#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 -8.57 -4.68 6.55 9.92 -1.26 -4.70 116.55 113.82 1qn0 n ASP 2 Ca 0.00 1.57 -0.49 0.00 -0.53 0.00 0.00 54.79 55.33 1qn0 n ASP 2 Cb 0.00 -4.91 -0.05 0.00 -0.64 0.00 0.00 41.12 35.52 1qn0 n ASP 2 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1qn0 n VAL 3 N 1.92 0.55 -0.98 2.53 3.14 -1.26 -4.88 118.33 119.36 1qn0 n VAL 3 Ca 0.00 -0.11 -0.37 0.00 -2.96 0.00 0.00 64.34 60.90 1qn0 n VAL 3 Cb 0.00 -1.83 0.05 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 6.66 -0.08 -3.14 1.45 -0.02 -1.26 -4.92 135.00 133.69 1qn0 n PRO 4 Ca 0.24 -0.02 -0.31 0.00 -2.02 0.00 0.00 63.50 61.38 1qn0 n PRO 4 Cb 0.28 -1.08 -0.05 0.00 -0.02 0.00 0.00 33.50 32.63 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 -2.03 3.40 0.87 3.55 0.00 -1.26 -4.69 121.76 121.60 1qn0 s ALA 5 Ca 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1qn0 s ALA 5 Cb -0.09 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1qn0 s ALA 5 CO 0.76 0.28 0.00 -0.40 0.00 0.00 0.00 175.76 176.40 1qn0 n ASP 6 N -0.60 -0.37 -1.29 0.00 5.75 -1.26 -4.41 116.55 114.37 1qn0 n ASP 6 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.68 1qn0 n ASP 6 Cb 0.53 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.00 0.06 3.78 6.12 0.00 -1.24 -4.99 105.19 108.92 1qn0 n GLY 7 Ca 0.00 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.57 3.51 -0.03 4.61 0.00 -0.87 -4.94 121.76 121.47 1qn0 s ALA 8 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.09 1qn0 s ALA 8 Cb 0.00 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 1qn0 s ALA 8 CO 0.00 0.24 -0.22 0.15 0.00 0.00 0.00 175.76 175.93 1qn0 s LYS 9 N -0.53 2.25 -0.10 0.00 1.02 -1.26 0.33 119.74 121.45 1qn0 s LYS 9 Ca 0.31 -0.85 0.01 0.00 0.02 0.00 0.00 55.97 55.46 1qn0 s LYS 9 Cb -0.19 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 1qn0 s LYS 9 CO 0.19 0.57 -0.13 0.42 -0.92 0.00 0.00 175.35 175.48 1qn0 s ILE 10 N -0.63 3.07 -0.43 2.17 1.01 0.21 -4.96 121.20 121.64 1qn0 s ILE 10 Ca 0.10 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.12 1qn0 s ILE 10 Cb -0.10 -2.26 0.19 0.00 0.01 0.00 0.00 42.46 40.29 1qn0 s ILE 10 CO -0.00 0.55 0.74 -0.62 0.00 0.00 0.00 174.94 175.60 1qn0 s ASP 11 N 0.01 -1.28 -0.03 3.58 2.15 -1.26 -2.07 116.67 117.77 1qn0 s ASP 11 Ca -0.04 -0.95 0.05 0.00 0.43 0.00 0.00 52.55 52.03 1qn0 s ASP 11 Cb -0.14 1.65 -0.07 0.00 -0.30 0.00 0.00 42.92 44.06 1qn0 s ASP 11 CO 0.04 -0.11 0.05 0.49 -0.17 0.00 0.00 175.17 175.48 1qn0 n PHE 12 N 3.78 0.00 -3.32 -5.34 3.72 -1.26 -4.89 117.46 110.15 1qn0 n PHE 12 Ca 0.12 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 57.06 1qn0 n PHE 12 Cb 0.58 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.89 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 -2.21 5.31 1.05 4.37 1.01 -1.26 -4.98 121.20 124.49 1qn0 s ILE 13 Ca -0.02 -1.78 -0.16 0.00 0.00 0.00 0.00 60.65 58.69 1qn0 s ILE 13 Cb 0.02 -4.37 0.22 0.00 0.01 0.00 0.00 42.46 38.35 1qn0 s ILE 13 CO 0.20 -0.91 1.17 0.00 0.00 0.00 0.00 174.94 175.40 1qn0 s ALA 14 N 1.19 1.35 0.33 9.38 0.00 -1.26 -4.58 121.76 128.18 1qn0 s ALA 14 Ca 0.07 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.21 1qn0 s ALA 14 Cb -0.24 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 1qn0 s ALA 14 CO -0.00 -2.91 0.34 0.41 0.00 0.00 0.00 175.76 173.59 1qn0 n GLY 15 N -2.03 2.70 0.21 0.00 0.00 -1.09 -4.97 105.19 100.01 1qn0 n GLY 15 Ca 0.12 -1.