#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 -8.89 -4.67 6.55 2.03 -1.26 -4.72 116.55 105.60 1qn0 n ASP 2 Ca 0.00 1.42 -0.49 0.00 0.52 0.00 0.00 54.79 56.24 1qn0 n ASP 2 Cb 0.00 -4.99 -0.05 0.00 -0.72 0.00 0.00 41.12 35.36 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 1.85 0.54 -0.97 5.18 3.14 -1.26 -4.88 118.33 121.93 1qn0 n VAL 3 Ca 0.00 -0.13 -0.37 0.00 -2.96 0.00 0.00 64.34 60.89 1qn0 n VAL 3 Cb 0.00 -1.85 0.05 0.00 -1.06 0.00 0.00 33.84 30.97 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 6.79 -0.09 -3.13 1.45 -0.02 -1.26 -4.91 135.00 133.82 1qn0 n PRO 4 Ca 0.24 -0.02 -0.32 0.00 -2.02 0.00 0.00 63.50 61.38 1qn0 n PRO 4 Cb 0.29 -1.09 -0.06 0.00 -0.02 0.00 0.00 33.50 32.62 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 -2.04 3.34 0.80 3.55 0.00 -1.26 -4.72 121.76 121.44 1qn0 s ALA 5 Ca 0.41 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1qn0 s ALA 5 Cb -0.08 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1qn0 s ALA 5 CO 0.76 0.32 0.00 -0.40 0.00 0.00 0.00 175.76 176.43 1qn0 n ASP 6 N -0.42 -1.01 -1.62 0.00 5.75 -1.26 -4.45 116.55 113.53 1qn0 n ASP 6 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.71 1qn0 n ASP 6 Cb 0.53 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.64 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 0.13 3.35 6.12 0.00 -1.22 -4.98 105.19 108.60 1qn0 n GLY 7 Ca 0.00 -0.33 -0.45 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.88 3.49 0.41 4.61 0.00 -0.91 -4.96 121.76 121.51 1qn0 s ALA 8 Ca 0.17 -2.34 -0.24 0.00 0.00 0.00 0.00 51.96 49.55 1qn0 s ALA 8 Cb -0.07 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 1qn0 s ALA 8 CO 0.20 -2.25 1.11 -1.59 0.00 0.00 0.00 175.76 173.23 1qn0 s LYS 9 N 2.33 4.04 -0.11 0.00 0.00 -1.26 -1.81 119.74 122.93 1qn0 s LYS 9 Ca 0.09 1.66 0.02 0.00 0.00 0.00 0.00 55.97 57.73 1qn0 s LYS 9 Cb -0.26 -2.54 0.01 0.00 0.00 0.00 0.00 37.83 35.04 1qn0 s LYS 9 CO 0.05 -0.29 -0.15 0.42 0.00 0.00 0.00 175.35 175.39 1qn0 s ILE 10 N -1.57 1.46 -0.35 3.79 1.01 0.12 -4.95 121.20 120.71 1qn0 s ILE 10 Ca 0.59 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.63 1qn0 s ILE 10 Cb -0.26 -1.34 0.19 0.00 0.01 0.00 0.00 42.46 41.06 1qn0 s ILE 10 CO 0.32 0.43 0.77 -0.62 0.00 0.00 0.00 174.94 175.84 1qn0 s ASP 11 N 0.98 -1.14 -0.02 3.58 2.15 -1.26 -1.84 116.67 119.11 1qn0 s ASP 11 Ca -0.07 -0.36 0.05 0.00 0.43 0.00 0.00 52.55 52.60 1qn0 s ASP 11 Cb -0.15 1.52 -0.07 0.00 -0.30 0.00 0.00 42.92 43.92 1qn0 s ASP 11 CO -0.01 -0.15 0.07 0.49 -0.17 0.00 0.00 175.17 175.40 1qn0 n PHE 12 N 4.50 0.00 -3.25 -5.34 3.72 -1.26 -4.88 117.46 110.95 1qn0 n PHE 12 Ca 0.08 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 57.02 1qn0 n PHE 12 Cb 0.58 