#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qa9 n ASN 5 N 0.00 3.22 -4.55 1.09 5.15 -1.26 -4.83 115.26 114.08 1qa9 n ASN 5 Ca 0.00 -2.03 -0.32 0.00 -0.60 0.00 0.00 54.58 51.63 1qa9 n ASN 5 Cb 0.00 -0.82 -0.04 0.00 -0.53 0.00 0.00 39.78 38.39 1qa9 n ASN 5 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qa9 s ALA 6 N 1.49 1.80 -1.05 5.20 0.00 -1.26 -4.57 121.76 123.37 1qa9 s ALA 6 Ca 0.29 -0.94 -0.27 0.00 0.00 0.00 0.00 51.96 51.04 1qa9 s ALA 6 Cb 0.14 -4.43 -0.24 0.00 0.00 0.00 0.00 23.12 18.59 1qa9 s ALA 6 CO 0.00 -4.48 2.09 -0.11 0.00 0.00 0.00 175.76 173.26 1qa9 n LEU 7 N 14.01 1.27 -4.68 0.00 7.94 -0.71 -4.63 117.00 130.20 1qa9 n LEU 7 Ca 0.32 -2.45 -0.62 0.00 -1.11 0.00 0.00 56.01 52.14 1qa9 n LEU 7 Cb 0.50 -1.70 -0.09 0.00 0.53 0.00 0.00 43.42 42.66 1qa9 n LEU 7 CO 0.65 -3.64 1.06 -0.62 -1.11 0.00 0.00 177.39 173.72 1qa9 n GLU 8 N 8.08 0.36 -4.78 1.96 1.02 -1.26 -3.47 120.64 122.56 1qa9 n GLU 8 Ca 0.41 0.13 -0.31 0.00 -0.02 0.00 0.00 57.16 57.37 1qa9 n GLU 8 Cb 0.47 -1.69 -0.14 0.00 -0.02 0.00 0.00 31.44 30.07 1qa9 n GLU 8 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1qa9 s THR 9 N 2.32 2.54 -0.21 2.62 2.01 0.17 -4.87 115.64 120.23 1qa9 s THR 9 Ca 0.99 -1.24 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 1qa9 s THR 9 Cb -1.31 -2.03 -0.00 0.00 0.01 0.00 0.00 72.50 69.17 1qa9 s THR 9 CO 0.70 0.37 -0.08 0.26 -0.69 0.00 0.00 174.62 175.18 1qa9 s TRP 10 N -0.86 2.92 0.27 4.92 0.52 -1.26 -0.61 118.94 124.84 1qa9 s TRP 10 Ca 0.13 -1.10 0.12 0.00 0.02 0.00 0.00 56.10 55.28 1qa9 s TRP 10 Cb -0.10 -2.06 -0.05 0.00 -1.15 0.00 0.00 33.47 30.10 1qa9 s TRP 10 CO 0.04 -0.61 -0.20 0.20 0.02 0.00 0.00 176.95 176.40 1qa9 s GLY 11 N 1.44 1.87 -0.15 0.98 0.00 -0.32 -4.96 107.32 106.17 1qa9 s GLY 11 Ca 0.06 -1.85 -0.00 0.00 0.00 0.00 0.00 44.72 42.92 1qa9 s GLY 11 CO -0.05 -1.94 -0.13 0.00 0.00 0.00 0.00 173.10 170.98 1qa9 s ALA 12 N -2.43 2.57 0.06 3.20 0.00 -1.26 -0.11 121.76 123.79 1qa9 s ALA 12 Ca 0.29 -1.01 -0.38 0.00 0.00 0.00 0.00 51.96 50.86 1qa9 s ALA 12 Cb -0.05 -1.27 -0.18 0.00 0.00 0.00 0.00 23.12 21.62 1qa9 s ALA 12 CO 0.15 0.01 1.19 -0.11 0.00 0.00 0.00 175.76 176.99 1qa9 n LEU 13 N 3.98 0.86 0.00 0.00 7.94 -1.20 -1.59 117.00 126.99 1qa9 n LEU 13 Ca -0.19 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 1qa9 n LEU 13 Cb 0.52 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.40 1qa9 n LEU 13 CO 0.29 -1.49 0.00 0.61 -1.11 0.00 0.00 177.39 175.70 1qa9 n GLY 14 N 2.04 2.66 3.94 -3.96 0.00 -1.11 -4.94 105.19 103.81 1qa9 n GLY 14 Ca 0.19 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1qa9 n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qa9 s GLN 15 N 0.00 2.53 0.38 1.61 -0.21 -0.62 -4.16 119.66 119.19 1qa9 s GLN 15 Ca 0.00 -0.34 -0.01 0.00 0.02 0.00 0.00 55.36 55.03 1qa9 s GLN 15 Cb 0.00 -2.30 -0.03 0.00 1.00 0.00 0.00 33.01 31.67 1qa9 s GLN 15 CO 0.00 -0.90 0.61 -0.51 -2.12 0.00 0.00 175.29 172.37 1qa9 s ASP 16 N -4.42 6.26 0.03 5.90 1.01 -1.26 -0.94 116.67 123.25 1qa9 s ASP 16 Ca 0.57 0.55 -0.04 0.00 0.71 0.00 0.00 52.55 54.34 1qa9 s ASP 16 Cb -0.11 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 1qa9 s ASP 16 CO 0.43 -0.39 0.06 -0.51 0.21 0.00 0.00 175.17 174.97 1qa9 s ILE 17 N -2.43 0.14 -0.16 0.77 2.07 -0.97 -4.91 121.20 115.71 1qa9 s ILE 17 Ca 0.42 -1.13 0.02 0.00 -1.41 0.00 0.00 60.65 58.55 1qa9 s ILE 17 Cb -0.10 -0.82 0.02 0.00 0.13 0.00 0.00 42.46 41.69 1qa9 s ILE 17 CO 0.38 -0.62 -0.21 0.20 -1.91 0.00 