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.62 -2.70 0.87 -0.02 0.00 -1.26 -3.95 105.19 97.52 1qn0 n GLY 16 Ca 0.06 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1qn0 n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qn0 n GLU 17 N -4.11 0.00 -1.20 1.61 4.07 -1.26 -5.11 120.64 114.64 1qn0 n GLU 17 Ca 0.01 -1.11 0.00 0.00 -0.06 0.00 0.00 57.16 56.00 1qn0 n GLU 17 Cb 0.13 -0.10 0.00 0.00 -0.06 0.00 0.00 31.44 31.41 1qn0 n GLU 17 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1qn0 n LYS 18 N 0.15 0.36 0.00 5.31 5.02 -1.25 -5.17 118.16 122.57 1qn0 n LYS 18 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1qn0 n LYS 18 Cb 0.80 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.81 1qn0 n LYS 18 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1qn0 n ASN 19 N -1.65 0.00 -4.49 4.39 0.23 -1.26 -2.66 115.26 109.82 1qn0 n ASN 19 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.63 1qn0 n ASN 19 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 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 4.06 -0.43 -4.53 1.43 -1.26 -4.98 118.68 112.97 1qn0 s LEU 20 Ca 0.00 -0.98 -0.23 0.00 -1.03 0.00 0.00 54.13 51.89 1qn0 s LEU 20 Cb 0.00 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.78 1qn0 s LEU 20 CO 0.00 -1.52 0.76 -0.89 0.23 0.00 0.00 176.35 174.93 1qn0 s THR 21 N 4.44 4.69 -0.07 5.49 2.01 -1.26 -4.74 115.64 126.20 1qn0 s THR 21 Ca 0.28 0.48 -0.11 0.00 0.31 0.00 0.00 61.69 62.65 1qn0 s THR 21 Cb -0.12 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.06 1qn0 s THR 21 CO 0.08 -0.64 0.27 -0.69 -0.69 0.00 0.00 174.62 172.95 1qn0 s VAL 22 N 3.18 5.29 -0.08 3.82 1.01 -0.88 -4.85 120.40 127.89 1qn0 s VAL 22 Ca 0.29 0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.71 1qn0 s VAL 22 Cb -0.13 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1qn0 s VAL 22 CO 0.21 0.58 0.17 -0.69 0.00 0.00 0.00 175.10 175.37 1qn0 s VAL 23 N -0.91 5.46 0.06 2.92 1.01 -1.26 0.65 120.40 128.33 1qn0 s VAL 23 Ca 0.19 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1qn0 s VAL 23 Cb -0.14 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1qn0 s VAL 23 CO 0.08 0.52 -0.07 0.12 0.00 0.00 0.00 175.10 175.75 1qn0 s PHE 24 N -1.13 0.72 -0.00 5.22 5.36 0.15 -4.92 117.98 123.37 1qn0 s PHE 24 Ca 0.20 -0.65 0.01 0.00 -0.96 0.00 0.00 56.93 55.53 1qn0 s PHE 24 Cb -0.12 -0.43 -0.00 0.00 -0.34 0.00 0.00 43.02 42.13 1qn0 s PHE 24 CO 0.09 -0.12 -0.02 1.21 -1.46 0.00 0.00 175.22 174.92 1qn0 s ASN 25 N -2.07 0.27 0.24 6.13 2.47 -1.26 -2.04 114.94 118.68 1qn0 s ASN 25 Ca -0.03 -0.04 0.21 0.00 0.42 0.00 0.00 52.86 53.42 1qn0 s ASN 25 Cb -0.05 -0.04 0.05 0.00 -1.45 0.00 0.00 41.25 39.77 1qn0 s ASN 25 CO -0.02 0.02 1.17 0.45 -3.72 0.00 0.00 177.10 175.01 1qn0 h HIS 26 N 6.14 0.00 -0.01 0.43 3.86 -1.87 -3.22 115.15 120.49 1qn0 h HIS 26 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1qn0 h HIS 26 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 1qn0 h HIS 26 CO 0.41 0.18 0.00 0.43 0.86 0.00 0.00 177.93 179.81 1qn0 n SER 27 N -2.88 0.07 -0.12 2.45 7.64 -1.26 -2.57 113.62 116.94 1qn0 n SER 27 Ca -0.01 -1.47 -0.17 0.00 1.01 0.00 0.00 58.87 58.23 1qn0 n SER 27 Cb 0.63 -0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.71 1qn0 n SER 27 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1qn0 n THR 28 N -0.73 1.42 -1.01 0.44 -1.04 -1.21 -4.37 114.28 107.78 1qn0 n THR 28 Ca 0.13 -0.55 -0.02 0.00 -2.04 0.00 0.00 64.05 61.57 1qn0 n THR 28 Cb 0.07 -1.35 0.34 0.00 -1.82 0.00 0.00 70.33 67.56 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 -3.21 2.35 0.32 -1.42 8.25 -1.20 -4.44 115.22 115.87 1qn0 n HIS 29 Ca -0.44 -1.07 0.18 0.00 -0.26 0.00 0.00 57.72 56.13 1qn0 n HIS 29 Cb 0.97 -0.64 0.95 0.00 1.12 0.00 0.00 29.99 32.39 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 3.06 0.00 -0.10 -0.41 2.10 -1.70 1.72 116.57 121.24 1qn0 h LYS 30 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1qn0 h LYS 30 Cb 2.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.57 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 -2.88 1.47 -4.34 7.07 5.68 -1.26 -4.78 116.55 117.51 1qn0 n ASP 31 Ca -0.02 -1.60 -0.33 0.00 -0.50 0.00 0.00 54.79 52.34 1qn0 n ASP 31 Cb 0.23 -0.06 -0.15 0.00 -1.14 0.00 0.00 41.12 40.00 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 -1.88 2.90 0.89 2.12 1.01 0.59 -5.10 120.40 120.92 1qn0 s VAL 32 Ca 0.35 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 1qn0 s VAL 32 Cb 0.19 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1qn0 s VAL 32 CO 0.29 0.53 0.41 0.29 0.00 0.00 0.00 175.10 176.61 1qn0 n LYS 33 N 3.57 -0.10 -0.02 2.72 5.02 -1.26 -4.89 118.16 123.20 1qn0 n LYS 33 Ca -0.18 0.01 -0.16 0.00 -2.02 0.00 0.00 58.31 55.96 1qn0 n LYS 33 Cb 0.53 -1.83 -0.09 0.00 -0.02 0.00 0.00 35.03 33.62 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 -4.21 0.00 0.25 0.00 5.75 -1.26 -0.27 116.55 116.81 1qn0 n ASP 35 Ca -0.09 0.50 0.17 0.00 -0.01 0.00 0.00 54.79 55.37 1qn0 n ASP 35 Cb 0.63 -0.50 0.81 0.00 -1.03 0.00 0.00 41.12 41.03 1qn0 n ASP 35 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1qn0 h ASP 36 N 0.00 0.00 0.00 -1.12 1.82 -1.82 -3.34 116.42 111.96 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 0.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1qn0 h ASP 36 CO 0.00 0.00 -0.41 0.00 -1.61 0.00 0.00 179.24 177.22 1qn0 s HIS 38 N -1.96 2.49 -0.55 0.00 3.76 0.62 -4.76 115.29 114.90 1qn0 s HIS 38 Ca 0.00 -0.89 -0.02 0.00 -0.15 0.00 0.00 55.06 54.00 1qn0 s HIS 38 Cb 0.00 -4.53 0.27 0.00 1.11 0.00 0.00 32.58 29.44 1qn0 s HIS 38 CO 0.00 -1.67 2.20 -2.39 -0.85 0.00 0.00 174.74 172.02 1qn0 n HIS 39 N 10.24 2.31 -4.13 1.40 -0.00 -1.26 -4.25 115.22 119.53 1qn0 n HIS 39 Ca 0.45 -2.35 -0.31 0.00 -0.00 0.00 0.00 57.72 55.52 1qn0 n HIS 39 Cb 0.47 -1.24 -0.08 0.00 -0.00 0.00 0.00 29.99 29.14 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 -2.79 2.79 0.68 -1.40 1.11 -1.26 -5.09 119.66 113.70 1qn0 s GLN 40 Ca 0.51 -0.68 -0.17 0.00 0.01 0.00 0.00 55.36 55.03 1qn0 s GLN 40 Cb 0.39 -2.68 -0.02 0.00 -1.01 0.00 0.00 33.01 29.69 1qn0 s GLN 40 CO -0.13 0.58 0.89 -0.35 0.01 0.00 0.00 175.29 176.30 1qn0 n PRO 41 N 0.81 0.61 -0.62 2.91 -0.04 -1.26 -4.28 135.00 133.12 1qn0 n PRO 41 Ca -0.11 0.26 -0.19 0.00 -0.04 0.00 0.00 63.50 63.42 1qn0 n PRO 41 Cb 0.52 -2.14 