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 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 -2.25 5.30 1.28 4.37 1.01 -1.26 -4.99 121.20 124.65 1qn0 s ILE 13 Ca -0.02 -1.89 -0.18 0.00 0.00 0.00 0.00 60.65 58.56 1qn0 s ILE 13 Cb 0.02 -4.46 0.32 0.00 0.01 0.00 0.00 42.46 38.35 1qn0 s ILE 13 CO 0.21 -1.04 1.00 0.00 0.00 0.00 0.00 174.94 175.10 1qn0 s ALA 14 N 1.19 -0.45 0.00 9.38 0.00 -1.26 -4.65 121.76 125.98 1qn0 s ALA 14 Ca 0.14 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1qn0 s ALA 14 Cb -0.17 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1qn0 s ALA 14 CO -0.03 -4.11 0.00 0.41 0.00 0.00 0.00 175.76 172.02 1qn0 n GLY 15 N 0.75 3.42 0.00 0.00 0.00 -1.10 -4.98 105.19 103.28 1qn0 n GLY 15 Ca 0.08 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 -3.33 0.90 -0.02 0.00 -1.26 -4.30 105.19 97.18 1qn0 n GLY 16 Ca 0.00 0.48 0.04 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.10 0.49 -0.14 1.61 2.13 -1.26 -5.07 120.64 117.29 1qn0 n GLU 17 Ca 0.00 -2.11 0.00 0.00 0.66 0.00 0.00 57.16 55.71 1qn0 n GLU 17 Cb 0.00 -0.64 0.00 0.00 0.27 0.00 0.00 31.44 31.07 1qn0 n GLU 17 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1qn0 n LYS 18 N -0.19 0.00 -3.65 5.31 5.02 -1.26 -5.18 118.16 118.20 1qn0 n LYS 18 Ca 0.09 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.39 1qn0 n LYS 18 Cb 0.88 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.83 1qn0 n LYS 18 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qn0 s ASN 19 N 1.37 -0.05 -0.99 4.39 6.03 -1.26 -2.71 114.94 121.73 1qn0 s ASN 19 Ca 0.00 0.08 -0.23 0.00 -1.03 0.00 0.00 52.86 51.68 1qn0 s ASN 19 Cb 0.00 0.87 -0.00 0.00 -3.03 0.00 0.00 41.25 39.09 1qn0 s ASN 19 CO 0.00 -0.01 1.72 -0.76 -2.03 0.00 0.00 177.10 176.02 1qn0 s LEU 20 N 0.87 3.34 -0.42 3.54 1.43 -1.26 -4.93 118.68 121.25 1qn0 s LEU 20 Ca -0.06 -1.16 -0.28 0.00 -1.03 0.00 0.00 54.13 51.60 1qn0 s LEU 20 Cb -0.03 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.65 1qn0 s LEU 20 CO -0.11 -2.16 1.08 -0.89 0.23 0.00 0.00 176.35 174.50 1qn0 s THR 21 N 7.66 4.36 -0.03 5.49 2.01 -1.26 -4.76 115.64 129.10 1qn0 s THR 21 Ca 0.59 1.33 -0.03 0.00 0.31 0.00 0.00 61.69 63.89 1qn0 s THR 21 Cb -0.03 -4.50 -0.04 0.00 0.01 0.00 0.00 72.50 67.94 1qn0 s THR 21 CO -0.03 -0.79 0.14 -0.69 -0.69 0.00 0.00 174.62 172.56 1qn0 s VAL 22 N 4.05 5.23 -0.11 3.82 1.01 -0.77 -4.90 120.40 128.73 1qn0 s VAL 22 Ca 0.45 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 1qn0 s VAL 22 Cb -0.09 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1qn0 s VAL 22 CO 0.25 0.40 0.04 -0.69 0.00 0.00 0.00 175.10 175.10 1qn0 s VAL 23 N -1.22 4.62 0.06 2.92 1.01 -1.26 0.14 120.40 126.67 1qn0 s VAL 23 Ca 0.23 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.13 