0.00 174.94 172.79 1qa9 s ASN 18 N -2.05 3.08 -0.70 4.50 -0.87 -1.26 -1.78 114.94 115.87 1qa9 s ASN 18 Ca -0.06 -0.62 -0.16 0.00 -1.57 0.00 0.00 52.86 50.45 1qa9 s ASN 18 Cb -0.02 -1.44 0.15 0.00 -0.02 0.00 0.00 41.25 39.92 1qa9 s ASN 18 CO -0.04 0.04 0.72 -0.76 -2.57 0.00 0.00 177.10 174.48 1qa9 s LEU 19 N 1.06 6.05 0.19 0.60 1.43 -0.55 -5.00 118.68 122.45 1qa9 s LEU 19 Ca -0.01 -2.04 -0.13 0.00 -1.03 0.00 0.00 54.13 50.92 1qa9 s LEU 19 Cb -0.14 -2.26 -0.07 0.00 0.03 0.00 0.00 46.19 43.75 1qa9 s LEU 19 CO -0.07 -0.85 0.58 -1.81 0.23 0.00 0.00 176.35 174.42 1qa9 s ASP 20 N 3.12 6.77 -0.25 2.29 1.01 -1.26 -2.96 116.67 125.39 1qa9 s ASP 20 Ca 0.14 1.07 -0.14 0.00 0.71 0.00 0.00 52.55 54.32 1qa9 s ASP 20 Cb -0.19 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1qa9 s ASP 20 CO -0.02 0.02 0.34 -0.63 0.21 0.00 0.00 175.17 175.09 1qa9 s ILE 21 N -1.62 5.22 0.00 0.77 -1.09 -1.26 -5.07 121.20 118.14 1qa9 s ILE 21 Ca 0.42 0.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.37 1qa9 s ILE 21 Cb -0.13 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1qa9 s ILE 21 CO 0.20 0.22 0.00 -2.65 -1.23 0.00 0.00 174.94 171.47 1qa9 n PRO 22 N 4.92 0.00 -0.14 2.79 -0.02 -1.26 -3.71 135.00 137.58 1qa9 n PRO 22 Ca -0.10 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1qa9 n PRO 22 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.99 1qa9 n PRO 22 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1qa9 n SER 23 N 0.00 1.29 -4.85 2.55 7.64 -1.26 -4.82 113.62 114.17 1qa9 n SER 23 Ca 0.00 -1.40 -0.35 0.00 1.01 0.00 0.00 58.87 58.13 1qa9 n SER 23 Cb 0.00 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.86 1qa9 n SER 23 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1qa9 s PHE 24 N 1.66 3.62 -0.05 1.43 5.36 -1.24 -5.08 117.98 123.67 1qa9 s PHE 24 Ca 0.02 0.96 -0.00 0.00 -0.96 0.00 0.00 56.93 56.95 1qa9 s PHE 24 Cb 0.01 -2.29 0.03 0.00 -0.34 0.00 0.00 43.02 40.43 1qa9 s PHE 24 CO 0.00 0.49 -0.02 -0.65 -1.46 0.00 0.00 175.22 173.58 1qa9 s GLN 25 N -1.81 0.66 -0.02 10.12 -0.21 -1.26 -5.06 119.66 122.08 1qa9 s GLN 25 Ca 0.34 0.01 -0.30 0.00 0.02 0.00 0.00 55.36 55.43 1qa9 s GLN 25 Cb -0.15 -0.84 -0.05 0.00 1.00 0.00 0.00 33.01 32.97 1qa9 s GLN 25 CO 0.18 -0.18 1.40 -1.64 -2.12 0.00 0.00 175.29 172.93 1qa9 s MET 26 N 1.36 4.27 0.00 2.91 -1.94 -1.26 -5.00 119.30 119.65 1qa9 s MET 26 Ca -0.04 1.94 0.00 0.00 -1.71 0.00 0.00 55.69 55.88 1qa9 s MET 26 Cb -0.13 -3.63 0.00 0.00 2.01 0.00 0.00 34.83 33.07 1qa9 s MET 26 CO -0.02 -0.61 0.00 -1.13 -0.01 0.00 0.00 175.02 173.25 1qa9 n SER 27 N 5.66 1.43 -0.01 3.03 3.41 -1.26 -5.05 113.62 120.83 1qa9 n SER 27 Ca 0.13 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.81 1qa9 n SER 27 Cb 0.44 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 1qa9 n SER 27 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1qa9 n ASP 28 N 0.00 1.69 0.03 4.04 8.00 -1.26 -4.28 116.55 124.77 1qa9 n ASP 28 Ca 0.00 -0.10 0.11 0.00 0.71 0.00 0.00 54.79 55.51 1qa9 n ASP 28 Cb 0.00 1.55 0.46 0.00 -0.02 0.00 0.00 41.12 43.11 1qa9 n ASP 28 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1qa9 n ASP 29 N -1.90 0.20 -4.77 -2.24 8.00 -1.26 -4.78 116.55 109.80 1qa9 n ASP 29 Ca -0.02 0.53 -0.38 0.00 0.71 0.00 0.00 54.79 55.64 1qa9 n ASP 29 Cb 0.34 -0.58 -0.04 0.00 -0.02 0.00 0.00 41.12 40.82 1qa9 n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qa9 s ILE 30 N -3.06 3.54 0.18 0.53 -1.09 -1.26 0.31 121.20 120.35 1qa9 s ILE 30 Ca 0.10 1.30 0.00 