#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qn0 n ASP 2 N 0.00 0.26 -4.62 6.55 5.75 -1.26 -4.65 116.55 118.58 1qn0 n ASP 2 Ca 0.00 1.03 -0.49 0.00 -0.01 0.00 0.00 54.79 55.32 1qn0 n ASP 2 Cb 0.00 -0.80 -0.05 0.00 -1.03 0.00 0.00 41.12 39.24 1qn0 n ASP 2 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1qn0 n VAL 3 N 1.87 0.45 -0.95 2.12 3.14 -1.26 -4.88 118.33 118.82 1qn0 n VAL 3 Ca 0.20 -0.19 -0.37 0.00 -2.96 0.00 0.00 64.34 61.03 1qn0 n VAL 3 Cb 0.04 -1.88 0.06 0.00 -1.06 0.00 0.00 33.84 30.99 1qn0 n VAL 3 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1qn0 n PRO 4 N 7.22 -0.21 -2.92 1.45 -0.02 -1.26 -4.91 135.00 134.36 1qn0 n PRO 4 Ca 0.28 -0.06 -0.33 0.00 -2.02 0.00 0.00 63.50 61.38 1qn0 n PRO 4 Cb 0.29 -1.15 -0.06 0.00 -0.02 0.00 0.00 33.50 32.56 1qn0 n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qn0 s ALA 5 N -2.06 3.17 0.81 3.55 0.00 -1.26 -4.73 121.76 121.24 1qn0 s ALA 5 Ca 0.41 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.55 1qn0 s ALA 5 Cb -0.04 -2.98 0.06 0.00 0.00 0.00 0.00 23.12 20.16 1qn0 s ALA 5 CO 0.72 0.18 0.14 -0.40 0.00 0.00 0.00 175.76 176.40 1qn0 n ASP 6 N -0.63 -1.88 -1.58 0.00 5.75 -1.26 -4.50 116.55 112.45 1qn0 n ASP 6 Ca 0.05 -0.14 -0.06 0.00 -0.01 0.00 0.00 54.79 54.63 1qn0 n ASP 6 Cb 0.54 -0.19 0.03 0.00 -1.03 0.00 0.00 41.12 40.46 1qn0 n ASP 6 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qn0 n GLY 7 N -0.72 0.36 3.26 6.12 0.00 -1.23 -5.00 105.19 107.97 1qn0 n GLY 7 Ca 0.02 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1qn0 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn0 s ALA 8 N -3.10 3.65 0.44 4.61 0.00 -0.60 -4.97 121.76 121.78 1qn0 s ALA 8 Ca 0.10 -2.78 -0.23 0.00 0.00 0.00 0.00 51.96 49.04 1qn0 s ALA 8 Cb -0.04 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 1qn0 s ALA 8 CO 0.22 -2.05 1.14 -1.59 0.00 0.00 0.00 175.76 173.48 1qn0 s LYS 9 N 1.03 3.90 -0.10 0.00 0.00 -1.26 -1.33 119.74 121.98 1qn0 s LYS 9 Ca 0.09 1.72 0.02 0.00 0.00 0.00 0.00 55.97 57.79 1qn0 s LYS 9 Cb -0.23 -2.48 0.01 0.00 0.00 0.00 0.00 37.83 35.13 1qn0 s LYS 9 CO -0.02 -0.41 -0.15 0.42 0.00 0.00 0.00 175.35 175.19 1qn0 s ILE 10 N -1.56 1.43 -0.37 3.79 1.01 0.13 -4.92 121.20 120.71 1qn0 s ILE 10 Ca 0.61 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1qn0 s ILE 10 Cb -0.27 -1.31 0.18 0.00 0.01 0.00 0.00 42.46 41.07 1qn0 s ILE 10 CO 0.33 0.43 0.76 -0.62 0.00 0.00 0.00 174.94 175.84 1qn0 s ASP 11 N 0.96 -1.16 -0.04 3.58 2.15 -1.26 -1.84 116.67 119.06 1qn0 s ASP 11 Ca -0.08 -0.45 0.05 0.00 0.43 0.00 0.00 52.55 52.50 1qn0 s ASP 11 Cb -0.15 1.52 -0.07 0.00 -0.30 0.00 0.00 42.92 43.93 1qn0 s ASP 11 CO -0.01 -0.14 0.04 0.49 -0.17 0.00 0.00 175.17 175.38 1qn0 n PHE 12 N 4.39 0.00 -3.19 -5.34 3.72 -1.26 -4.88 117.46 110.90 1qn0 n PHE 12 Ca 0.09 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 57.03 1qn0 n PHE 12 Cb 0.58 -0.23 -0.04 0.00 -0.94 0.00 0.00 39.48 38.86 1qn0 n PHE 12 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1qn0 s ILE 13 N -2.18 5.11 1.28 4.37 1.01 -1.26 -5.00 121.20 124.53 1qn0 s ILE 13 Ca -0.02 -1.58 -0.17 0.00 0.00 0.00 0.00 60.65 58.87 1qn0 s ILE 13 Cb 0.02 -4.49 0.32 0.00 0.01 0.00 0.00 42.46 38.32 1qn0 s ILE 13 CO 0.21 -1.09 0.99 0.00 0.00 0.00 0.00 174.94 175.06 1qn0 s ALA 14 N 1.76 -0.55 -0.40 9.38 0.00 -1.26 -4.63 121.76 126.06 1qn0 s ALA 14 Ca 0.14 -0.49 0.10 0.00 0.00 0.00 0.00 51.96 51.71 1qn0 s ALA 14 Cb -0.19 -3.09 0.35 0.00 0.00 0.00 0.00 23.12 