0.12 0.00 -0.04 0.00 0.00 33.50 31.96 1qn0 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qn0 n GLY 42 N 1.26 -2.30 5.00 0.55 0.00 -1.26 -1.52 105.19 106.92 1qn0 n GLY 42 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1qn0 n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qn0 n ASP 43 N -0.17 0.00 -0.89 1.61 -0.08 -1.26 -3.86 116.55 111.90 1qn0 n ASP 43 Ca 0.04 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.32 1qn0 n ASP 43 Cb 0.37 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.03 1qn0 n ASP 43 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1qn0 n LYS 44 N 0.00 1.75 -0.35 -0.67 3.00 -1.17 -4.77 118.16 115.95 1qn0 n LYS 44 Ca 0.00 -3.20 0.34 0.00 -0.00 0.00 0.00 58.31 55.44 1qn0 n LYS 44 Cb 0.00 -1.73 0.60 0.00 0.00 0.00 0.00 35.03 33.90 1qn0 n LYS 44 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1qn0 n GLN 45 N -1.12 -0.05 -3.57 1.64 -0.06 -0.57 -2.35 117.38 111.30 1qn0 n GLN 45 Ca 0.27 1.32 -0.40 0.00 -2.00 0.00 0.00 57.00 56.18 1qn0 n GLN 45 Cb 0.88 -2.43 -0.06 0.00 -4.06 0.00 0.00 30.24 24.57 1qn0 n GLN 45 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1qn0 s TYR 46 N -5.41 3.61 0.32 3.69 2.02 -1.26 -4.00 117.35 116.32 1qn0 s TYR 46 Ca -0.08 -2.54 0.04 0.00 -0.37 0.00 0.00 57.07 54.11 1qn0 s TYR 46 Cb 0.32 -3.42 -0.06 0.00 -0.40 0.00 0.00 41.96 38.40 1qn0 s TYR 46 CO 0.77 -0.88 0.05 0.00 -1.57 0.00 0.00 175.55 173.93 1qn0 s ALA 47 N -0.24 2.35 0.49 3.71 0.00 -0.99 -5.12 121.76 121.96 1qn0 s ALA 47 Ca 0.19 -2.05 -0.24 0.00 0.00 0.00 0.00 51.96 49.86 1qn0 s ALA 47 Cb -0.15 0.65 -0.07 0.00 0.00 0.00 0.00 23.12 23.55 1qn0 s ALA 47 CO -0.06 -0.30 1.42 0.20 0.00 0.00 0.00 175.76 177.01 1qn0 s GLY 48 N -3.48 2.91 0.13 0.00 0.00 -1.26 -4.91 107.32 100.71 1qn0 s GLY 48 Ca 0.36 1.44 0.07 0.00 0.00 0.00 0.00 44.72 46.60 1qn0 s GLY 48 CO 0.15 2.03 1.29 0.00 0.00 0.00 0.00 173.10 176.58 1qn0 n THR 50 N -3.38 1.60 -1.57 0.00 -2.24 -1.26 -1.60 114.28 105.84 1qn0 n THR 50 Ca -0.00 -0.80 -0.33 0.00 -2.27 0.00 0.00 64.05 60.64 1qn0 n THR 50 Cb 0.93 -0.39 0.07 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.99 2.92 0.71 4.28 2.01 -1.16 -3.86 115.64 118.55 1qn0 s THR 51 Ca 0.31 0.42 -0.16 0.00 0.31 0.00 0.00 61.69 62.56 1qn0 s THR 51 Cb 0.24 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.82 1qn0 s THR 51 CO 0.09 -0.28 0.89 -0.67 -0.69 0.00 0.00 174.62 173.97 1qn0 n ASP 52 N -2.69 0.21 -1.25 3.53 2.03 -1.26 -1.34 116.55 115.79 1qn0 n ASP 52 Ca 0.11 0.66 -0.15 0.00 0.52 0.00 0.00 54.79 55.93 1qn0 n ASP 52 Cb 0.52 -1.37 -0.07 0.00 -0.72 0.00 0.00 41.12 39.48 1qn0 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qn0 n GLY 53 N 1.20 1.47 0.00 0.27 0.00 -1.26 -4.83 105.19 102.04 1qn0 n GLY 53 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 1.50 -2.08 0.00 8.25 -0.63 -4.60 115.22 117.66 1qn0 n HIS 55 Ca 0.00 -1.93 -0.41 0.00 -0.26 0.00 0.00 57.72 55.12 1qn0 n HIS 55 Cb 0.00 -1.29 -0.00 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 0.82 6.13 -3.75 0.41 2.85 -1.22 -4.00 115.26 116.51 1qn0 n ASN 56 Ca 0.44 -3.05 -0.28 0.00 -0.11 0.00 0.00 54.58 51.58 1qn0 n ASN 56 Cb 0.58 -1.47 -0.16 0.00 1.24 0.00 0.00 39.78 39.97 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 0.38 0.62 -1.11 -1.44 -1.09 -1.22 -5.00 121.20 112.33 1qn0 s ILE 57 Ca 0.47 -0.67 -0.08 0.00 -2.23 0.00 0.00 60.65 58.14 1qn0 s ILE 57 Cb 0.13 -1.13 0.28 0.00 -1.58 0.00 0.00 42.46 40.16 1qn0 s ILE 57 CO -0.04 -0.24 1.26 0.18 -1.23 0.00 0.00 174.94 174.87 1qn0 n LEU 58 N 5.01 5.83 -3.58 2.97 4.77 -1.26 -3.78 117.00 126.96 1qn0 n LEU 58 Ca -0.09 -5.07 -0.01 0.00 -0.03 0.00 0.00 56.01 50.81 1qn0 n LEU 58 Cb 0.46 -1.