0.00 -2.23 0.00 0.00 60.65 59.82 1qa9 s ILE 30 Cb 0.13 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1qa9 s ILE 30 CO 0.42 0.13 0.00 -0.67 -1.23 0.00 0.00 174.94 173.59 1qa9 n ASP 31 N 0.32 -0.25 -4.08 3.58 2.03 -0.45 -4.69 116.55 113.01 1qa9 n ASP 31 Ca 0.03 0.31 -0.34 0.00 0.52 0.00 0.00 54.79 55.31 1qa9 n ASP 31 Cb 0.48 0.38 -0.13 0.00 -0.72 0.00 0.00 41.12 41.12 1qa9 n ASP 31 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1qa9 s ASP 32 N -4.82 4.97 -0.34 1.67 2.15 -0.83 -0.13 116.67 119.32 1qa9 s ASP 32 Ca 0.00 -2.00 -0.15 0.00 0.43 0.00 0.00 52.55 50.83 1qa9 s ASP 32 Cb 0.00 -1.72 -0.01 0.00 -0.30 0.00 0.00 42.92 40.89 1qa9 s ASP 32 CO 0.00 -0.43 0.36 -0.63 -0.17 0.00 0.00 175.17 174.30 1qa9 s ILE 33 N 1.04 5.17 -0.05 4.11 1.01 0.04 -0.61 121.20 131.91 1qa9 s ILE 33 Ca 0.08 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.81 1qa9 s ILE 33 Cb -0.21 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 1qa9 s ILE 33 CO -0.06 -0.09 -0.19 -0.75 0.00 0.00 0.00 174.94 173.85 1qa9 s LYS 34 N 2.01 2.44 -0.24 2.79 2.20 0.29 -0.79 119.74 128.44 1qa9 s LYS 34 Ca 0.11 -0.79 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 1qa9 s LYS 34 Cb -0.17 -2.27 0.06 0.00 -1.51 0.00 0.00 37.83 33.95 1qa9 s LYS 34 CO 0.12 0.55 -0.07 -1.58 -0.36 0.00 0.00 175.35 174.01 1qa9 s TRP 35 N -0.57 2.62 -0.03 4.03 0.52 -1.02 0.34 118.94 124.83 1qa9 s TRP 35 Ca 0.08 -1.90 0.02 0.00 0.02 0.00 0.00 56.10 54.32 1qa9 s TRP 35 Cb -0.11 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 1qa9 s TRP 35 CO 0.01 -0.80 -0.08 -2.00 0.02 0.00 0.00 176.95 174.09 1qa9 s GLU 36 N 1.32 2.61 -0.75 4.98 2.12 0.93 -2.04 118.70 127.87 1qa9 s GLU 36 Ca -0.07 -0.65 -0.13 0.00 0.36 0.00 0.00 54.97 54.49 1qa9 s GLU 36 Cb -0.19 -2.51 0.20 0.00 0.26 0.00 0.00 34.13 31.88 1qa9 s GLU 36 CO -0.06 0.63 0.68 0.21 -0.54 0.00 0.00 175.26 176.18 1qa9 s LYS 37 N -1.06 3.35 0.00 4.30 2.20 -1.26 -0.92 119.74 126.35 1qa9 s LYS 37 Ca 0.14 -2.34 0.00 0.00 -0.36 0.00 0.00 55.97 53.41 1qa9 s LYS 37 Cb -0.11 -4.31 0.00 0.00 -1.51 0.00 0.00 37.83 31.90 1qa9 s LYS 37 CO 0.04 -1.28 0.05 2.41 -0.36 0.00 0.00 175.35 176.21 1qa9 n THR 38 N 4.12 0.00 0.00 3.43 -1.04 -0.67 -1.35 114.28 118.77 1qa9 n THR 38 Ca 0.08 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1qa9 n THR 38 Cb 0.45 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 1qa9 n THR 38 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1qa9 n SER 39 N -0.31 0.00 0.23 8.00 7.64 -1.26 0.15 113.62 128.06 1qa9 n SER 39 Ca 0.00 0.10 0.09 0.00 1.01 0.00 0.00 58.87 60.06 1qa9 n SER 39 Cb 0.00 -0.04 0.55 0.00 -1.01 0.00 0.00 64.21 63.72 1qa9 n SER 39 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1qa9 h ASP 40 N 0.00 0.00 -4.00 6.43 3.32 -1.95 -3.47 116.42 116.74 1qa9 h ASP 40 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1qa9 h ASP 40 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 1qa9 h ASP 40 CO 0.00 0.22 -0.43 1.17 -1.72 0.00 0.00 179.24 178.48 1qa9 n LYS 41 N -3.78 -4.48 -3.67 3.56 4.81 0.39 -5.05 118.16 109.94 1qa9 n LYS 41 Ca -0.02 0.50 -0.10 0.00 -0.87 0.00 0.00 58.31 57.82 1qa9 n LYS 41 Cb 0.32 -4.52 -0.11 0.00 0.02 0.00 0.00 35.03 30.74 1qa9 n LYS 41 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1qa9 s LYS 42 N -5.42 0.29 0.32 1.64 2.20 -1.26 -4.99 119.74 112.52 1qa9 s LYS 42 Ca 0.22 0.88 -0.25 0.00 -0.36 0.00 0.00 55.97 56.46 1qa9 s LYS 42 Cb -0.10 0.14 -0.15 0.00 -1.51 0.00 0.00 37.83 36.21 1qa9 s LYS 42 CO 0.44 -0.23 0.45 0.36 -0.36 0.00 0.00 175.35 176.00 1qa9 n LYS 43 N 5.05 0.26 -0.04 4.03 2.85 -1.26 -4.20 118.16 124.85 1qa9 n LYS 43 Ca -0.12 0.09 -0.04 0.00 -1.05 0.00 0.00 58.31 57.19 1qa9 n LYS 43 Cb 0.51 -1.20 -0.07 0.00 -0.65 0.00 0.00 35.03 33.62 1qa9 n LYS 43 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1qa9 n ILE 44 N -0.47 0.59 -4.02 0.58 -5.35 -0.87 -4.80 119.36 105.02 1qa9 n ILE 44 Ca 0.14 -0.36 -0.10 0.00 -0.27 0.00 0.00 62.75 62.16 1qa9 n ILE 44 Cb 0.33 -0.77 -0.11 0.00 -1.74 0.00 0.00 39.64 37.35 1qa9 n ILE 44 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qa9 s ALA 45 N -2.21 0.32 -0.29 -1.28 0.00 -1.25 0.40 121.76 117.45 1qa9 s ALA 45 Ca -0.04 -0.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 1qa9 s ALA 45 Cb 0.03 0.15 0.13 0.00 0.00 0.00 0.00 23.12 23.43 1qa9 s ALA 45 CO 0.35 -0.17 0.89 -1.14 0.00 0.00 0.00 175.76 175.69 1qa9 s GLN 46 N -2.02 0.46 -0.30 0.00 0.74 -0.91 -2.45 119.66 115.18 1qa9 s GLN 46 Ca -0.10 0.84 -0.02 0.00 0.05 0.00 0.00 55.36 56.14 1qa9 s GLN 46 Cb -0.06 0.16 0.05 0.00 1.10 0.00 0.00 33.01 34.26 1qa9 s GLN 46 CO -0.02 -0.10 0.00 0.12 -0.55 0.00 0.00 175.29 174.74 1qa9 s PHE 47 N 1.59 3.28 -0.16 1.67 5.36 0.03 -1.86 117.98 127.89 1qa9 s PHE 47 Ca -0.09 -1.92 -0.02 0.00 -0.96 0.00 0.00 56.93 53.94 1qa9 s PHE 47 Cb -0.05 -2.16 -0.02 0.00 -0.34 0.00 0.00 43.02 40.46 1qa9 s PHE 47 CO -0.17 -0.82 -0.08 1.03 -1.46 0.00 0.00 175.22 173.73 1qa9 s ARG 48 N 1.24 3.46 0.00 10.12 1.81 -1.23 -0.78 118.95 133.56 1qa9 s ARG 48 Ca -0.05 -0.63 0.00 0.00 -1.72 0.00 0.00 55.73 53.34 1qa9 s ARG 48 Cb -0.20 -2.80 0.00 0.00 -0.45 0.00 0.00 34.95 31.50 1qa9 s ARG 48 CO -0.01 0.11 0.00 1.17 -0.68 0.00 0.00 175.30 175.89 1qa9 n LYS 49 N 3.86 0.00 -3.88 3.54 3.00 0.81 -1.53 118.16 123.96 1qa9 n LYS 49 Ca -0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.84 1qa9 n LYS 49 Cb 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.43 1qa9 n LYS 49 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1qa9 s GLU 50 N 0.00 2.17 0.00 1.64 2.02 -1.26 -4.77 118.70 118.50 1qa9 s GLU 50 Ca 0.00 -2.99 0.00 0.00 0.02 0.00 0.00 54.97 52.00 1qa9 s GLU 50 Cb 0.00 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1qa9 s GLU 50 CO 0.00 -1.23 0.35 1.63 0.02 0.00 0.00 175.26 176.03 1qa9 n LYS 51 N 2.45 0.00 -0.34 1.61 5.02 -0.58 -5.12 118.16 121.19 1qa9 n LYS 51 Ca 0.15 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1qa9 n LYS 51 Cb 0.35 -0.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.91 1qa9 n LYS 51 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1qa9 n GLU 52 N 0.00 0.00 -1.68 1.97 2.13 -1.26 -4.98 120.64 116.83 1qa9 n GLU 52 Ca 0.00 0.25 -0.47 0.00 0.66 0.00 0.00 57.16 57.60 1qa9 n GLU 52 Cb 0.45 -0.09 -0.04 0.00 0.27 0.00 0.00 31.44 32.02 1qa9 n GLU 52 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1qa9 n THR 53 N 1.51 0.40 -3.51 6.31 -1.04 -1.26 -4.75 114.28 111.95 1qa9 n THR 53 Ca 0.00 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.05 61.56 1qa9 n THR 53 Cb 0.00 -1.81 -0.06 0.00 -1.82 0.00 0.00 70.33 66.64 1qa9 n THR 53 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1qa9 s PHE 54 N 3.04 3.67 -0.09 -1.42 5.36 -0.78 -4.98 117.98 122.78 1qa9 s PHE 54 Ca 0.88 0.91 -0.04 0.00 -0.96 0.00 0.00 56.93 57.72 1qa9 s PHE 54 Cb -0.66 -2.30 0.05 0.00 -0.34 0.00 0.00 43.02 39.76 1qa9 s PHE 54 CO 0.46 0.55 0.18 -1.59 -1.46 0.00 0.00 175.22 173.36 1qa9 s LYS 55 N -0.70 0.09 0.05 10.12 -2.85 -1.26 -2.14 119.74 123.05 