20.18 1qn0 s ALA 14 CO -0.01 -4.15 0.91 0.41 0.00 0.00 0.00 175.76 172.92 1qn0 n GLY 15 N 0.89 2.33 5.74 0.00 0.00 -1.07 -4.96 105.19 108.12 1qn0 n GLY 15 Ca 0.07 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1qn0 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qn0 n GLY 16 N 0.24 0.89 0.16 -0.02 0.00 -1.26 -2.33 105.19 102.88 1qn0 n GLY 16 Ca 0.16 0.44 -0.28 0.00 0.00 0.00 0.00 46.02 46.34 1qn0 n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qn0 n GLU 17 N 0.00 0.58 -0.14 1.61 4.71 -1.26 -5.01 120.64 121.12 1qn0 n GLU 17 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 1qn0 n GLU 17 Cb 0.00 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 28.97 1qn0 n GLU 17 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1qn0 n LYS 18 N -4.14 0.65 0.00 3.49 2.85 -0.98 -5.12 118.16 114.90 1qn0 n LYS 18 Ca -0.53 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.73 1qn0 n LYS 18 Cb 0.88 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.26 1qn0 n LYS 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1qn0 n ASN 19 N -1.94 0.00 -4.72 -5.58 6.94 -1.26 -2.59 115.26 106.10 1qn0 n ASN 19 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.15 1qn0 n ASN 19 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 1qn0 n ASN 19 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1qn0 s LEU 20 N 0.00 4.44 -0.24 -4.53 1.43 -1.26 -5.01 118.68 113.51 1qn0 s LEU 20 Ca 0.00 1.89 0.02 0.00 -1.03 0.00 0.00 54.13 55.01 1qn0 s LEU 20 Cb 0.00 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.68 1qn0 s LEU 20 CO 0.00 -0.24 -0.13 -0.89 0.23 0.00 0.00 176.35 175.32 1qn0 s THR 21 N 0.40 2.26 -0.18 5.49 2.01 -1.26 -4.67 115.64 119.69 1qn0 s THR 21 Ca 0.51 -1.34 -0.09 0.00 0.31 0.00 0.00 61.69 61.08 1qn0 s THR 21 Cb -0.26 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 1qn0 s THR 21 CO 0.31 0.17 0.12 -0.69 -0.69 0.00 0.00 174.62 173.83 1qn0 s VAL 22 N 1.19 5.28 -0.12 3.82 1.01 -0.76 -4.81 120.40 126.00 1qn0 s VAL 22 Ca -0.04 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 1qn0 s VAL 22 Cb -0.17 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 1qn0 s VAL 22 CO -0.07 0.48 0.29 -0.69 0.00 0.00 0.00 175.10 175.11 1qn0 s VAL 23 N 0.08 5.28 0.10 2.92 1.01 -1.26 0.18 120.40 128.70 1qn0 s VAL 23 Ca 0.08 0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.69 1qn0 s VAL 23 Cb -0.11 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1qn0 s VAL 23 CO -0.00 0.46 -0.16 0.12 0.00 0.00 0.00 175.10 175.52 1qn0 s PHE 24 N -0.05 1.41 0.01 5.22 5.36 -0.45 -4.94 117.98 124.54 1qn0 s PHE 24 Ca 0.18 -0.49 -0.00 0.00 -0.96 0.00 0.00 56.93 55.66 1qn0 s PHE 24 Cb -0.14 -0.76 -0.01 0.00 -0.34 0.00 0.00 43.02 41.77 1qn0 s PHE 24 CO 0.06 0.12 -0.00 1.21 -1.46 0.00 0.00 175.22 175.15 1qn0 s ASN 25 N -2.05 0.11 0.09 6.13 2.47 -1.26 -1.55 114.94 118.88 1qn0 s ASN 25 Ca 0.04 -0.24 0.14 0.00 0.42 0.00 0.00 52.86 53.21 1qn0 s ASN 25 Cb -0.08 0.07 -0.14 0.00 -1.45 0.00 0.00 41.25 39.65 1qn0 s ASN 25 CO 0.03 -0.16 0.99 0.45 -3.72 0.00 0.00 177.10 174.68 1qn0 h HIS 26 N 5.33 0.00 0.00 0.43 3.86 -1.88 -3.23 115.15 119.66 1qn0 h HIS 26 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1qn0 h HIS 26 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1qn0 h HIS 26 CO 0.54 0.75 0.00 -1.13 0.86 0.00 0.00 177.93 178.95 1qn0 n SER 27 N -3.08 0.00 -0.04 2.45 3.41 -1.26 -1.90 113.62 113.20 1qn0 n SER 27 Ca -0.07 -0.49 -0.21 0.00 -0.26 0.00 0.00 58.87 57.84 1qn0 n