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.09 1qn0 n LEU 58 CO 0.13 1.44 0.39 -0.62 -1.33 0.00 0.00 177.39 177.40 1qn0 s ASP 59 N 0.35 -0.93 -0.28 -1.43 -1.08 -1.26 -5.03 116.67 107.02 1qn0 s ASP 59 Ca 0.32 1.31 -0.03 0.00 -0.52 0.00 0.00 52.55 53.62 1qn0 s ASP 59 Cb -0.05 1.97 0.02 0.00 -1.46 0.00 0.00 42.92 43.40 1qn0 s ASP 59 CO -0.02 -0.19 2.72 0.29 0.52 0.00 0.00 175.17 178.50 1qn0 n LYS 60 N 5.09 2.05 0.00 4.34 4.01 -1.26 -3.89 118.16 128.50 1qn0 n LYS 60 Ca -0.12 -1.66 0.00 0.00 -0.51 0.00 0.00 58.31 56.02 1qn0 n LYS 60 Cb 0.52 -1.89 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 1qn0 n LYS 60 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qn0 n ALA 61 N 1.17 0.00 -2.63 7.82 0.00 -1.26 -5.15 120.51 120.45 1qn0 n ALA 61 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.53 1qn0 n ALA 61 Cb 0.64 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 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 4.25 -0.47 0.00 2.15 -1.25 -5.11 116.67 116.24 1qn0 s ASP 62 Ca 0.00 -1.48 0.03 0.00 0.43 0.00 0.00 52.55 51.53 1qn0 s ASP 62 Cb 0.00 0.32 0.15 0.00 -0.30 0.00 0.00 42.92 43.09 1qn0 s ASP 62 CO 0.00 -0.84 0.32 -0.75 -0.17 0.00 0.00 175.17 173.73 1qn0 s LYS 63 N -3.96 1.26 -0.21 4.34 2.20 -1.26 -5.07 119.74 117.05 1qn0 s LYS 63 Ca 0.18 -2.20 -0.35 0.00 -0.36 0.00 0.00 55.97 53.24 1qn0 s LYS 63 Cb 0.02 -2.06 0.14 0.00 -1.51 0.00 0.00 37.83 34.42 1qn0 s LYS 63 CO 0.10 -1.27 1.23 0.45 -0.36 0.00 0.00 175.35 175.50 1qn0 s SER 64 N 0.01 -0.12 0.00 1.43 0.15 -1.26 -4.99 113.70 108.92 1qn0 s SER 64 Ca 0.25 0.01 0.19 0.00 0.70 0.00 0.00 55.95 57.10 1qn0 s SER 64 Cb -0.10 0.13 1.09 0.00 -1.71 0.00 0.00 66.02 65.43 1qn0 s SER 64 CO -0.10 -0.20 1.71 0.55 1.20 0.00 0.00 173.24 176.40 1qn0 n VAL 65 N -0.03 0.03 -0.26 4.45 3.14 -1.26 -2.78 118.33 121.62 1qn0 n VAL 65 Ca 0.01 -0.04 0.10 0.00 -2.96 0.00 0.00 64.34 61.44 1qn0 n VAL 65 Cb 0.58 -0.21 0.31 0.00 -1.06 0.00 0.00 33.84 33.46 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 -0.65 3.97 -4.73 6.55 4.13 -1.26 -4.85 115.26 118.42 1qn0 n ASN 66 Ca 0.15 -2.21 -0.41 0.00 1.68 0.00 0.00 54.58 53.79 1qn0 n ASN 66 Cb 0.10 -0.50 -0.04 0.00 -1.54 0.00 0.00 39.78 37.80 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 -0.92 7.38 -0.10 6.41 1.04 -1.12 -3.40 113.70 122.98 1qn0 s SER 67 Ca 0.46 1.87 0.14 0.00 0.48 0.00 0.00 55.95 58.89 1qn0 s SER 67 Cb 0.27 -2.59 0.58 0.00 0.10 0.00 0.00 66.02 64.38 1qn0 s SER 67 CO 0.26 -0.17 1.45 1.87 0.98 0.00 0.00 173.24 177.63 1qn0 n TRP 68 N 2.97 1.25 -0.13 5.02 -0.00 -1.25 -3.59 117.44 121.71 1qn0 n TRP 68 Ca 0.04 -0.48 0.00 0.00 -0.00 0.00 0.00 57.50 57.05 1qn0 n TRP 68 Cb 0.48 -0.23 0.00 0.00 -0.00 0.00 0.00 31.31 31.56 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 0.80 0.00 -0.08 5.87 4.19 -1.26 -4.62 117.16 122.07 