1qn0 s VAL 23 Cb -0.12 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1qn0 s VAL 23 CO 0.14 0.58 -0.12 0.12 0.00 0.00 0.00 175.10 175.82 1qn0 s PHE 24 N -0.62 1.00 0.02 5.22 5.36 -0.75 -4.96 117.98 123.25 1qn0 s PHE 24 Ca 0.11 -0.49 0.01 0.00 -0.96 0.00 0.00 56.93 55.60 1qn0 s PHE 24 Cb -0.12 -0.57 -0.01 0.00 -0.34 0.00 0.00 43.02 41.98 1qn0 s PHE 24 CO 0.02 0.00 -0.05 1.21 -1.46 0.00 0.00 175.22 174.94 1qn0 s ASN 25 N -1.74 0.57 0.13 6.13 2.47 -1.26 -2.15 114.94 119.09 1qn0 s ASN 25 Ca -0.04 -0.30 0.16 0.00 0.42 0.00 0.00 52.86 53.10 1qn0 s ASN 25 Cb -0.09 -0.00 -0.08 0.00 -1.45 0.00 0.00 41.25 39.63 1qn0 s ASN 25 CO 0.01 -0.09 1.01 0.45 -3.72 0.00 0.00 177.10 174.77 1qn0 h HIS 26 N 5.32 0.00 0.00 0.43 3.86 -1.88 -3.24 115.15 119.64 1qn0 h HIS 26 Ca -0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.90 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 0.53 0.53 0.00 -1.13 0.86 0.00 0.00 177.93 178.72 1qn0 n SER 27 N -2.98 0.00 -0.04 2.45 3.41 -1.26 -1.85 113.62 113.35 1qn0 n SER 27 Ca -0.06 -0.50 -0.20 0.00 -0.26 0.00 0.00 58.87 57.85 1qn0 n SER 27 Cb 0.80 -0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.10 1.68 -1.08 6.66 -1.04 -1.22 -4.20 114.28 113.99 1qn0 n THR 28 Ca 0.15 -0.63 -0.03 0.00 -2.04 0.00 0.00 64.05 61.51 1qn0 n THR 28 Cb 0.11 -1.63 0.29 0.00 -1.82 0.00 0.00 70.33 67.29 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 -3.41 2.10 0.28 -1.42 8.25 -1.11 -4.49 115.22 115.42 1qn0 n HIS 29 Ca -0.37 -1.18 0.16 0.00 -0.26 0.00 0.00 57.72 56.08 1qn0 n HIS 29 Cb 1.03 -0.61 0.87 0.00 1.12 0.00 0.00 29.99 32.40 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 2.44 0.00 -0.08 -0.41 2.10 -1.53 1.63 116.57 120.71 1qn0 h LYS 30 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 1qn0 h LYS 30 Cb 2.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.47 1qn0 h LYS 30 CO 0.63 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.68 1qn0 n ASP 31 N -2.73 1.74 -4.43 7.07 5.75 -1.26 -4.80 116.55 117.89 1qn0 n ASP 31 Ca -0.02 -1.62 -0.33 0.00 -0.01 0.00 0.00 54.79 52.80 1qn0 n ASP 31 Cb 0.18 -0.05 -0.13 0.00 -1.03 0.00 0.00 41.12 40.09 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 -1.91 3.38 0.81 2.12 1.01 0.56 -5.09 120.40 121.27 1qn0 s VAL 32 Ca 0.35 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 1qn0 s VAL 32 Cb 0.20 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1qn0 s VAL 32 CO 0.31 0.52 0.54 0.29 0.00 0.00 0.00 175.10 176.75 1qn0 n LYS 33 N 3.45 0.11 -0.04 2.72 4.01 -1.26 -4.88 118.16 122.26 1qn0 n LYS 33 Ca -0.18 0.08 -0.14 0.00 -0.51 0.00 0.00 58.31 57.57 1qn0 n LYS 33 Cb 0.53 -1.89 -0.08 0.00 -0.51 0.00 0.00 35.03 33.08 1qn0 n LYS 33 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qn0 n ASP 35 N -4.53 0.03 0.25 0.00 5.68 -1.26 -0.46 116.55 116.26 1qn0 n ASP 35 Ca -0.07 0.51 0.17 0.00 -0.50 0.00 0.00 54.79 54.90 1qn0 n ASP 35 Cb 0.41 -0.52 0.83 0.00 -1.14 0.00 0.00 41.12 40.70 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 -1.78 -3.34 116.42 112.01 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 0.