SER 27 Cb 0.89 -0.09 -0.13 0.00 -0.26 0.00 0.00 64.21 64.62 1qn0 n SER 27 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1qn0 n THR 28 N -1.09 1.69 -1.08 6.66 -1.04 -1.22 -4.18 114.28 114.03 1qn0 n THR 28 Ca 0.15 -0.57 -0.05 0.00 -2.04 0.00 0.00 64.05 61.54 1qn0 n THR 28 Cb 0.11 -1.70 0.29 0.00 -1.82 0.00 0.00 70.33 67.21 1qn0 n THR 28 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1qn0 n HIS 29 N -3.54 2.21 0.30 -1.42 8.25 -1.10 -4.49 115.22 115.42 1qn0 n HIS 29 Ca -0.36 -1.22 0.17 0.00 -0.26 0.00 0.00 57.72 56.05 1qn0 n HIS 29 Cb 1.00 -0.64 0.89 0.00 1.12 0.00 0.00 29.99 32.36 1qn0 n HIS 29 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1qn0 h LYS 30 N 2.43 0.00 -0.14 -0.41 2.10 -1.54 1.72 116.57 120.73 1qn0 h LYS 30 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1qn0 h LYS 30 Cb 2.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.54 1qn0 h LYS 30 CO 0.67 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.72 1qn0 n ASP 31 N -2.78 1.81 -4.39 7.07 5.68 -1.26 -4.81 116.55 117.86 1qn0 n ASP 31 Ca -0.02 -1.69 -0.33 0.00 -0.50 0.00 0.00 54.79 52.25 1qn0 n ASP 31 Cb 0.21 -0.09 -0.14 0.00 -1.14 0.00 0.00 41.12 39.97 1qn0 n ASP 31 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1qn0 s VAL 32 N -1.83 3.02 0.91 2.12 1.01 0.59 -5.10 120.40 121.12 1qn0 s VAL 32 Ca 0.34 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1qn0 s VAL 32 Cb 0.19 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.36 1qn0 s VAL 32 CO 0.29 0.54 0.50 0.29 0.00 0.00 0.00 175.10 176.72 1qn0 n LYS 33 N 3.19 -0.20 0.00 2.72 5.02 -1.26 -4.89 118.16 122.73 1qn0 n LYS 33 Ca -0.18 -0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 55.92 1qn0 n LYS 33 Cb 0.53 -1.91 -0.09 0.00 -0.02 0.00 0.00 35.03 33.53 1qn0 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qn0 n ASP 35 N -4.06 0.00 0.27 0.00 5.68 -1.26 -0.49 116.55 116.68 1qn0 n ASP 35 Ca -0.09 0.41 0.18 0.00 -0.50 0.00 0.00 54.79 54.79 1qn0 n ASP 35 Cb 0.73 -0.45 0.85 0.00 -1.14 0.00 0.00 41.12 41.11 1qn0 n ASP 35 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1qn0 h ASP 36 N 0.00 0.00 0.00 -1.12 1.82 -1.83 -3.34 116.42 111.95 1qn0 h ASP 36 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1qn0 h ASP 36 Cb 0.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1qn0 h ASP 36 CO 0.00 0.00 -0.46 0.00 -1.61 0.00 0.00 179.24 177.17 1qn0 n HIS 38 N -2.71 3.68 -1.44 0.00 8.25 0.36 -4.77 115.22 118.59 1qn0 n HIS 38 Ca 0.00 -2.38 -0.25 0.00 -0.26 0.00 0.00 57.72 54.82 1qn0 n HIS 38 Cb 0.23 -2.53 -0.07 0.00 1.12 0.00 0.00 29.99 28.74 1qn0 n HIS 38 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1qn0 n HIS 39 N 9.58 1.40 -4.06 4.41 -0.00 -1.26 -4.33 115.22 120.96 1qn0 n HIS 39 Ca 0.48 -1.94 -0.25 0.00 -0.00 0.00 0.00 57.72 56.01 1qn0 n HIS 39 Cb 0.44 -1.46 -0.05 0.00 -0.00 0.00 0.00 29.99 28.92 1qn0 n HIS 39 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1qn0 s GLN 40 N -1.16 2.27 0.47 -1.40 1.11 -1.26 -5.12 119.66 114.57 1qn0 s GLN 40 Ca 0.60 -1.91 -0.22 0.00 0.01 0.00 0.00 55.36 53.84 1qn0 s GLN 40 Cb 0.36 -2.01 -0.07 0.00 -1.01 0.00 0.00 33.01 30.27 1qn0 s GLN 40 CO -0.17 -0.27 1.14 -2.14 0.01 0.00 0.00 175.29 173.85 1qn0 s PRO 41 N -4.02 3.73 0.20 2.91 0.02 -1.26 -4.56 135.00 132.02 1qn0 s PRO 41 Ca 0.37 1.69 -0.16 0.00 0.02 0.00 0.00 61.00 62.91 1qn0 s PRO 41 Cb 0.01 -2.33 0.20 0.00 0.02 0.00 0.00 34.50 32.40 1qn0 s PRO 41 CO 0.21 -0.55 1.61 0.78 -0.33 0.00 0.00 177.00 178.71 