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 0.77 0.00 -0.08 0.00 0.49 0.00 0.00 39.34 40.52 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 -0.10 0.51 0.00 2.98 4.81 -1.24 -3.60 118.16 121.52 1qn0 n LYS 70 Ca 0.00 0.09 0.07 0.00 -0.87 0.00 0.00 58.31 57.60 1qn0 n LYS 70 Cb 0.03 -1.33 0.38 0.00 0.02 0.00 0.00 35.03 34.13 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 -2.95 0.48 -0.10 3.15 0.24 -1.24 0.10 118.33 118.00 1qn0 n VAL 71 Ca -0.29 0.12 -0.20 0.00 -2.04 0.00 0.00 64.34 61.93 1qn0 n VAL 71 Cb 0.82 -0.88 -0.08 0.00 -1.47 0.00 0.00 33.84 32.23 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 -1.23 1.14 -1.33 3.34 0.31 -1.26 -4.23 118.33 115.08 1qn0 n VAL 72 Ca 0.08 -0.33 -0.20 0.00 -0.01 0.00 0.00 64.34 63.87 1qn0 n VAL 72 Cb 0.10 -1.62 0.17 0.00 -0.91 0.00 0.00 33.84 31.58 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 -3.70 2.57 -2.67 3.52 8.25 -1.09 -3.68 115.22 118.43 1qn0 n HIS 73 Ca -0.39 -1.94 -0.42 0.00 -0.26 0.00 0.00 57.72 54.71 1qn0 n HIS 73 Cb 0.81 -0.87 -0.03 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.75 6.17 0.24 0.41 1.01 0.28 -4.82 116.67 118.21 1qn0 s ASP 74 Ca 0.55 -0.65 0.11 0.00 0.71 0.00 0.00 52.55 53.27 1qn0 s ASP 74 Cb 0.46 -2.50 0.19 0.00 1.01 0.00 0.00 42.92 42.08 1qn0 s ASP 74 CO 0.06 -1.68 1.50 0.00 0.21 0.00 0.00 175.17 175.27 1qn0 h ALA 75 N 9.84 0.74 -2.39 5.23 0.00 -1.91 -3.37 119.26 127.41 1qn0 h ALA 75 Ca -0.28 -0.63 -0.48 0.00 0.00 0.00 0.00 54.91 53.52 1qn0 h ALA 75 Cb 1.06 -0.11 0.04 0.00 0.00 0.00 0.00 17.79 18.77 1qn0 h ALA 75 CO 1.24 0.86 0.40 0.21 0.00 0.00 0.00 179.25 181.96 1qn0 s LYS 76 N -3.24 3.71 0.00 0.00 2.20 -1.26 -4.77 119.74 116.38 1qn0 s LYS 76 Ca 0.00 1.42 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 1qn0 s LYS 76 Cb 0.11 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 1qn0 s LYS 76 CO 0.77 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.65 1qn0 n GLY 77 N -0.15 -1.48 0.00 5.54 0.00 -1.26 -4.87 105.19 102.96 1qn0 n GLY 77 Ca 0.10 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 2.08 0.79 0.46 -0.02 0.00 -1.26 -4.82 105.19 102.41 1qn0 n GLY 78 Ca 0.00 -1.86 0.24 0.00 0.00 0.00 0.00 46.02 44.40 1qn0 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn0 h ALA 79 N 0.00 2.52 -2.92 4.61 0.00 -2.07 -3.40 119.26 117.99 1qn0 h ALA 79 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1qn0 h ALA 79 Cb 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.72 1qn0 h ALA 79 CO 0.00 -1.18 0.12 -1.59 0.00 0.00 0.00 179.25 176.60 1qn0 s LYS 80 N -4.52 1.23 0.83 0.00 -2.85 -1.26 -5.18 119.74 108.00 1qn0 s LYS 80 Ca -0.03 -0.56 -0.14 0.00 -1.00 0.00 0.00 55.97 54.23 1qn0 s LYS 80 Cb 0.15 0.55 0.20 0.00 -2.06 0.00 0.00 37.83 36.66 1qn0 s LYS 80 CO 0.50 -0.52 1.04 -0.35 0.10 0.00 0.00 175.35 176.12 1qn0 n PRO 81 N -0.33 -1.40 -0.86 1.78 -0.04 -1.26 -4.88 135.00 128.00 1qn0 n PRO 81 Ca -0.16 -1.62 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 1qn0 n PRO 81 Cb 0.64 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 -3.68 0.00 1.65 0.52 -2.24 -1.26 -4.95 114.28 104.32 1qn0 n THR 82 Ca 0.13 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.06 1qn0 n THR 82 Cb 0.47 0.00 0.81 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.09 