#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 0.00 -4.49 -1.34 2.03 -1.26 -5.11 116.55 106.39 1qn0 n ASP 2 Ca 0.00 0.00 -0.47 0.00 0.52 0.00 0.00 54.79 54.84 1qn0 n ASP 2 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1qn0 n ASP 2 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1qn0 n VAL 3 N 0.00 0.19 -0.77 5.18 3.14 -1.26 -4.88 118.33 119.93 1qn0 n VAL 3 Ca 0.00 -0.34 -0.33 0.00 -2.96 0.00 0.00 64.34 60.71 1qn0 n VAL 3 Cb 0.00 -1.89 0.13 0.00 -1.06 0.00 0.00 33.84 31.02 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 8.40 -0.65 -2.99 1.45 -0.02 -1.26 -4.96 135.00 134.98 1qn0 n PRO 4 Ca 0.39 -0.16 -0.32 0.00 -2.02 0.00 0.00 63.50 61.40 1qn0 n PRO 4 Cb 0.29 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.33 3.26 0.91 3.55 0.00 -1.26 -4.58 121.76 121.31 1qn0 s ALA 5 Ca 0.56 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 52.50 1qn0 s ALA 5 Cb -0.18 -2.85 0.14 0.00 0.00 0.00 0.00 23.12 20.23 1qn0 s ALA 5 CO 0.68 0.21 0.31 -0.40 0.00 0.00 0.00 175.76 176.56 1qn0 n ASP 6 N -0.64 -2.48 0.00 0.00 5.75 -1.26 -3.90 116.55 114.02 1qn0 n ASP 6 Ca 0.04 -0.32 0.00 0.00 -0.01 0.00 0.00 54.79 54.50 1qn0 n ASP 6 Cb 0.53 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 -1.46 0.95 3.77 6.12 0.00 -1.26 -4.99 105.19 108.33 1qn0 n GLY 7 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.82 3.63 -0.04 4.61 0.00 -1.16 -4.89 121.76 120.09 1qn0 s ALA 8 Ca 0.00 1.54 0.06 0.00 0.00 0.00 0.00 51.96 53.56 1qn0 s ALA 8 Cb 0.00 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 1qn0 s ALA 8 CO 0.00 -0.99 -0.24 0.15 0.00 0.00 0.00 175.76 174.68 1qn0 s LYS 9 N -1.48 2.29 -0.13 0.00 1.02 -1.26 -0.88 119.74 119.30 1qn0 s LYS 9 Ca 0.56 -0.86 -0.02 0.00 0.02 0.00 0.00 55.97 55.68 1qn0 s LYS 9 Cb -0.46 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 1qn0 s LYS 9 CO 0.57 0.40 -0.08 0.42 -0.92 0.00 0.00 175.35 175.74 1qn0 s ILE 10 N -0.25 3.54 -0.36 2.17 1.01 0.15 -4.97 121.20 122.50 1qn0 s ILE 10 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1qn0 s ILE 10 Cb -0.12 -2.52 0.19 0.00 0.01 0.00 0.00 42.46 40.02 1qn0 s ILE 10 CO 0.02 0.52 0.76 -0.62 0.00 0.00 0.00 174.94 175.62 1qn0 s ASP 11 N 0.22 -1.17 -0.03 3.58 2.15 -1.26 -1.98 116.67 118.17 1qn0 s ASP 11 Ca -0.05 -0.38 0.04 0.00 0.43 0.00 0.00 52.55 52.59 1qn0 s ASP 11 Cb -0.14 1.56 -0.06 0.00 -0.30 0.00 0.00 42.92 43.97 1qn0 s ASP 11 CO 0.04 -0.15 0.04 0.49 -0.17 0.00 0.00 175.17 175.41 1qn0 n PHE 12 N 4.50 0.00 -3.19 -5.34 3.72 -1.26 -4.90 117.46 110.98 1qn0 n PHE 12 Ca 0.08 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.04 1qn0 n PHE 12 Cb 0.58 -0.19 -0.05 0.00 -0.94 0.00 0.00 39.48 38.88 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 -2.17 4.97 -0.71 4.37 1.01 -1.26 -4.99 121.20 122.42 1qn0 s ILE 13 Ca -0.02 -1.10 -0.27 0.00 0.00 0.00 0.00 60.65 59.26 1qn0 s ILE 13 Cb 0.02 -4.40 0.01 0.00 0.01 0.00 0.00 42.46 38.10 1qn0 s ILE 13 CO 0.19 -0.98 1.49 0.00 0.00 0.00 0.00 174.94 175.63 1qn0 s ALA 14 N 2.30 2.54 0.01 9.38 0.00 -1.26 -4.71 121.76 130.02 1qn0 s ALA 14 Ca 0.09 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 1qn0 s ALA 14 Cb -0.25 -4.29 0.00 0.00 0.00 0.00 0.00 23.12 18.58 1qn0 s ALA 14 