1qn0 h GLY 42 N 1.92 0.22 -0.94 0.52 0.00 -1.98 1.65 103.07 104.46 1qn0 h GLY 42 Ca -0.49 0.31 0.18 0.00 0.00 0.00 0.00 47.33 47.33 1qn0 h GLY 42 CO 0.60 -0.24 -0.26 2.09 0.00 0.00 0.00 176.54 178.73 1qn0 n ASP 43 N -5.44 -0.38 -2.93 0.19 5.68 -1.26 -1.59 116.55 110.82 1qn0 n ASP 43 Ca 0.06 1.63 -0.20 0.00 -0.50 0.00 0.00 54.79 55.78 1qn0 n ASP 43 Cb 0.35 -0.47 -0.02 0.00 -1.14 0.00 0.00 41.12 39.84 1qn0 n ASP 43 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1qn0 n LYS 44 N -5.52 1.99 -0.20 0.11 3.00 0.33 -4.91 118.16 112.96 1qn0 n LYS 44 Ca 0.14 -3.94 0.01 0.00 -0.00 0.00 0.00 58.31 54.52 1qn0 n LYS 44 Cb 0.46 -1.85 0.11 0.00 0.00 0.00 0.00 35.03 33.75 1qn0 n LYS 44 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1qn0 h GLN 45 N 2.94 0.29 -4.32 1.64 4.15 0.33 -3.33 115.11 116.80 1qn0 h GLN 45 Ca 0.10 -0.02 -0.73 0.00 0.77 0.00 0.00 58.65 58.77 1qn0 h GLN 45 Cb 0.87 -0.06 -0.26 0.00 0.21 0.00 0.00 27.48 28.23 1qn0 h GLN 45 CO 0.64 0.19 -0.37 0.71 -1.93 0.00 0.00 178.83 178.07 1qn0 s TYR 46 N -6.10 3.31 0.31 3.99 2.02 -1.26 -4.00 117.35 115.61 1qn0 s TYR 46 Ca -0.13 -1.36 0.04 0.00 -0.37 0.00 0.00 57.07 55.25 1qn0 s TYR 46 Cb 0.18 -3.26 -0.02 0.00 -0.40 0.00 0.00 41.96 38.46 1qn0 s TYR 46 CO 0.74 -0.89 0.32 0.00 -1.57 0.00 0.00 175.55 174.15 1qn0 n ALA 47 N 5.06 0.34 -1.77 3.71 0.00 -1.25 -5.14 120.51 121.47 1qn0 n ALA 47 Ca -0.11 -1.69 -0.40 0.00 0.00 0.00 0.00 53.44 51.24 1qn0 n ALA 47 Cb 0.42 1.37 -0.03 0.00 0.00 0.00 0.00 19.45 21.21 1qn0 n ALA 47 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qn0 s GLY 48 N -3.09 2.98 0.15 0.00 0.00 -1.26 -4.93 107.32 101.18 1qn0 s GLY 48 Ca 0.33 1.05 0.06 0.00 0.00 0.00 0.00 44.72 46.16 1qn0 s GLY 48 CO 0.24 1.64 1.35 0.00 0.00 0.00 0.00 173.10 176.33 1qn0 n THR 50 N -3.50 1.86 -1.42 0.00 -2.24 -1.26 -1.61 114.28 106.11 1qn0 n THR 50 Ca -0.01 -0.94 -0.33 0.00 -2.27 0.00 0.00 64.05 60.50 1qn0 n THR 50 Cb 0.86 -0.38 0.08 0.00 -2.10 0.00 0.00 70.33 68.80 1qn0 n THR 50 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qn0 s THR 51 N -2.16 2.91 0.73 4.28 2.01 -1.13 -3.74 115.64 118.54 1qn0 s THR 51 Ca 0.36 0.38 -0.16 0.00 0.31 0.00 0.00 61.69 62.58 1qn0 s THR 51 Cb 0.28 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.95 1qn0 s THR 51 CO 0.10 -0.30 0.88 0.47 -0.69 0.00 0.00 174.62 175.07 1qn0 n ASP 52 N -3.00 0.10 -0.91 3.53 9.92 -1.26 -1.24 116.55 123.69 1qn0 n ASP 52 Ca 0.11 0.64 -0.11 0.00 -0.53 0.00 0.00 54.79 54.90 1qn0 n ASP 52 Cb 0.52 -1.37 -0.05 0.00 -0.64 0.00 0.00 41.12 39.58 1qn0 n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qn0 n GLY 53 N 1.19 1.05 0.00 0.44 0.00 -1.26 -4.82 105.19 101.79 1qn0 n GLY 53 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1qn0 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn0 n HIS 55 N 0.00 1.47 -1.67 0.00 8.25 -0.63 -4.63 115.22 118.01 1qn0 n HIS 55 Ca 0.00 -1.92 -0.41 0.00 -0.26 0.00 0.00 57.72 55.13 1qn0 n HIS 55 Cb 0.00 -1.24 -0.01 0.00 1.12 0.00 0.00 29.99 29.86 1qn0 n HIS 55 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1qn0 n ASN 56 N 0.79 6.08 -3.77 0.41 2.85 -1.21 -4.03 115.26 116.39 1qn0 n ASN 56 Ca 0.42 -2.80 -0.29 0.00 -0.11 0.00 0.00 54.58 51.80 1qn0 n ASN 56 Cb 0.59 -1.58 -0.16 0.00 1.24 0.00 0.00 39.78 39.87 1qn0 n ASN 56 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1qn0 s ILE 57 N 2.16 0.77 -1.12 -1.44 -1.09 -1.22 -5.02 121.20 114.24 1qn0 s ILE 57 Ca 0.55 -0.84 -0.07 0.00 -2.23 0.00 0.00 60.65 58.06 1qn0 s ILE 57 Cb 0.15 -1.29 0.28 0.00 -1.58 0.00 0.00 42.46 40.02 1qn0 s ILE 57 CO -0.07 -0.28 1.37 0.18 -1.23 0.00 0.00 174.94 174.91 1qn0 n LEU 58 N 4.94 6.04 -3.55 2.97 4.77 -1.26 -3.77 117.00 127.14 1qn0 n LEU 58 Ca -0.08 -5.06 -0.10 0.00 -0.03 0.00 0.00 56.01 50.74 1qn0 n LEU 58 Cb 0.46 -1.