1qa9 s LYS 55 Ca 0.23 0.51 -0.31 0.00 -1.00 0.00 0.00 55.97 55.40 1qa9 s LYS 55 Cb -0.16 -0.19 -0.18 0.00 -2.06 0.00 0.00 37.83 35.24 1qa9 s LYS 55 CO 0.11 -0.24 1.50 1.49 0.10 0.00 0.00 175.35 178.32 1qa9 h GLU 56 N 7.81 -0.80 -5.86 1.78 4.81 -0.37 -3.45 114.58 118.51 1qa9 h GLU 56 Ca -0.27 0.05 -0.53 0.00 -0.13 0.00 0.00 59.36 58.48 1qa9 h GLU 56 Cb 1.13 0.18 -0.25 0.00 0.63 0.00 0.00 28.75 30.44 1qa9 h GLU 56 CO 0.27 -0.50 -0.82 0.15 -0.73 0.00 0.00 179.01 177.38 1qa9 s LYS 57 N -5.67 1.19 0.00 1.92 1.02 -1.26 -4.99 119.74 111.95 1qa9 s LYS 57 Ca -0.17 -0.93 0.02 0.00 0.02 0.00 0.00 55.97 54.90 1qa9 s LYS 57 Cb 0.03 -1.30 0.07 0.00 -0.52 0.00 0.00 37.83 36.11 1qa9 s LYS 57 CO 0.58 0.32 0.97 -0.40 -0.92 0.00 0.00 175.35 175.90 1qa9 n ASP 58 N 1.69 0.00 0.32 2.83 5.68 -1.26 -0.35 116.55 125.46 1qa9 n ASP 58 Ca -0.18 0.40 0.20 0.00 -0.50 0.00 0.00 54.79 54.71 1qa9 n ASP 58 Cb 0.54 -0.41 1.05 0.00 -1.14 0.00 0.00 41.12 41.16 1qa9 n ASP 58 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1qa9 h THR 59 N 0.00 0.09 -2.85 2.12 2.02 -1.93 -3.42 112.91 108.95 1qa9 h THR 59 Ca 0.00 -0.15 -0.60 0.00 0.77 0.00 0.00 66.41 66.43 1qa9 h THR 59 Cb 0.02 1.14 -0.10 0.00 -1.74 0.00 0.00 68.15 67.46 1qa9 h THR 59 CO 0.00 0.01 -0.64 -0.31 0.37 0.00 0.00 175.52 174.95 1qa9 s TYR 60 N -4.09 2.89 -0.19 3.16 2.02 0.52 -0.47 117.35 121.19 1qa9 s TYR 60 Ca -0.04 -0.12 -0.13 0.00 -0.37 0.00 0.00 57.07 56.42 1qa9 s TYR 60 Cb 0.12 -1.40 0.06 0.00 -0.40 0.00 0.00 41.96 40.34 1qa9 s TYR 60 CO 0.46 0.52 0.48 -2.00 -1.57 0.00 0.00 175.55 173.45 1qa9 s GLU 61 N -2.97 0.50 -0.13 -0.62 2.12 -0.86 -4.92 118.70 111.83 1qa9 s GLU 61 Ca 0.28 0.84 -0.22 0.00 0.36 0.00 0.00 54.97 56.23 1qa9 s GLU 61 Cb -0.09 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.35 1qa9 s GLU 61 CO 0.19 -0.13 0.67 -1.17 -0.54 0.00 0.00 175.26 174.28 1qa9 s LEU 62 N 1.14 4.24 -0.06 2.70 2.96 -1.26 -0.82 118.68 127.58 1qa9 s LEU 62 Ca -0.07 1.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.89 1qa9 s LEU 62 Cb -0.06 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 1qa9 s LEU 62 CO -0.11 -0.18 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.86 1qa9 s LEU 63 N 1.28 2.84 0.01 -0.68 1.43 0.98 -4.94 118.68 119.58 1qa9 s LEU 63 Ca 0.33 -0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 52.98 1qa9 s LEU 63 Cb -0.17 -1.59 -0.14 0.00 0.03 0.00 0.00 46.19 44.32 1qa9 s LEU 63 CO 0.14 0.33 0.75 1.17 0.23 0.00 0.00 176.35 178.96 1qa9 n LYS 64 N 2.45 0.00 -1.93 1.70 4.81 -1.26 -0.86 118.16 123.07 1qa9 n LYS 64 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1qa9 n LYS 64 Cb 0.52 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 34.52 1qa9 n LYS 64 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1qa9 n ASN 65 N 1.10 -1.49 -3.53 3.14 3.02 -1.26 -4.31 115.26 111.93 1qa9 n ASN 65 Ca 0.14 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.44 1qa9 n ASN 65 Cb 0.06 -0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 38.83 1qa9 n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qa9 n GLY 66 N -0.47 -0.48 3.68 7.41 0.00 -0.88 -4.66 105.19 109.79 1qa9 n GLY 66 Ca 0.00 0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1qa9 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qa9 s ALA 67 N -2.96 3.48 -0.11 4.61 0.00 -0.04 -4.77 121.76 121.98 1qa9 s ALA 67 Ca 0.46 -0.12 -0.18 0.00 0.00 0.00 0.00 51.96 52.12 1qa9 s ALA 67 Cb -0.25 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1qa9 s ALA 67 