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.09 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 -1.98 2.46 -0.56 0.00 3.76 0.39 -4.76 115.29 114.60 1qn0 s HIS 38 Ca 0.00 -0.79 -0.02 0.00 -0.15 0.00 0.00 55.06 54.10 1qn0 s HIS 38 Cb 0.00 -4.51 0.32 0.00 1.11 0.00 0.00 32.58 29.50 1qn0 s HIS 38 CO 0.00 -1.69 2.11 -2.39 -0.85 0.00 0.00 174.74 171.92 1qn0 n HIS 39 N 10.37 2.50 -4.08 1.40 -0.00 -1.26 -4.24 115.22 119.91 1qn0 n HIS 39 Ca 0.44 -2.50 -0.31 0.00 -0.00 0.00 0.00 57.72 55.36 1qn0 n HIS 39 Cb 0.47 -1.26 -0.07 0.00 -0.00 0.00 0.00 29.99 29.13 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 -3.01 2.80 0.66 -1.40 1.11 -1.25 -5.09 119.66 113.48 1qn0 s GLN 40 Ca 0.52 -0.71 -0.17 0.00 0.01 0.00 0.00 55.36 55.01 1qn0 s GLN 40 Cb 0.40 -2.68 -0.04 0.00 -1.01 0.00 0.00 33.01 29.68 1qn0 s GLN 40 CO -0.08 0.57 0.77 -0.35 0.01 0.00 0.00 175.29 176.20 1qn0 n PRO 41 N 0.56 0.57 -0.56 2.91 -0.04 -1.26 -4.23 135.00 132.94 1qn0 n PRO 41 Ca -0.10 0.24 -0.16 0.00 -0.04 0.00 0.00 63.50 63.44 1qn0 n PRO 41 Cb 0.52 -2.01 0.13 0.00 -0.04 0.00 0.00 33.50 32.09 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 1.43 -2.31 5.00 0.55 0.00 -1.26 -0.88 105.19 107.71 1qn0 n GLY 42 Ca 0.12 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.63 0.00 -0.97 1.61 -0.08 -1.26 -3.64 116.55 111.57 1qn0 n ASP 43 Ca 0.05 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.34 1qn0 n ASP 43 Cb 0.32 0.00 0.21 0.00 2.34 0.00 0.00 41.12 43.99 1qn0 n ASP 43 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1qn0 n LYS 44 N 0.00 2.04 -0.36 -0.67 2.85 -1.18 -4.74 118.16 116.11 1qn0 n LYS 44 Ca 0.00 -3.06 0.34 0.00 -1.05 0.00 0.00 58.31 54.54 1qn0 n LYS 44 Cb 0.00 -1.79 0.61 0.00 -0.65 0.00 0.00 35.03 33.20 1qn0 n LYS 44 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1qn0 h GLN 45 N 1.11 0.01 -3.64 -1.58 4.15 -1.08 -2.65 115.11 111.43 1qn0 h GLN 45 Ca 0.14 -0.00 -0.75 0.00 0.77 0.00 0.00 58.65 58.80 1qn0 h GLN 45 Cb 1.51 -0.00 -0.30 0.00 0.21 0.00 0.00 27.48 28.90 1qn0 h GLN 45 CO 0.29 0.01 -0.02 0.71 -1.93 0.00 0.00 178.83 177.89 1qn0 s TYR 46 N -5.46 3.74 0.32 3.99 2.02 -1.26 -3.91 117.35 116.79 1qn0 s TYR 46 Ca -0.09 -2.45 0.01 0.00 -0.37 0.00 0.00 57.07 54.18 1qn0 s TYR 46 Cb 0.33 -3.56 -0.01 0.00 -0.40 0.00 0.00 41.96 38.33 1qn0 s TYR 46 CO 0.79 -0.90 0.05 0.00 -1.57 0.00 0.00 175.55 173.92 1qn0 n ALA 47 N 3.42 0.36 -1.78 3.71 