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.12 1qn0 n LEU 58 CO 0.13 1.48 0.73 1.51 -1.33 0.00 0.00 177.39 179.91 1qn0 s ASP 59 N -0.13 -0.38 -0.65 -1.43 -4.77 -1.26 -5.00 116.67 103.05 1qn0 s ASP 59 Ca 0.32 0.28 0.04 0.00 -3.30 0.00 0.00 52.55 49.89 1qn0 s ASP 59 Cb -0.01 0.34 0.35 0.00 -1.09 0.00 0.00 42.92 42.52 1qn0 s ASP 59 CO 0.02 -0.45 1.21 2.29 0.70 0.00 0.00 175.17 178.94 1qn0 n LYS 60 N 0.40 3.64 0.00 2.11 2.85 -1.26 -4.64 118.16 121.26 1qn0 n LYS 60 Ca -0.10 -4.67 0.00 0.00 -1.05 0.00 0.00 58.31 52.49 1qn0 n LYS 60 Cb 0.59 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.69 1qn0 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qn0 n ALA 61 N -0.28 0.00 -2.63 0.58 0.00 -1.26 -5.15 120.51 111.77 1qn0 n ALA 61 Ca 0.37 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.51 1qn0 n ALA 61 Cb 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 1qn0 n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qn0 s ASP 62 N 0.00 4.18 -0.50 0.00 2.15 -1.26 -5.11 116.67 116.13 1qn0 s ASP 62 Ca 0.00 -1.44 0.04 0.00 0.43 0.00 0.00 52.55 51.58 1qn0 s ASP 62 Cb 0.00 0.11 0.16 0.00 -0.30 0.00 0.00 42.92 42.90 1qn0 s ASP 62 CO 0.00 -0.73 0.37 -0.75 -0.17 0.00 0.00 175.17 173.89 1qn0 s LYS 63 N -3.89 1.38 -0.15 4.34 2.20 -1.26 -5.06 119.74 117.30 1qn0 s LYS 63 Ca 0.22 -2.41 -0.34 0.00 -0.36 0.00 0.00 55.97 53.08 1qn0 s LYS 63 Cb 0.04 -2.09 0.14 0.00 -1.51 0.00 0.00 37.83 34.41 1qn0 s LYS 63 CO 0.12 -1.33 1.28 -1.54 -0.36 0.00 0.00 175.35 173.53 1qn0 s SER 64 N -0.29 -0.08 -0.27 1.43 1.04 -1.26 -5.01 113.70 109.26 1qn0 s SER 64 Ca 0.28 -0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.67 1qn0 s SER 64 Cb -0.03 0.12 0.20 0.00 0.10 0.00 0.00 66.02 66.41 1qn0 s SER 64 CO -0.16 -0.20 1.94 0.55 0.98 0.00 0.00 173.24 176.35 1qn0 n VAL 65 N -0.22 2.60 -0.53 5.02 3.14 -1.26 -3.37 118.33 123.71 1qn0 n VAL 65 Ca -0.02 -1.44 0.00 0.00 -2.96 0.00 0.00 64.34 59.92 1qn0 n VAL 65 Cb 0.60 -1.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 1qn0 n VAL 65 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1qn0 n ASN 66 N 0.39 0.91 -4.73 6.55 4.13 -1.26 -4.82 115.26 116.42 1qn0 n ASN 66 Ca 0.26 -1.43 -0.41 0.00 1.68 0.00 0.00 54.58 54.68 1qn0 n ASN 66 Cb 0.62 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.82 1qn0 n ASN 66 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1qn0 s SER 67 N -0.43 7.29 -0.13 6.41 1.04 -1.22 -3.38 113.70 123.27 1qn0 s SER 67 Ca 0.00 2.02 0.13 0.00 0.48 0.00 0.00 55.95 58.58 1qn0 s SER 67 Cb 0.00 -2.60 0.60 0.00 0.10 0.00 0.00 66.02 64.12 1qn0 s SER 67 CO 0.00 -0.22 1.45 1.87 0.98 0.00 0.00 173.24 177.32 1qn0 n TRP 68 N 2.64 1.37 -0.09 5.02 -0.00 -1.25 -3.45 117.44 121.68 1qn0 n TRP 68 Ca 0.03 -0.51 0.00 0.00 -0.00 0.00 0.00 57.50 57.03 1qn0 n TRP 68 Cb 0.47 -0.30 0.00 0.00 -0.00 0.00 0.00 31.31 31.48 1qn0 n TRP 68 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 1qn0 n TYR 69 N 0.68 0.00 -0.07 5.87 4.19 -1.26 -4.63 117.16 121.94 1qn0 n TYR 69 Ca 0.21 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.30 1qn0 n TYR 69 Cb 0.84 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 40.61 1qn0 n TYR 69 