CO 0.57 -0.39 0.48 -1.17 0.00 0.00 0.00 175.76 175.25 1qa9 s LEU 68 N 1.52 4.29 -0.18 0.00 1.98 -1.16 -0.02 118.68 125.12 1qa9 s LEU 68 Ca 0.32 0.84 -0.03 0.00 -2.89 0.00 0.00 54.13 52.37 1qa9 s LEU 68 Cb -0.16 -2.71 -0.01 0.00 0.66 0.00 0.00 46.19 43.97 1qa9 s LEU 68 CO 0.12 0.02 -0.06 -0.75 -1.89 0.00 0.00 176.35 173.79 1qa9 s LYS 69 N 0.51 3.45 -0.52 1.98 2.20 0.00 -1.48 119.74 125.88 1qa9 s LYS 69 Ca 0.26 -0.61 -0.07 0.00 -0.36 0.00 0.00 55.97 55.19 1qa9 s LYS 69 Cb -0.15 -2.89 0.13 0.00 -1.51 0.00 0.00 37.83 33.41 1qa9 s LYS 69 CO 0.11 0.02 0.37 0.42 -0.36 0.00 0.00 175.35 175.91 1qa9 s ILE 70 N 0.90 4.08 0.62 5.43 1.01 -0.73 -2.04 121.20 130.47 1qa9 s ILE 70 Ca -0.01 -2.09 -0.17 0.00 0.00 0.00 0.00 60.65 58.37 1qa9 s ILE 70 Cb -0.15 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1qa9 s ILE 70 CO 0.01 -0.80 1.16 -0.54 0.00 0.00 0.00 174.94 174.77 1qa9 s LYS 71 N 0.98 2.87 -0.14 2.79 1.02 0.38 -2.30 119.74 125.34 1qa9 s LYS 71 Ca 0.09 1.64 -0.13 0.00 0.02 0.00 0.00 55.97 57.59 1qa9 s LYS 71 Cb -0.23 -1.94 0.02 0.00 -0.52 0.00 0.00 37.83 35.16 1qa9 s LYS 71 CO -0.02 -1.24 0.21 0.72 -0.92 0.00 0.00 175.35 174.10 1qa9 n HIS 72 N -1.95 -0.86 -1.27 3.18 8.25 -1.25 -4.76 115.22 116.57 1qa9 n HIS 72 Ca 0.12 0.36 -0.37 0.00 -0.26 0.00 0.00 57.72 57.57 1qa9 n HIS 72 Cb 0.51 -0.55 0.05 0.00 1.12 0.00 0.00 29.99 31.11 1qa9 n HIS 72 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1qa9 n LEU 73 N -0.05 -0.45 0.00 2.41 4.77 -0.12 -4.76 117.00 118.80 1qa9 n LEU 73 Ca -0.03 0.59 -0.17 0.00 -0.03 0.00 0.00 56.01 56.37 1qa9 n LEU 73 Cb 0.22 -1.11 -0.06 0.00 -2.33 0.00 0.00 43.42 40.14 1qa9 n LEU 73 CO 0.18 -3.61 -0.10 0.29 -1.33 0.00 0.00 177.39 172.82 1qa9 n LYS 74 N -0.01 0.49 0.13 3.23 5.02 -1.26 -2.76 118.16 123.00 1qa9 n LYS 74 Ca 0.09 -2.61 -0.01 0.00 -2.02 0.00 0.00 58.31 53.76 1qa9 n LYS 74 Cb 0.50 1.77 0.15 0.00 -0.02 0.00 0.00 35.03 37.42 1qa9 n LYS 74 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1qa9 h THR 75 N 1.67 1.43 0.08 -0.18 2.02 -1.99 -3.10 112.91 112.83 1qa9 h THR 75 Ca -0.21 -2.24 -0.25 0.00 0.77 0.00 0.00 66.41 64.48 1qa9 h THR 75 Cb 0.93 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 1qa9 h THR 75 CO 0.33 0.63 -1.13 0.44 0.37 0.00 0.00 175.52 176.16 1qa9 h ASP 76 N 0.00 0.29 0.00 4.18 5.19 -2.01 -3.28 116.42 120.80 1qa9 h ASP 76 Ca -0.01 -0.30 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1qa9 h ASP 76 Cb 1.17 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.58 1qa9 h ASP 76 CO 0.08 1.22 0.00 0.47 -3.12 0.00 0.00 179.24 177.89 1qa9 n ASP 77 N -3.50 0.00 -4.41 6.45 8.00 -1.17 -4.33 116.55 117.58 1qa9 n ASP 77 Ca -0.06 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.00 1qa9 n ASP 77 Cb 0.97 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 42.01 1qa9 n ASP 77 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1qa9 s GLN 78 N -1.90 3.08 0.00 -1.24 0.74 -1.24 -4.89 119.66 114.20 1qa9 s GLN 78 Ca 0.00 -1.11 0.00 0.00 0.05 0.00 0.00 55.36 54.30 1qa9 s GLN 78 Cb 0.00 -4.16 0.00 0.00 1.10 0.00 0.00 33.01 29.95 1qa9 s GLN 78 CO 0.00 -1.29 0.00 -3.47 -0.55 0.00 0.00 175.29 169.98 1qa9 n ASP 79 N 6.05 0.00 -4.32 6.67 -0.08 -1.23 -5.04 116.55 118.60 1qa9 n ASP 79 Ca -0.08 -0.95 -0.39 0.00 -1.51 0.00 0.00 54.79 51.85 1qa9 n ASP 79 Cb 0.44 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.78 1qa9 n ASP 79 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1qa9 s ILE 80 N -2.77 4.21 -0.14 5.18 1.01 -1.26 -2.43 