CO 0.06 -3.52 0.04 0.41 0.00 0.00 0.00 175.76 172.74 1qn0 n GLY 15 N 5.54 1.48 0.21 0.00 0.00 -1.26 -5.09 105.19 106.07 1qn0 n GLY 15 Ca 0.10 -0.96 0.03 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.03 -1.64 0.33 -0.02 0.00 -1.26 -2.81 105.19 99.77 1qn0 n GLY 16 Ca -0.00 -1.47 0.07 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.99 -0.08 0.09 1.61 -0.58 -1.26 -4.27 120.64 114.16 1qn0 n GLU 17 Ca -0.00 1.43 0.00 0.00 -0.42 0.00 0.00 57.16 58.17 1qn0 n GLU 17 Cb 0.10 -2.16 0.00 0.00 -0.57 0.00 0.00 31.44 28.80 1qn0 n GLU 17 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1qn0 n LYS 18 N -5.48 0.00 0.00 3.49 2.85 -1.26 -5.12 118.16 112.63 1qn0 n LYS 18 Ca 0.16 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.42 1qn0 n LYS 18 Cb 0.50 -0.12 0.00 0.00 -0.65 0.00 0.00 35.03 34.76 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 -3.26 0.00 -4.61 -5.58 0.23 -1.12 -4.53 115.26 96.39 1qn0 n ASN 19 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.62 1qn0 n ASN 19 Cb 0.03 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.71 1qn0 n ASN 19 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1qn0 s LEU 20 N 0.00 3.68 -0.32 -4.53 1.43 -1.25 -4.98 118.68 112.71 1qn0 s LEU 20 Ca 0.00 0.97 -0.07 0.00 -1.03 0.00 0.00 54.13 54.01 1qn0 s LEU 20 Cb 0.00 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.71 1qn0 s LEU 20 CO 0.00 -1.32 0.10 -0.89 0.23 0.00 0.00 176.35 174.46 1qn0 s THR 21 N 5.12 3.89 -0.13 5.49 2.01 -1.26 -4.72 115.64 126.04 1qn0 s THR 21 Ca 0.60 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 61.52 1qn0 s THR 21 Cb -0.15 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1qn0 s THR 21 CO 0.30 -0.07 0.39 -0.69 -0.69 0.00 0.00 174.62 173.86 1qn0 s VAL 22 N 1.45 5.23 -0.14 3.82 1.01 -0.84 -4.86 120.40 126.07 1qn0 s VAL 22 Ca 0.00 0.76 -0.15 0.00 0.00 0.00 0.00 61.98 62.59 1qn0 s VAL 22 Cb -0.18 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1qn0 s VAL 22 CO 0.03 0.38 0.36 -0.69 0.00 0.00 0.00 175.10 175.17 1qn0 s VAL 23 N 0.41 5.26 0.02 2.92 1.01 -1.26 0.33 120.40 129.09 1qn0 s VAL 23 Ca 0.21 0.69 0.06 0.00 0.00 0.00 0.00 61.98 62.95 1qn0 s VAL 23 Cb -0.14 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1qn0 s VAL 23 CO 0.08 0.38 -0.19 0.12 0.00 0.00 0.00 175.10 175.49 1qn0 s PHE 24 N 0.44 1.65 -0.09 5.22 5.36 -0.06 -4.94 117.98 125.57 1qn0 s PHE 24 Ca 0.20 -0.35 0.02 0.00 -0.96 0.00 0.00 56.93 55.84 1qn0 s PHE 24 Cb -0.14 -1.01 0.02 0.00 -0.34 0.00 0.00 43.02 41.55 1qn0 s PHE 24 CO 0.06 0.05 -0.12 -0.80 -1.46 0.00 0.00 175.22 172.94 1qn0 s ASN 25 N -0.94 2.06 0.47 6.13 -0.87 -1.26 -2.97 114.94 117.56 1qn0 s ASN 25 Ca 0.06 -0.34 0.29 0.00 -1.57 0.00 0.00 52.86 51.30 1qn0 s ASN 25 Cb -0.08 -0.91 0.93 0.00 -0.02 0.00 0.00 41.25 41.17 1qn0 s ASN 25 CO 0.01 0.00 1.82 0.45 -2.57 0.00 0.00 177.10 176.81 1qn0 h HIS 26 N 7.30 0.00 -0.24 2.20 3.86 -1.88 -2.50 115.15 123.89 1qn0 h HIS 26 Ca -0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1qn0 h HIS 26 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1qn0 h HIS 26 CO 0.48 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 178.14 1qn0 n SER 27 N -2.97 1.92 -0.06 2.45 3.41 -1.26 -3.15 