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1qn0 n LYS 70 N -0.33 0.36 0.00 2.98 4.81 -1.23 -3.67 118.16 121.07 1qn0 n LYS 70 Ca 0.00 0.09 0.03 0.00 -0.87 0.00 0.00 58.31 57.56 1qn0 n LYS 70 Cb 0.02 -1.25 0.13 0.00 0.02 0.00 0.00 35.03 33.96 1qn0 n LYS 70 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1qn0 n VAL 71 N -3.06 1.50 -0.13 3.15 0.24 -1.22 0.18 118.33 118.98 1qn0 n VAL 71 Ca -0.27 0.38 -0.28 0.00 -2.04 0.00 0.00 64.34 62.13 1qn0 n VAL 71 Cb 0.76 -1.27 -0.09 0.00 -1.47 0.00 0.00 33.84 31.77 1qn0 n VAL 71 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1qn0 n VAL 72 N -1.47 1.47 -0.77 3.34 0.31 -1.26 -4.42 118.33 115.52 1qn0 n VAL 72 Ca 0.02 -0.36 -0.11 0.00 -0.01 0.00 0.00 64.34 63.87 1qn0 n VAL 72 Cb 0.07 -1.88 0.22 0.00 -0.91 0.00 0.00 33.84 31.34 1qn0 n VAL 72 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1qn0 n HIS 73 N -4.20 2.30 -2.82 3.52 8.25 -0.98 -3.52 115.22 117.76 1qn0 n HIS 73 Ca -0.52 -1.28 -0.42 0.00 -0.26 0.00 0.00 57.72 55.24 1qn0 n HIS 73 Cb 0.86 -0.70 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 1qn0 n HIS 73 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1qn0 s ASP 74 N -0.83 6.95 0.00 0.41 1.01 0.49 -4.89 116.67 119.81 1qn0 s ASP 74 Ca 0.47 1.18 0.23 0.00 0.71 0.00 0.00 52.55 55.14 1qn0 s ASP 74 Cb 0.38 -2.47 0.01 0.00 1.01 0.00 0.00 42.92 41.85 1qn0 s ASP 74 CO 0.11 -0.52 1.09 0.00 0.21 0.00 0.00 175.17 176.06 1qn0 n ALA 75 N 5.83 3.74 -2.07 5.23 0.00 -1.26 -4.19 120.51 127.78 1qn0 n ALA 75 Ca 0.07 -0.62 -0.31 0.00 0.00 0.00 0.00 53.44 52.58 1qn0 n ALA 75 Cb 0.48 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 1qn0 n ALA 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1qn0 s LYS 76 N -2.57 3.79 0.00 0.00 2.20 -1.26 -4.90 119.74 117.00 1qn0 s LYS 76 Ca 0.17 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1qn0 s LYS 76 Cb 0.18 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 34.21 1qn0 s LYS 76 CO 0.62 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 1qn0 n GLY 77 N -1.58 -1.92 0.00 5.54 0.00 -1.26 -4.81 105.19 101.15 1qn0 n GLY 77 Ca 0.04 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1qn0 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qn0 n GLY 78 N 3.01 0.17 0.33 -0.02 0.00 -1.26 -4.89 105.19 102.53 1qn0 n GLY 78 Ca 0.00 -1.73 0.16 0.00 0.00 0.00 0.00 46.02 44.45 1qn0 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn0 n ALA 79 N -0.71 0.55 -3.16 4.61 0.00 -1.26 -4.46 120.51 116.08 1qn0 n ALA 79 Ca 0.00 1.04 -0.12 0.00 0.00 0.00 0.00 53.44 54.36 1qn0 n ALA 79 Cb 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 1qn0 n ALA 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1qn0 s LYS 80 N -5.91 0.54 0.32 0.00 -2.85 -1.26 -5.16 119.74 105.42 1qn0 s LYS 80 Ca -0.12 -0.26 -0.05 0.00 -1.00 0.00 0.00 55.97 54.54 1qn0 s LYS 80 Cb 0.29 0.23 0.08 0.00 -2.06 0.00 0.00 37.83 36.38 1qn0 s LYS 80 CO 0.76 -0.14 0.18 -0.35 0.10 0.00 0.00 175.35 175.91 1qn0 n PRO 81 N 1.50 -2.28 -1.22 1.78 -0.04 -1.26 -4.98 135.00 128.50 1qn0 n PRO 81 Ca -0.21 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 1qn0 n PRO 81 Cb 0.56 -0.42 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 1qn0 n PRO 81 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1qn0 n THR 82 N -3.54 0.00 1.75 0.52 -2.24 -1.26 -4.96 114.28 104.54 1qn0 n THR 82 Ca 0.03 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.96 1qn0 n THR 82 Cb 0.13 0.00 0.87 0.00 -2.10 0.00 0.00 70.33 69.22 