121.20 124.99 1qa9 s ILE 80 Ca 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 60.65 59.54 1qa9 s ILE 80 Cb 0.00 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1qa9 s ILE 80 CO 0.00 -0.24 0.16 -0.31 0.00 0.00 0.00 174.94 174.55 1qa9 s TYR 81 N 1.48 3.54 0.05 3.97 1.51 -0.21 -1.68 117.35 126.00 1qa9 s TYR 81 Ca 0.00 0.49 0.08 0.00 -1.01 0.00 0.00 57.07 56.64 1qa9 s TYR 81 Cb -0.20 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 1qa9 s TYR 81 CO 0.05 0.55 -0.22 0.21 -1.11 0.00 0.00 175.55 175.03 1qa9 s LYS 82 N -0.48 1.48 -0.10 -0.62 2.20 -0.10 0.72 119.74 122.85 1qa9 s LYS 82 Ca 0.13 -1.01 0.04 0.00 -0.36 0.00 0.00 55.97 54.77 1qa9 s LYS 82 Cb -0.12 -1.64 0.00 0.00 -1.51 0.00 0.00 37.83 34.57 1qa9 s LYS 82 CO 0.03 0.42 -0.22 0.08 -0.36 0.00 0.00 175.35 175.29 1qa9 s VAL 83 N -0.83 1.95 -0.20 4.02 1.01 -0.48 -0.05 120.40 125.83 1qa9 s VAL 83 Ca 0.09 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1qa9 s VAL 83 Cb -0.09 -1.69 0.04 0.00 0.00 0.00 0.00 36.38 34.63 1qa9 s VAL 83 CO 0.02 0.53 -0.14 -0.44 0.00 0.00 0.00 175.10 175.08 1qa9 s SER 84 N 0.42 3.39 -0.18 3.32 0.01 0.15 -3.10 113.70 117.70 1qa9 s SER 84 Ca -0.18 -0.85 -0.01 0.00 1.31 0.00 0.00 55.95 56.22 1qa9 s SER 84 Cb -0.18 -1.34 -0.00 0.00 0.21 0.00 0.00 66.02 64.71 1qa9 s SER 84 CO 0.08 -0.10 -0.11 -0.51 0.41 0.00 0.00 173.24 173.00 1qa9 s ILE 85 N 1.33 2.87 0.10 1.44 2.07 -1.19 0.11 121.20 127.94 1qa9 s ILE 85 Ca 0.00 -0.68 0.08 0.00 -1.41 0.00 0.00 60.65 58.64 1qa9 s ILE 85 Cb -0.15 -2.25 -0.04 0.00 0.13 0.00 0.00 42.46 40.14 1qa9 s ILE 85 CO -0.09 0.48 -0.13 -0.31 -1.91 0.00 0.00 174.94 172.98 1qa9 s TYR 86 N 1.13 2.66 0.28 3.50 2.02 0.22 -0.32 117.35 126.84 1qa9 s TYR 86 Ca 0.01 -0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 1qa9 s TYR 86 Cb -0.14 -1.41 0.06 0.00 -0.40 0.00 0.00 41.96 40.07 1qa9 s TYR 86 CO -0.04 0.40 0.39 -0.40 -1.57 0.00 0.00 175.55 174.33 1qa9 n ASP 87 N 0.82 0.38 -0.05 2.29 5.75 -0.43 -1.35 116.55 123.96 1qa9 n ASP 87 Ca -0.14 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 1qa9 n ASP 87 Cb 0.52 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1qa9 n ASP 87 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1qa9 n THR 88 N -2.09 0.00 -0.23 2.12 -1.04 0.15 -2.75 114.28 110.44 1qa9 n THR 88 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1qa9 n THR 88 Cb 0.21 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 1qa9 n THR 88 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1qa9 n LYS 89 N -0.44 0.83 -0.88 -2.82 5.02 -1.26 -4.98 118.16 113.63 1qa9 n LYS 89 Ca 0.00 -0.84 0.00 0.00 -2.02 0.00 0.00 58.31 55.45 1qa9 n LYS 89 Cb 0.02 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1qa9 n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qa9 n GLY 90 N -0.20 0.49 3.92 0.72 0.00 -1.11 -5.04 105.19 103.96 1qa9 n GLY 90 Ca 0.00 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 1qa9 n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qa9 s LYS 91 N -1.24 3.55 -0.29 1.61 1.02 -1.26 -4.89 119.74 118.23 1qa9 s LYS 91 Ca 0.00 -0.26 -0.22 0.00 0.02 0.00 0.00 55.97 55.50 1qa9 s LYS 91 Cb 0.00 -2.81 -0.00 0.00 -0.52 0.00 0.00 37.83 34.49 1qa9 s LYS 91 CO 0.00 0.38 0.73 1.21 -0.92 0.00 0.00 175.35 176.76 1qa9 s ASN 92 N -3.08 6.63 0.08 2.83 3.84 -1.26 -1.31 114.94 122.66 1qa9 s ASN 92 Ca 0.39 0.64 0.03 0.00 0.21 0.00 0.00 52.86 54.14 1qa9 s ASN 92 Cb -0.11 -2.38 -0.24 0.00 -0.55 0.00 0.00 41.25 37.97 1qa9 s ASN 92 CO 0.29 -0.54 1.12 