0.53 0.20 0.00 2.08 -1.24 -4.07 119.36 115.76 1qn0 n ILE 84 Ca 0.19 -0.17 -0.17 0.00 0.56 0.00 0.00 62.75 63.16 1qn0 n ILE 84 Cb 0.14 -1.16 -0.10 0.00 -0.75 0.00 0.00 39.64 37.77 1qn0 n ILE 84 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1qn0 h SER 85 N -0.15 -1.43 0.84 4.38 0.02 -1.71 1.79 113.55 117.29 1qn0 h SER 85 Ca -0.22 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1qn0 h SER 85 Cb 1.28 0.50 0.01 0.00 0.14 0.00 0.00 62.40 64.33 1qn0 h SER 85 CO -0.08 -0.59 -0.40 0.00 -1.14 0.00 0.00 176.83 174.61 1qn0 h HIS 87 N -1.20 0.79 -0.20 0.00 -0.00 -1.68 0.85 115.15 113.71 1qn0 h HIS 87 Ca -0.11 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1qn0 h HIS 87 Cb 0.87 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 1qn0 h HIS 87 CO -0.01 -0.10 0.13 0.87 -0.00 0.00 0.00 177.93 178.82 1qn0 h LYS 88 N 0.32 0.27 -1.00 2.45 1.79 0.33 0.29 116.57 121.03 1qn0 h LYS 88 Ca 0.71 -0.02 0.08 0.00 -2.18 0.00 0.00 60.65 59.23 1qn0 h LYS 88 Cb 1.78 -0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 32.30 1qn0 h LYS 88 CO -0.48 0.21 0.64 0.22 -1.08 0.00 0.00 179.45 178.96 1qn0 h ASP 89 N 0.26 1.01 -0.50 0.86 3.58 0.15 0.56 116.42 122.34 1qn0 h ASP 89 Ca 0.07 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 1qn0 h ASP 89 Cb 0.00 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 1qn0 h ASP 89 CO -0.01 0.63 0.21 0.11 -2.88 0.00 0.00 179.24 177.29 1qn0 h LYS 90 N 1.13 0.75 -0.79 0.28 1.79 -0.36 -1.39 116.57 117.98 1qn0 h LYS 90 Ca 0.44 -0.13 -0.06 0.00 -2.18 0.00 0.00 60.65 58.71 1qn0 h LYS 90 Cb 0.23 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 1qn0 h LYS 90 CO -0.19 0.66 0.08 0.00 -1.08 0.00 0.00 179.45 178.92 1qn0 n ALA 91 N -2.33 3.59 -1.84 3.86 0.00 0.02 -4.63 120.51 119.17 1qn0 n ALA 91 Ca 0.02 -1.32 -0.40 0.00 0.00 0.00 0.00 53.44 51.73 1qn0 n ALA 91 Cb 0.15 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 0.21 4.79 0.00 0.00 0.00 0.18 -4.03 105.19 106.34 1qn0 n GLY 92 Ca 0.21 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 3.05 0.00 -4.68 1.61 5.75 -1.26 -5.02 116.55 116.01 1qn0 n ASP 93 Ca 0.62 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.97 1qn0 n ASP 93 Cb 0.28 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.34 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 7.18 0.16 -1.12 -1.08 -1.26 -4.92 116.67 115.64 1qn0 s ASP 94 Ca 0.00 1.49 -0.07 0.00 -0.52 0.00 0.00 52.55 53.45 1qn0 s ASP 94 Cb 0.00 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 38.93 1qn0 s ASP 94 CO 0.00 -0.54 1.45 0.11 0.52 0.00 0.00 175.17 176.71 1qn0 h LYS 95 N 7.27 0.68 0.00 4.34 1.57 -1.98 -2.72 116.57 125.72 1qn0 h LYS 95 Ca -0.26 -0.44 -0.04 0.00 -1.87 0.00 0.00 60.65 58.03 1qn0 h LYS 95 Cb 1.11 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1qn0 h LYS 95 CO 0.91 1.06 -0.19 1.49 -0.57 0.00 0.00 179.45 182.15 1qn0 h GLU 96 N 0.51 0.00 0.00 3.15 4.57 -1.96 -1.10 114.58 119.76 1qn0 h GLU 96 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1qn0 h GLU 96 Cb 1.15 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1qn0 h GLU 96 CO 0.12 0.19 -0.08 1.25 -1.18 0.00 0.00 179.01 179.31 1qn0 h LEU 97 N 0.00 0.00 -2.00 1.64 7.12 -1.84 -2.97 115.31 117.25 1qn0 h LEU 97 Ca -0.00 