113.62 113.95 1qn0 n SER 27 Ca 0.02 -2.13 -0.06 0.00 -0.26 0.00 0.00 58.87 56.43 1qn0 n SER 27 Cb 0.39 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 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 0.24 0.71 -1.04 6.66 -1.04 -0.94 -4.52 114.28 114.35 1qn0 n THR 28 Ca 0.09 -0.37 0.03 0.00 -2.04 0.00 0.00 64.05 61.75 1qn0 n THR 28 Cb 0.37 -0.82 0.30 0.00 -1.82 0.00 0.00 70.33 68.37 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 -2.56 1.70 0.31 -1.42 8.25 -1.23 -4.51 115.22 115.76 1qn0 n HIS 29 Ca -0.19 -1.01 0.17 0.00 -0.26 0.00 0.00 57.72 56.43 1qn0 n HIS 29 Cb 0.80 -0.50 0.93 0.00 1.12 0.00 0.00 29.99 32.34 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 2.52 0.00 -0.01 -0.41 5.09 -1.78 1.57 116.57 123.55 1qn0 h LYS 30 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.84 1qn0 h LYS 30 Cb 1.88 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.21 1qn0 h LYS 30 CO 0.47 0.00 -0.05 -0.40 -2.09 0.00 0.00 179.45 177.37 1qn0 n ASP 31 N -2.83 0.69 -4.43 7.07 5.75 -1.26 -4.76 116.55 116.77 1qn0 n ASP 31 Ca -0.02 -0.99 -0.33 0.00 -0.01 0.00 0.00 54.79 53.44 1qn0 n ASP 31 Cb 0.21 -0.02 -0.14 0.00 -1.03 0.00 0.00 41.12 40.14 1qn0 n ASP 31 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1qn0 s VAL 32 N -2.20 3.07 0.97 2.12 1.01 0.53 -5.10 120.40 120.80 1qn0 s VAL 32 Ca 0.37 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 1qn0 s VAL 32 Cb 0.21 -2.25 0.10 0.00 0.00 0.00 0.00 36.38 34.44 1qn0 s VAL 32 CO 0.41 0.56 0.67 0.29 0.00 0.00 0.00 175.10 177.02 1qn0 n LYS 33 N 2.92 -0.63 0.02 2.72 5.02 -1.26 -4.90 118.16 122.05 1qn0 n LYS 33 Ca -0.18 -0.14 -0.19 0.00 -2.02 0.00 0.00 58.31 55.79 1qn0 n LYS 33 Cb 0.52 -2.04 -0.10 0.00 -0.02 0.00 0.00 35.03 33.39 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 -4.01 0.00 0.28 0.00 5.68 -1.26 -0.52 116.55 116.71 1qn0 n ASP 35 Ca -0.10 0.38 0.19 0.00 -0.50 0.00 0.00 54.79 54.76 1qn0 n ASP 35 Cb 0.78 -0.43 0.89 0.00 -1.14 0.00 0.00 41.12 41.22 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 -1.84 -3.34 116.42 111.94 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 0.15 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1qn0 h ASP 36 CO 0.00 0.00 -0.43 0.00 -1.61 0.00 0.00 179.24 177.20 1qn0 n HIS 38 N -2.67 2.40 -1.21 0.00 8.25 0.32 -4.72 115.22 117.59 1qn0 n HIS 38 Ca 0.00 -2.16 -0.19 0.00 -0.26 0.00 0.00 57.72 55.12 1qn0 n HIS 38 Cb 0.22 -1.98 -0.11 0.00 1.12 0.00 0.00 29.99 29.24 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 7.18 0.79 -4.34 4.41 -0.00 -1.26 -4.43 115.22 117.58 1qn0 n HIS 39 Ca 0.50 -1.70 -0.34 0.00 -0.00 0.00 0.00 57.72 56.18 1qn0 n HIS 39 Cb 0.40 -1.44 -0.12 0.00 -0.00 0.00 0.00 29.99 28.83 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 -0.38 3.72 0.41 -1.40 1.11 -1.25 -5.11 119.66 116.76 1qn0 s GLN 40 Ca 0.60 -0.49 -0.10 0.00 0.01 0.00 0.00 55.36 55.38 1qn0 s GLN 40 Cb 0.34 -2.96 -0.06 0.00 -1.01 0.00 0.00 33.01 29.31 1qn0 s GLN 40 CO -0.10 0.25 0.77 -1.25 0.01 0.00 0.00 175.29 174.97 1qn0 s PRO 41 N 0.35 3.76 0.00 2.91 0.04 -1.26 -3.96 135.00 136.85 1qn0 s PRO 41 Ca -0.03 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1qn0 s PRO 41 Cb -0.14 