0.58 -2.79 0.00 0.00 177.10 175.76 1qa9 h VAL 93 N 5.55 1.50 0.00 -5.21 2.07 -1.02 -3.48 116.25 115.66 1qa9 h VAL 93 Ca -0.25 -3.17 0.00 0.00 0.82 0.00 0.00 66.70 64.10 1qa9 h VAL 93 Cb 1.10 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 1qa9 h VAL 93 CO 0.85 0.89 0.00 0.00 0.02 0.00 0.00 177.57 179.33 1qa9 n LEU 94 N -3.38 0.00 -3.77 2.57 -0.00 -1.23 -5.05 117.00 106.14 1qa9 n LEU 94 Ca -0.06 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.76 1qa9 n LEU 94 Cb 0.99 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 44.24 1qa9 n LEU 94 CO 0.49 0.00 -0.37 -0.70 -0.00 0.00 0.00 177.39 176.82 1qa9 s GLU 95 N -2.00 0.25 0.03 1.47 2.12 -1.26 -3.14 118.70 116.17 1qa9 s GLU 95 Ca 0.00 0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.51 1qa9 s GLU 95 Cb 0.00 -0.58 -0.02 0.00 0.26 0.00 0.00 34.13 33.79 1qa9 s GLU 95 CO 0.00 -0.22 -0.06 0.15 -0.54 0.00 0.00 175.26 174.59 1qa9 s LYS 96 N 1.51 0.44 -0.04 4.30 1.02 -1.18 -5.03 119.74 120.77 1qa9 s LYS 96 Ca -0.03 -0.69 0.07 0.00 0.02 0.00 0.00 55.97 55.34 1qa9 s LYS 96 Cb -0.13 -0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 37.04 1qa9 s LYS 96 CO -0.03 0.01 -0.25 0.42 -0.92 0.00 0.00 175.35 174.59 1qa9 s ILE 97 N -1.40 1.97 -0.07 2.17 1.01 -1.26 -1.38 121.20 122.24 1qa9 s ILE 97 Ca -0.12 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.52 1qa9 s ILE 97 Cb -0.10 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 1qa9 s ILE 97 CO -0.00 0.55 -0.19 -0.36 0.00 0.00 0.00 174.94 174.95 1qa9 s PHE 98 N -0.38 2.62 -0.87 3.97 0.40 0.22 -1.74 117.98 122.19 1qa9 s PHE 98 Ca 0.04 -0.52 -0.06 0.00 -0.60 0.00 0.00 56.93 55.79 1qa9 s PHE 98 Cb -0.11 -1.67 0.22 0.00 0.51 0.00 0.00 43.02 41.97 1qa9 s PHE 98 CO 0.01 -0.08 0.78 0.34 0.70 0.00 0.00 175.22 176.97 1qa9 s ASP 99 N -0.22 6.28 -0.60 1.36 -1.08 -1.23 -1.05 116.67 120.13 1qa9 s ASP 99 Ca -0.00 -3.31 -0.27 0.00 -0.52 0.00 0.00 52.55 48.45 1qa9 s ASP 99 Cb -0.13 -2.02 -0.02 0.00 -1.46 0.00 0.00 42.92 39.29 1qa9 s ASP 99 CO 0.03 -0.32 1.79 -0.22 0.52 0.00 0.00 175.17 176.97 1qa9 s LEU 100 N -0.76 3.30 -0.37 -1.34 2.96 -1.02 -0.65 118.68 120.80 1qa9 s LEU 100 Ca 0.24 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.44 1qa9 s LEU 100 Cb -0.11 -2.63 0.07 0.00 0.50 0.00 0.00 46.19 44.01 1qa9 s LEU 100 CO -0.09 -2.25 0.16 -0.54 -1.32 0.00 0.00 176.35 172.31 1qa9 s LYS 101 N 6.76 2.46 -0.11 1.98 1.02 0.22 -3.47 119.74 128.60 1qa9 s LYS 101 Ca 0.65 -1.41 -0.20 0.00 0.02 0.00 0.00 55.97 55.03 1qa9 s LYS 101 Cb -0.13 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 1qa9 s LYS 101 CO 0.21 -0.83 0.55 0.96 -0.92 0.00 0.00 175.35 175.32 1qa9 s ILE 102 N 1.33 5.13 -0.12 2.17 -4.36 -1.26 -1.17 121.20 122.92 1qa9 s ILE 102 Ca 0.01 1.11 -0.14 0.00 -0.26 0.00 0.00 60.65 61.37 1qa9 s ILE 102 Cb -0.21 -3.89 -0.05 0.00 1.25 0.00 0.00 42.46 39.56 1qa9 s ILE 102 CO 0.01 0.28 0.31 0.00 0.24 0.00 0.00 174.94 175.78 1qa9 s GLN 103 N 0.83 4.11 -1.40 0.37 -2.07 0.85 -4.89 119.66 117.45 1qa9 s GLN 103 Ca 0.29 0.16 -0.08 0.00 -1.82 0.00 0.00 55.36 53.91 1qa9 s GLN 103 Cb -0.16 -3.36 0.07 0.00 -1.09 0.00 0.00 33.01 28.47 1qa9 s GLN 103 CO 0.12 0.37 2.45 0.39 -1.32 0.00 0.00 175.29 177.31 1qa9 n GLU 104 N 3.09 4.12 0.00 9.60 1.02 -1.26 -3.20 120.64 134.01 1qa9 n GLU 104 Ca -0.13 -3.10 0.00 0.00 -0.02 0.00 0.00 57.16 53.92 1qa9 n GLU 104 Cb 0.52 -2.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.19 1qa9 n GLU 104 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18