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.97 1qn0 h LEU 97 Cb 0.48 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.59 1qn0 h LEU 97 CO 0.03 0.08 0.05 1.17 -0.13 0.00 0.00 178.44 179.64 1qn0 n LYS 98 N -3.13 1.99 -2.72 1.25 4.81 -0.42 -3.36 118.16 116.59 1qn0 n LYS 98 Ca 0.03 -0.96 -0.06 0.00 -0.87 0.00 0.00 58.31 56.45 1qn0 n LYS 98 Cb 0.52 -1.64 0.05 0.00 0.02 0.00 0.00 35.03 33.98 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 1.33 0.00 1.64 5.02 -1.12 -3.98 118.16 121.18 1qn0 n LYS 99 Ca 0.11 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.32 1qn0 n LYS 99 Cb 0.63 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 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 -0.34 0.00 -0.01 1.97 2.85 -1.24 -4.68 118.16 116.71 1qn0 n LYS 100 Ca 0.06 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.20 1qn0 n LYS 100 Cb 0.82 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 35.06 1qn0 n LYS 100 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1qn0 n LEU 101 N -1.78 1.32 0.00 -5.58 4.77 -1.21 -0.67 117.00 113.84 1qn0 n LEU 101 Ca 0.00 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1qn0 n LEU 101 Cb 0.00 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1qn0 n LEU 101 CO 0.00 0.50 0.25 0.35 -1.33 0.00 0.00 177.39 177.16 1qn0 n THR 102 N -3.16 0.11 -1.61 -5.08 -2.24 -1.26 -4.88 114.28 96.16 1qn0 n THR 102 Ca -0.20 -0.50 -0.46 0.00 -2.27 0.00 0.00 64.05 60.62 1qn0 n THR 102 Cb 1.05 1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 70.28 1qn0 n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qn0 n GLY 103 N -0.05 1.18 0.14 3.38 0.00 -1.26 -4.84 105.19 103.74 1qn0 n GLY 103 Ca 0.00 0.85 -0.09 0.00 0.00 0.00 0.00 46.02 46.77 1qn0 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn0 s LYS 105 N -6.06 2.20 -0.23 0.00 2.20 -1.26 -4.74 119.74 111.85 1qn0 s LYS 105 Ca -0.13 -0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 1qn0 s LYS 105 Cb 0.09 -1.79 0.00 0.00 -1.51 0.00 0.00 37.83 34.63 1qn0 s LYS 105 CO 0.71 0.18 0.20 0.41 -0.36 0.00 0.00 175.35 176.49 1qn0 n GLY 106 N 3.41 0.47 3.80 5.54 0.00 -0.83 -4.98 105.19 112.60 1qn0 n GLY 106 Ca -0.20 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 4.34 0.00 1.61 1.04 -0.69 -4.60 113.70 112.23 1qn0 s SER 107 Ca 0.05 -1.39 0.19 0.00 0.48 0.00 0.00 55.95 55.28 1qn0 s SER 107 Cb -0.02 0.23 0.96 0.00 0.10 0.00 0.00 66.02 67.29 1qn0 s SER 107 CO 0.13 -0.85 1.59 0.00 0.98 0.00 0.00 173.24 175.10 1qn0 n ALA 108 N -1.40 2.01 -0.11 5.32 0.00 0.15 -2.69 120.51 123.78 1qn0 n ALA 108 Ca -0.09 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 1qn0 n ALA 108 Cb 0.66 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.43 3.54 -1.27 0.00 4.02 -1.13 -4.48 115.29 113.53 1qn0 s HIS 110 Ca -0.31 -3.15 -0.09 0.00 1.02 0.00 0.00 55.06 52.53 1qn0 s HIS 110 Cb 0.11 -2.92 0.17 0.00 -1.02 0.00 0.00 32.58 28.91 1qn0 s HIS 110 CO 0.44 -0.67 1.85 -0.35 1.02 0.00 0.00 174.74 177.03 1qn0 n PRO 111 N 2.51 3.64 0.00 8.40 -0.04 -1.10 -1.71 135.00 146.71 1qn0 n PRO 111 Ca 0.15 -3.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.04 1qn0 n PRO 111 Cb 0.35 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 1qn0 n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91