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1qn0 s PRO 41 CO 0.02 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1qn0 n GLY 42 N -1.34 -1.72 0.54 0.56 0.00 -1.26 -4.24 105.19 97.73 1qn0 n GLY 42 Ca 0.02 -1.54 0.33 0.00 0.00 0.00 0.00 46.02 44.84 1qn0 n GLY 42 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1qn0 h ASP 43 N 0.00 0.00 -0.48 1.61 1.82 -2.05 0.23 116.42 117.55 1qn0 h ASP 43 Ca 0.00 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 56.32 1qn0 h ASP 43 Cb 0.00 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 39.89 1qn0 h ASP 43 CO 0.00 0.00 0.01 1.17 -1.61 0.00 0.00 179.24 178.81 1qn0 n LYS 44 N -3.68 2.11 0.20 0.28 4.81 -1.26 -4.34 118.16 116.27 1qn0 n LYS 44 Ca 0.25 -1.56 0.14 0.00 -0.87 0.00 0.00 58.31 56.27 1qn0 n LYS 44 Cb 1.39 -1.99 0.41 0.00 0.02 0.00 0.00 35.03 34.87 1qn0 n LYS 44 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1qn0 h GLN 45 N 2.81 0.00 -2.24 1.64 4.15 -0.66 -3.32 115.11 117.49 1qn0 h GLN 45 Ca 0.27 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 59.09 1qn0 h GLN 45 Cb 1.12 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 28.39 1qn0 h GLN 45 CO 0.53 0.00 -0.54 0.66 -1.93 0.00 0.00 178.83 177.55 1qn0 n TYR 46 N -2.78 3.71 -3.92 3.99 4.02 -1.26 -3.84 117.16 117.08 1qn0 n TYR 46 Ca 0.03 -4.05 -0.18 0.00 -0.01 0.00 0.00 57.90 53.69 1qn0 n TYR 46 Cb 0.40 -0.57 -0.01 0.00 -0.02 0.00 0.00 39.34 39.14 1qn0 n TYR 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1qn0 n ALA 47 N 0.58 0.48 -1.79 -0.72 0.00 -1.25 -5.11 120.51 112.70 1qn0 n ALA 47 Ca 0.30 -1.43 -0.35 0.00 0.00 0.00 0.00 53.44 51.97 1qn0 n ALA 47 Cb 0.40 0.63 -0.03 0.00 0.00 0.00 0.00 19.45 20.46 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 -3.16 2.57 0.12 0.00 0.00 -1.26 -4.95 107.32 100.64 1qn0 s GLY 48 Ca 0.15 0.68 0.06 0.00 0.00 0.00 0.00 44.72 45.61 1qn0 s GLY 48 CO 0.10 1.02 1.28 0.00 0.00 0.00 0.00 173.10 175.50 1qn0 n THR 50 N -3.38 1.47 -1.64 0.00 -2.24 -1.26 -1.48 114.28 105.76 1qn0 n THR 50 Ca -0.01 -0.73 -0.32 0.00 -2.27 0.00 0.00 64.05 60.72 1qn0 n THR 50 Cb 0.94 -0.44 0.06 0.00 -2.10 0.00 0.00 70.33 68.78 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 -1.84 3.30 0.76 4.28 2.01 -1.17 -4.00 115.64 118.99 1qn0 s THR 51 Ca 0.27 0.55 -0.15 0.00 0.31 0.00 0.00 61.69 62.67 1qn0 s THR 51 Cb 0.21 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.67 1qn0 s THR 51 CO 0.07 -0.43 0.95 0.47 -0.69 0.00 0.00 174.62 175.00 1qn0 n ASP 52 N -2.69 0.31 -1.49 3.53 8.00 -1.26 -1.55 116.55 121.39 1qn0 n ASP 52 Ca 0.10 0.62 -0.17 0.00 0.71 0.00 0.00 54.79 56.04 1qn0 n ASP 52 Cb 0.52 -1.40 -0.07 0.00 -0.02 0.00 0.00 41.12 40.15 1qn0 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qn0 n GLY 53 N 1.02 1.62 0.00 0.44 0.00 -1.26 -4.81 105.19 102.20 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 2.20 -1.89 0.00 8.25 -0.55 -4.56 115.22 118.67 1qn0 n HIS 55 Ca 0.00 -2.16 -0.41 0.00 -0.26 0.00 0.00 57.72 54.89 1qn0 n HIS 55 Cb 0.00 -1.29 -0.01 0.00 1.12 0.00 0.00 29.99 29.82 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 0.20 6.11 -3.82 0.41 2.85 -1.21 -4.00 115.26 115.79 1qn0 n ASN 56 Ca 0.50 -2.94 -0.25 0.00 -0.11 0.00 0.00 54.58 51.79 1qn0 n ASN 56 Cb 0.45 -1.52 -0.17 0.00 1.24 0.00 0.00 39.78 39.78 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 1.18 0.65 -0.90 -1.44 -1.09 -1.22 -4.97 121.20 113.41 1qn0 s ILE 57 Ca 0.51 -0.11 0.10 0.00 -2.23 0.00 0.00 60.65 58.92 1qn0 s ILE 57 Cb 0.14 -0.78 0.25 0.00 -1.58 0.00 0.00 42.46 40.49 1qn0 s ILE 57 CO -0.05 0.26 1.17 0.18 -1.23 0.00 0.00 174.94 175.27 1qn0 n LEU 58 N 5.06 2.70 -3.98 2.97 4.77 -1.26 -3.84 117.00 123.41 1qn0 n LEU 58 Ca -0.09 -1.86 -0.43 0.00 -0.03 0.00 0.00 56.01 53.60 1qn0 n LEU 58 Cb 0.50 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1qn0 n LEU 58 CO 0.13 0.66 1.31 -0.90 -1.33 0.00 0.00 177.39 177.26 1qn0 n ASP 59 N 0.44 6.13 -4.07 -1.43 5.68 -1.26 -4.87 116.55 117.18 1qn0 n ASP 59 Ca 0.10 -3.34 -0.37 0.00 -0.50 0.00 0.00 54.79 50.67 1qn0 n ASP 59 Cb 0.39 -1.32 0.01 0.00 -1.14 0.00 0.00 41.12 39.06 1qn0 n ASP 59 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1qn0 n LYS 60 N 1.90 0.00 -2.96 0.11 0.00 -1.26 -2.85 118.16 113.10 1qn0 n LYS 60 Ca 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.48 1qn0 n LYS 60 Cb 0.34 -0.96 0.05 0.00 0.00 0.00 0.00 35.03 34.46 1qn0 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qn0 n ALA 61 N -1.53 -0.98 -2.17 3.14 0.00 -1.26 -5.04 120.51 112.68 1qn0 n ALA 61 Ca 0.07 0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.37 1qn0 n ALA 61 Cb 0.46 -2.38 0.03 0.00 0.00 0.00 0.00 19.45 17.56 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 -3.52 4.96 -0.56 0.00 2.15 -1.13 -5.09 116.67 113.47 1qn0 s ASP 62 Ca 0.15 -0.97 0.04 0.00 0.43 0.00 0.00 52.55 52.20 1qn0 s ASP 62 Cb -0.06 0.28 0.15 0.00 -0.30 0.00 0.00 42.92 42.99 1qn0 s ASP 62 CO 0.42 -1.22 0.36 -0.75 -0.17 0.00 0.00 175.17 173.81 1qn0 s LYS 63 N -4.50 1.86 -0.18 4.34 2.36 -1.26 -5.03 119.74 117.33 1qn0 s LYS 63 Ca 0.52 -2.70 -0.35 0.00 -2.55 0.00 0.00 55.97 50.88 1qn0 s LYS 63 Cb -0.05 -2.86 0.14 0.00 -1.05 0.00 0.00 37.83 34.01 1qn0 s LYS 63 CO 0.32 -1.23 1.25 -1.12 1.55 0.00 0.00 175.35 176.12 1qn0 s SER 64 N -0.57 -0.11 -0.01 1.43 0.01 -1.26 -4.99 113.70 108.20 1qn0 s SER 64 Ca 0.23 -0.02 0.06 0.00 1.31 0.00 0.00 55.95 57.53 1qn0 s SER 64 Cb -0.13 0.13 0.19 0.00 0.21 0.00 0.00 66.02 66.42 1qn0 s SER 64 CO -0.09 -0.21 1.10 0.55 0.41 0.00 0.00 173.24 174.99 1qn0 n VAL 65 N -0.14 0.37 -0.18 3.43 3.14 -1.26 -3.03 118.33 120.67 1qn0 n VAL 65 Ca -0.00 -0.30 0.08 0.00 -2.96 0.00 0.00 64.34 61.16 1qn0 n VAL 65 Cb 0.59 0.03 0.20 0.00 -1.06 0.00 0.00 33.84 33.60 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 0.12 3.24 -4.74 6.55 4.13 -1.26 -4.83 115.26 118.47 1qn0 n ASN 66 Ca 0.07 -1.97 -0.41 0.00 1.68 0.00 0.00 54.58 53.95 1qn0 n ASN 66 Cb 0.24 -0.30 -0.04 0.00 -1.54 0.00 0.00 39.78 38.14 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 -1.02 7.26 -0.08 6.41 1.04 -1.17 -3.37 113.70 122.77 1qn0 s SER 67 Ca 0.32 2.08 0.15 0.00 0.48 0.00 0.00 55.95 58.98 1qn0 s SER 67 Cb 0.17 -2.60 0.57 0.00 0.10 0.00 0.00 66.02 64.26 1qn0 s SER 67 CO 0.22 -0.23 1.45 1.87 0.98 0.00 0.00 173.24 177.53 1qn0 n TRP 68 N 2.46 1.15 0.01 5.02 -0.00 -1.25 -3.58 117.44 121.24 1qn0 n TRP 68 Ca 0.03 -0.47 0.00 0.00 -0.00 0.00 0.00 57.50 57.06 1qn0 n TRP 68 Cb 0.46 -0.18 -0.00 0.00 -0.00 