1qn0 n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qn0 n ILE 84 N -1.12 0.57 0.18 0.00 2.08 -1.25 -4.04 119.36 115.78 1qn0 n ILE 84 Ca 0.20 -0.19 -0.16 0.00 0.56 0.00 0.00 62.75 63.15 1qn0 n ILE 84 Cb 0.16 -1.09 -0.09 0.00 -0.75 0.00 0.00 39.64 37.87 1qn0 n ILE 84 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1qn0 h SER 85 N -0.12 -1.38 0.70 4.38 0.87 -1.72 1.61 113.55 117.88 1qn0 h SER 85 Ca -0.23 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 1qn0 h SER 85 Cb 1.31 0.49 0.01 0.00 -0.44 0.00 0.00 62.40 63.76 1qn0 h SER 85 CO -0.07 -0.57 -0.34 0.00 -0.53 0.00 0.00 176.83 175.33 1qn0 h HIS 87 N -1.03 0.43 -0.08 0.00 -0.00 -1.67 0.76 115.15 113.56 1qn0 h HIS 87 Ca -0.10 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 1qn0 h HIS 87 Cb 0.74 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 28.03 1qn0 h HIS 87 CO -0.01 -0.03 -0.00 0.87 -0.00 0.00 0.00 177.93 178.76 1qn0 h LYS 88 N 0.19 0.15 -0.95 2.45 1.79 0.31 -1.89 116.57 118.61 1qn0 h LYS 88 Ca 0.67 -0.05 0.09 0.00 -2.18 0.00 0.00 60.65 59.17 1qn0 h LYS 88 Cb 2.10 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 32.66 1qn0 h LYS 88 CO -0.24 0.41 0.60 0.22 -1.08 0.00 0.00 179.45 179.35 1qn0 h ASP 89 N -0.14 0.91 -0.91 0.86 1.82 0.16 0.94 116.42 120.06 1qn0 h ASP 89 Ca 0.02 0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.70 1qn0 h ASP 89 Cb 0.35 -0.16 -0.05 0.00 0.68 0.00 0.00 39.33 40.15 1qn0 h ASP 89 CO 0.00 0.55 0.60 0.11 -1.61 0.00 0.00 179.24 178.89 1qn0 h LYS 90 N 1.03 1.21 -0.85 0.28 1.79 -0.75 0.95 116.57 120.23 1qn0 h LYS 90 Ca 0.44 -0.08 -0.12 0.00 -2.18 0.00 0.00 60.65 58.71 1qn0 h LYS 90 Cb 0.29 -0.27 -0.07 0.00 -1.58 0.00 0.00 32.23 30.60 1qn0 h LYS 90 CO -0.21 0.80 0.15 0.00 -1.08 0.00 0.00 179.45 179.11 1qn0 n ALA 91 N -2.40 3.73 -1.73 3.86 0.00 0.19 -4.58 120.51 119.58 1qn0 n ALA 91 Ca 0.11 -1.37 -0.36 0.00 0.00 0.00 0.00 53.44 51.82 1qn0 n ALA 91 Cb 0.02 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1qn0 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qn0 n GLY 92 N 0.04 4.77 0.00 0.00 0.00 0.33 -4.14 105.19 106.19 1qn0 n GLY 92 Ca 0.24 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1qn0 n GLY 92 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qn0 n ASP 93 N 1.92 0.00 -4.69 1.61 5.75 -1.26 -5.06 116.55 114.83 1qn0 n ASP 93 Ca 0.62 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.98 1qn0 n ASP 93 Cb 0.34 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.39 1qn0 n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1qn0 s ASP 94 N 0.00 7.10 0.06 -1.12 -1.08 -1.26 -4.94 116.67 115.43 1qn0 s ASP 94 Ca 0.00 1.34 -0.16 0.00 -0.52 0.00 0.00 52.55 53.21 1qn0 s ASP 94 Cb 0.00 -2.49 -0.19 0.00 -1.46 0.00 0.00 42.92 38.77 1qn0 s ASP 94 CO 0.00 -0.35 1.22 0.50 0.52 0.00 0.00 175.17 177.06 1qn0 h LYS 95 N 7.10 0.61 0.00 4.34 3.64 -1.98 -2.99 116.57 127.30 1qn0 h LYS 95 Ca -0.33 -0.56 -0.04 0.00 -1.27 0.00 0.00 60.65 58.46 1qn0 h LYS 95 Cb 1.16 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1qn0 h LYS 95 CO 0.82 1.17 -0.17 1.49 -2.27 0.00 0.00 179.45 180.49 1qn0 h GLU 96 N 0.25 0.00 0.00 1.90 4.81 -1.96 -0.39 114.58 119.19 1qn0 h GLU 96 Ca -0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1qn0 h GLU 96 Cb 1.36 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.73 1qn0 h GLU 96 CO 0.14 0.17 -0.10 1.25 -0.73 0.00 0.00 179.01 179.75 1qn0 h LEU 97 N 0.00 0.00 -1.89 1.64 7.12 -1.91 -2.58 115.31 117.70 1qn0 h LEU 97 Ca -0.00 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 1qn0 h LEU 97 Cb 0.37 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.48 1qn0 h LEU 97 CO 0.02 0.10 0.03 1.17 -0.13 0.00 0.00 178.44 179.63 1qn0 n LYS 98 N -3.18 1.98 -2.65 1.25 4.81 -0.16 -3.60 118.16 116.62 1qn0 n LYS 98 Ca 0.01 -0.90 -0.09 0.00 -0.87 0.00 0.00 58.31 56.47 1qn0 n LYS 98 Cb 0.43 -1.65 0.03 0.00 0.02 0.00 0.00 35.03 33.86 1qn0 n LYS 98 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1qn0 n LYS 99 N 0.15 1.86 0.00 1.64 5.02 -0.97 -4.11 118.16 121.76 1qn0 n LYS 99 Ca 0.10 -3.58 0.00 0.00 -2.02 0.00 0.00 58.31 52.81 1qn0 n LYS 99 Cb 0.58 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1qn0 n LYS 99 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1qn0 n LYS 100 N -0.38 0.00 0.02 1.97 2.85 -1.24 -4.67 118.16 116.70 1qn0 n LYS 100 Ca 0.15 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.30 1qn0 n LYS 100 Cb 0.81 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 35.05 1qn0 n LYS 100 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1qn0 h LEU 101 N 0.00 0.12 -2.56 -5.58 3.38 -1.88 -1.75 115.31 107.04 1qn0 h LEU 101 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1qn0 h LEU 101 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1qn0 h LEU 101 CO 0.00 1.17 0.00 0.35 0.09 0.00 0.00 178.44 180.05 1qn0 n THR 102 N -3.24 0.78 -1.82 0.22 -2.24 -1.26 -4.86 114.28 101.86 1qn0 n THR 102 Ca -0.15 -0.89 -0.42 0.00 -2.27 0.00 0.00 64.05 60.32 1qn0 n THR 102 Cb 1.03 0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 1qn0 n THR 102 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qn0 s GLY 103 N -0.81 1.20 0.06 3.38 0.00 -1.26 -4.88 107.32 105.01 1qn0 s GLY 103 Ca 0.03 0.93 -0.34 0.00 0.00 0.00 0.00 44.72 45.34 1qn0 s GLY 103 CO 0.02 3.36 1.59 0.00 0.00 0.00 0.00 173.10 178.08 1qn0 s LYS 105 N -5.98 2.10 -0.39 0.00 2.20 -1.26 -4.67 119.74 111.74 1qn0 s LYS 105 Ca -0.18 -0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 54.54 1qn0 s LYS 105 Cb 0.03 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.40 1qn0 s LYS 105 CO 0.61 0.48 0.34 0.41 -0.36 0.00 0.00 175.35 176.83 1qn0 n GLY 106 N 2.62 0.45 3.82 5.54 0.00 -0.50 -5.03 105.19 112.08 1qn0 n GLY 106 Ca -0.16 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 1qn0 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qn0 s SER 107 N -3.16 4.30 0.04 1.61 1.04 -0.62 -4.79 113.70 112.12 1qn0 s SER 107 Ca 0.14 -1.56 0.19 0.00 0.48 0.00 0.00 55.95 55.20 1qn0 s SER 107 Cb -0.06 0.58 0.80 0.00 0.10 0.00 0.00 66.02 67.43 1qn0 s SER 107 CO 0.22 -0.97 1.60 0.00 0.98 0.00 0.00 173.24 175.07 1qn0 n ALA 108 N -1.45 1.82 -0.12 5.32 0.00 -0.66 -2.41 120.51 123.02 1qn0 n ALA 108 Ca -0.15 -0.04 -0.26 0.00 0.00 0.00 0.00 53.44 52.99 1qn0 n ALA 108 Cb 0.66 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.69 1qn0 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qn0 s HIS 110 N -2.48 3.47 -1.22 0.00 4.02 -1.15 -4.33 115.29 113.61 1qn0 s HIS 110 Ca -0.35 -3.22 -0.08 0.00 1.02 0.00 0.00 55.06 52.43 1qn0 s HIS 110 Cb 0.11 -2.84 0.21 0.00 -1.02 0.00 0.00 32.58 29.05 1qn0 s HIS 110 CO 0.55 -0.65 1.73 -0.35 1.02 0.00 0.00 174.74 177.04 1qn0 n PRO 111 N 2.47 3.86 0.00 8.40 -0.04 -1.01 -1.41 135.00 147.27 1qn0 n PRO 111 Ca 0.14 -3.86 0.00 0.00 -0.04 0.00 0.00 63.50 59.74 1qn0 n PRO 111 Cb 0.34 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 1qn0 n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89