0.08 -1.41 1.13 2.43 -0.86 0.21 114.38 116.03 2qzj h ARG 120 Ca 0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qzj h ARG 120 Cb 0.87 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2qzj h ARG 120 CO 0.06 0.05 0.00 -2.13 -1.51 0.00 0.00 179.97 176.44 2qzj n ARG 121 N -5.36 0.63 -0.18 0.20 0.63 -1.04 -3.36 116.66 108.18 2qzj n ARG 121 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2qzj n ARG 121 Cb 0.42 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 32.14 2qzj n ARG 121 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2qzj n ASN 123 N 0.74 0.00 0.00 6.15 3.02 0.06 -5.11 115.26 120.12 2qzj n ASN 123 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2qzj n ASN 123 Cb 0.31 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 2qzj n ASN 123 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40