0.00 0.00 31.31 31.59 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 0.90 0.00 -0.12 5.87 4.19 -1.26 -4.57 117.16 122.17 1qn0 n TYR 69 Ca 0.20 0.00 -0.24 0.00 3.31 0.00 0.00 57.90 61.18 1qn0 n TYR 69 Cb 0.71 0.00 -0.11 0.00 0.49 0.00 0.00 39.34 40.43 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 -0.99 0.63 0.00 2.98 4.81 -1.24 -2.68 118.16 121.67 1qn0 n LYS 70 Ca 0.00 0.24 0.02 0.00 -0.87 0.00 0.00 58.31 57.70 1qn0 n LYS 70 Cb 0.00 -1.54 0.10 0.00 0.02 0.00 0.00 35.03 33.61 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 -3.79 1.51 -0.10 3.15 0.24 -1.23 0.20 118.33 118.31 1qn0 n VAL 71 Ca -0.48 0.38 -0.15 0.00 -2.04 0.00 0.00 64.34 62.05 1qn0 n VAL 71 Cb 0.93 -1.30 -0.09 0.00 -1.47 0.00 0.00 33.84 31.91 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 -1.44 1.10 -1.45 3.34 0.31 -1.26 -4.35 118.33 114.57 1qn0 n VAL 72 Ca 0.01 -0.39 -0.21 0.00 -0.01 0.00 0.00 64.34 63.74 1qn0 n VAL 72 Cb 0.05 -1.30 0.13 0.00 -0.91 0.00 0.00 33.84 31.81 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 -3.24 2.45 -3.56 3.52 8.25 -0.71 -4.00 115.22 117.93 1qn0 n HIS 73 Ca -0.35 -2.17 -0.37 0.00 -0.26 0.00 0.00 57.72 54.58 1qn0 n HIS 73 Cb 0.84 -0.86 -0.08 0.00 1.12 0.00 0.00 29.99 31.02 1qn0 n HIS 73 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1qn0 s ASP 74 N -2.20 6.33 -0.26 0.41 -1.08 0.54 -4.87 116.67 115.54 1qn0 s ASP 74 Ca 0.54 0.37 0.11 0.00 -0.52 0.00 0.00 52.55 53.06 1qn0 s ASP 74 Cb 0.46 -2.16 0.52 0.00 -1.46 0.00 0.00 42.92 40.28 1qn0 s ASP 74 CO 0.03 0.07 1.47 0.00 0.52 0.00 0.00 175.17 177.25 1qn0 n ALA 75 N 3.93 3.89 -2.45 3.66 0.00 -1.26 -4.26 120.51 124.01 1qn0 n ALA 75 Ca -0.12 -2.83 -0.27 0.00 0.00 0.00 0.00 53.44 50.21 1qn0 n ALA 75 Cb 0.52 -0.76 -0.11 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 -3.10 1.63 0.15 0.00 2.20 -1.26 -5.01 119.74 114.35 1qn0 s LYS 76 Ca 0.44 -1.41 0.01 0.00 -0.36 0.00 0.00 55.97 54.65 1qn0 s LYS 76 Cb 0.39 -1.94 0.01 0.00 -1.51 0.00 0.00 37.83 34.77 1qn0 s LYS 76 CO 0.04 0.42 0.06 0.41 -0.36 0.00 0.00 175.35 175.92 1qn0 n GLY 77 N 0.39 3.51 0.00 5.54 0.00 -1.26 -4.86 105.19 108.51 1qn0 n GLY 77 Ca -0.13 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.65 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 3.15 0.93 0.00 -0.02 0.00 -1.26 -4.93 105.19 103.07 1qn0 n GLY 78 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.00 -3.46 4.61 0.00 -1.26 -5.13 120.51 115.27 1qn0 n ALA 79 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1qn0 n ALA 79 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 1.06 0.00 0.00 -2.85 -1.26 -5.18 119.74 111.51 1qn0 s LYS 80 Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 55.97 54.59 1qn0 s LYS 80 Cb 0.00 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 1qn0 s LYS 80 CO 0.00 -0.46 0.00 -0.35 0.10 0.00 0.00 175.35 174.64 1qn0 n PRO 81 N -0.30 0.02 -1.31 1.78 -0.04 -1.26 -4.71 135.00 129.19 1qn0 n PRO 81 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1qn0 n PRO 81 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 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 -1.97 0.00 1.35 0.52 -2.24 -1.26 -4.95 114.28 105.73 1qn0 n THR 82 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1qn0 n THR 82 Cb 0.00 0.00 0.70 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.24 0.64 0.15 0.00 2.08 -1.26 -4.03 119.36 115.70 1qn0 n ILE 84 Ca 0.14 -0.21 -0.13 0.00 0.56 0.00 0.00 62.75 63.11 1qn0 n ILE 84 Cb 0.19 -1.17 -0.08 0.00 -0.75 0.00 0.00 39.64 37.84 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 -0.16 -1.15 0.64 4.38 0.87 -1.73 1.67 113.55 118.07 1qn0 h SER 85 Ca -0.27 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 1qn0 h SER 85 Cb 1.34 0.41 0.01 0.00 -0.44 0.00 0.00 62.40 63.71 1qn0 h SER 85 CO -0.09 -0.47 -0.31 0.00 -0.53 0.00 0.00 176.83 175.44 1qn0 h HIS 87 N -0.87 0.83 -0.37 0.00 -0.00 -1.66 0.83 115.15 113.90 1qn0 h HIS 87 Ca -0.09 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1qn0 h HIS 87 Cb 0.66 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.83 1qn0 h HIS 87 CO -0.03 -0.06 0.25 0.87 -0.00 0.00 0.00 177.93 178.96 1qn0 h LYS 88 N 0.38 0.49 -0.93 2.45 1.57 0.33 -0.59 116.57 120.27 1qn0 h LYS 88 Ca 0.69 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.51 1qn0 h LYS 88 Cb 1.64 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.77 1qn0 h LYS 88 CO -0.47 0.33 0.59 0.22 -0.57 0.00 0.00 179.45 179.55 1qn0 h ASP 89 N 0.51 0.92 -0.88 0.86 1.82 0.13 0.19 116.42 119.98 1qn0 h ASP 89 Ca 0.14 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 1qn0 h ASP 89 Cb -0.05 -0.18 -0.04 0.00 0.68 0.00 0.00 39.33 39.74 1qn0 h ASP 89 CO -0.03 0.58 0.45 0.11 -1.61 0.00 0.00 179.24 178.74 1qn0 h LYS 90 N 1.05 1.24 -0.79 0.28 1.79 -0.37 -0.31 116.57 119.47 1qn0 h LYS 90 Ca 0.41 -0.17 -0.07 0.00 -2.18 0.00 0.00 60.65 58.65 1qn0 h LYS 90 Cb 0.21 -0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 30.59 1qn0 h LYS 90 CO -0.19 0.93 0.09 0.00 -1.08 0.00 0.00 179.45 179.20 1qn0 n ALA 91 N -2.41 3.60 -1.78 3.86 0.00 -0.09 -4.64 120.51 119.05 1qn0 n ALA 91 Ca 0.09 -1.33 -0.40 0.00 0.00 0.00 0.00 53.44 51.79 1qn0 n ALA 91 Cb 0.12 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 0.20 4.71 0.00 0.00 0.00 0.47 -3.99 105.19 106.58 1qn0 n GLY 92 Ca 0.22 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 3.27 0.00 -4.68 1.61 5.75 -1.26 -5.04 116.55 116.20 1qn0 n ASP 93 Ca 0.63 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 55.00 1qn0 n ASP 93 Cb 0.28 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.33 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 6.99 0.07 -1.12 -1.08 -1.26 -4.94 116.67 115.34 1qn0 s ASP 94 Ca 0.00 1.22 -0.15 0.00 -0.52 0.00 0.00 52.55 53.09 1qn0 s ASP 94 Cb 0.00 -2.46 -0.17 0.00 -1.46 0.00 0.00 42.92 38.83 1qn0 s ASP 94 CO 0.00 -0.35 1.26 0.11 0.52 0.00 0.00 175.17 176.70 1qn0 h LYS 95 N 7.21 0.66 0.00 4.34 1.57 -1.99 -2.98 116.57 125.38 1qn0 h LYS 95 Ca -0.32 -0.55 -0.04 0.00 -1.87 0.00 0.00 60.65 57.87 1qn0 h LYS 95 Cb 1.15 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1qn0 h LYS 95 CO 0.82 1.17 -0.19 1.49 -0.57 0.00 0.00 179.45 182.17 1qn0 h GLU 96 N 0.32 0.00 0.00 3.15 4.81 -1.96 -0.45 114.58 120.46 1qn0 h GLU 96 Ca -0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1qn0 h GLU 96 Cb 1.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 1qn0 h GLU 96 CO 0.14 0.19 -0.09 1.25 -0.73 0.00 0.00 179.01 179.77 1qn0 h LEU 97 N 0.00 0.00 -1.35 1.64 7.12 -1.90 -2.26 115.31 118.55 1qn0 h LEU 97 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1qn0 h LEU 97 Cb 0.38 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1qn0 h LEU 97 CO 0.02 0.09 0.00 1.17 -0.13 0.00 0.00 178.44 179.59 1qn0 n LYS 98 N -3.18 1.84 -2.41 1.25 4.81 -0.18 -3.60 118.16 116.69 1qn0 n LYS 98 Ca 0.01 -0.80 -0.18 0.00 -0.87 0.00 0.00 58.31 56.48 1qn0 n LYS 98 Cb 0.40 -1.52 0.02 0.00 0.02 0.00 0.00 35.03 33.96 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 0.14 2.81 0.00 1.64 4.01 -0.85 -3.54 118.16 122.36 1qn0 n LYS 99 Ca 0.07 -3.99 0.00 0.00 -0.51 0.00 0.00 58.31 53.88 1qn0 n LYS 99 Cb 0.39 -1.98 0.00 0.00 -0.51 0.00 0.00 35.03 32.93 1qn0 n LYS 99 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1qn0 n LYS 100 N -0.52 0.00 -0.00 1.97 2.85 -1.24 -4.67 118.16 116.55 1qn0 n LYS 100 Ca 0.30 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.46 1qn0 n LYS 100 Cb 0.83 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 35.07 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 0.05 -2.57 -5.58 3.38 -1.85 -0.52 115.31 108.22 1qn0 h LEU 101 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1qn0 h LEU 101 Cb 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1qn0 h LEU 101 CO 0.00 1.09 0.00 0.35 0.09 0.00 0.00 178.44 179.97 1qn0 n THR 102 N -3.15 0.79 -1.99 0.22 -2.24 -1.26 -4.84 114.28 101.81 1qn0 n THR 102 Ca -0.15 -0.85 -0.42 0.00 -2.27 0.00 0.00 64.05 60.36 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 -0.79 1.66 -0.02 3.38 0.00 -1.23 -4.86 107.32 105.45 1qn0 s GLY 103 Ca 0.00 1.28 -0.21 0.00 0.00 0.00 0.00 44.72 45.79 1qn0 s GLY 103 CO 0.00 2.61 0.91 0.00 0.00 0.00 0.00 173.10 176.62 1qn0 s LYS 105 N -3.90 2.14 -0.47 0.00 -2.85 -1.26 -4.64 119.74 108.76 1qn0 s LYS 105 Ca -0.12 -0.91 -0.03 0.00 -1.00 0.00 0.00 55.97 53.92 1qn0 s LYS 105 Cb 0.01 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.76 1qn0 s LYS 105 CO 0.40 0.52 0.37 0.41 0.10 0.00 0.00 175.35 177.15 1qn0 n GLY 106 N 2.54 0.42 3.88 0.59 0.00 -0.44 -5.02 105.19 107.17 1qn0 n GLY 106 Ca -0.16 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.07 4.49 0.00 1.61 1.04 -0.85 -4.77 113.70 112.14 1qn0 s SER 107 Ca 0.18 -1.41 0.24 0.00 0.48 0.00 0.00 55.95 55.44 1qn0 s SER 107 Cb -0.08 0.60 1.33 0.00 0.10 0.00 0.00 66.02 67.97 1qn0 s SER 107 CO 0.23 -1.11 1.80 0.00 0.98 0.00 0.00 173.24 175.14 1qn0 n ALA 108 N -1.68 2.31 -0.10 5.32 0.00 -0.20 -2.73 120.51 123.43 1qn0 n ALA 108 Ca -0.08 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.03 1qn0 n ALA 108 Cb 0.65 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.37 3.54 -1.22 0.00 4.02 -1.18 -4.35 115.29 113.73 1qn0 s HIS 110 Ca -0.27 -3.23 -0.08 0.00 1.02 0.00 0.00 55.06 52.50 1qn0 s HIS 110 Cb 0.10 -2.84 0.21 0.00 -1.02 0.00 0.00 32.58 29.02 1qn0 s HIS 110 CO 0.37 -0.63 1.76 -0.35 1.02 0.00 0.00 174.74 176.91 1qn0 n PRO 111 N 2.33 3.86 0.00 8.40 -0.04 -1.11 -1.32 135.00 147.12 1qn0 n PRO 111 Ca 0.16 -3.82 0.00 0.00 -0.04 0.00 0.00 63.50 59.81 1qn0 n PRO 111 Cb 0.35 -2.81 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 0.45 -0.04 0.00 0.00 175.50 175.91