0.00 -1.00 -5.13 120.51 120.09 1qn0 n ALA 47 Ca 0.15 -1.55 -0.37 0.00 0.00 0.00 0.00 53.44 51.67 1qn0 n ALA 47 Cb 0.42 0.94 -0.04 0.00 0.00 0.00 0.00 19.45 20.77 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 -2.88 2.76 0.09 0.00 0.00 -1.26 -4.95 107.32 101.08 1qn0 s GLY 48 Ca 0.07 0.74 0.01 0.00 0.00 0.00 0.00 44.72 45.55 1qn0 s GLY 48 CO 0.05 1.19 1.17 0.00 0.00 0.00 0.00 173.10 175.51 1qn0 n THR 50 N -3.43 1.17 -1.52 0.00 -2.24 -1.26 -1.35 114.28 105.65 1qn0 n THR 50 Ca -0.05 -0.61 -0.33 0.00 -2.27 0.00 0.00 64.05 60.79 1qn0 n THR 50 Cb 0.99 -0.36 0.07 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.77 2.91 0.74 4.28 2.01 -1.18 -3.93 115.64 118.70 1qn0 s THR 51 Ca 0.24 0.40 -0.16 0.00 0.31 0.00 0.00 61.69 62.49 1qn0 s THR 51 Cb 0.18 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.81 1qn0 s THR 51 CO 0.08 -0.29 0.93 -0.67 -0.69 0.00 0.00 174.62 173.98 1qn0 n ASP 52 N -2.79 0.29 -1.54 3.53 2.03 -1.26 -1.47 116.55 115.34 1qn0 n ASP 52 Ca 0.11 0.64 -0.17 0.00 0.52 0.00 0.00 54.79 55.89 1qn0 n ASP 52 Cb 0.52 -1.39 -0.07 0.00 -0.72 0.00 0.00 41.12 39.45 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 1.11 1.59 0.00 0.27 0.00 -1.26 -4.82 105.19 102.08 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 1.75 -2.14 0.00 8.25 -0.46 -4.61 115.22 118.01 1qn0 n HIS 55 Ca 0.00 -2.01 -0.41 0.00 -0.26 0.00 0.00 57.72 55.03 1qn0 n HIS 55 Cb 0.00 -1.30 -0.00 0.00 1.12 0.00 0.00 29.99 29.81 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 0.62 6.29 -3.77 0.41 2.85 -1.22 -3.98 115.26 116.46 1qn0 n ASN 56 Ca 0.47 -3.09 -0.28 0.00 -0.11 0.00 0.00 54.58 51.57 1qn0 n ASN 56 Cb 0.53 -1.44 -0.16 0.00 1.24 0.00 0.00 39.78 39.95 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 -0.01 0.72 -1.10 -1.44 -1.09 -1.23 -5.01 121.20 112.04 1qn0 s ILE 57 Ca 0.46 -0.75 -0.06 0.00 -2.23 0.00 0.00 60.65 58.07 1qn0 s ILE 57 Cb 0.13 -1.22 0.29 0.00 -1.58 0.00 0.00 42.46 40.09 1qn0 s ILE 57 CO -0.04 -0.25 1.34 0.18 -1.23 0.00 0.00 174.94 174.94 1qn0 n LEU 58 N 4.97 6.04 -3.59 2.97 4.77 -1.26 -3.79 117.00 127.11 1qn0 n LEU 58 Ca -0.09 -5.12 -0.01 0.00 -0.03 0.00 0.00 56.01 50.76 1qn0 n LEU 58 Cb 0.46 -1.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.14 1qn0 n LEU 58 CO 0.14 1.53 0.35 -0.62 -1.33 0.00 0.00 177.39 177.46 1qn0 s ASP 59 N -0.37 -0.99 -0.26 -1.43 2.15 -1.26 -5.03 116.67 109.48 1qn0 s ASP 59 Ca 0.31 1.37 -0.03 0.00 0.43 0.00 0.00 52.55 54.63 1qn0 s ASP 59 Cb -0.02 2.10 0.01 0.00 -0.30 0.00 0.00 42.92 44.72 1qn0 s ASP 59 CO 0.02 -0.19 2.73 0.29 -0.17 0.00 0.00 175.17 177.85 1qn0 n LYS 60 N 5.27 2.00 -2.65 4.34 4.01 -1.26 -3.84 118.16 126.03 1qn0 n LYS 60 Ca -0.12 -1.56 -0.03 0.00 -0.51 0.00 0.00 58.31 56.10 1qn0 n LYS 60 Cb 0.50 -1.86 0.07 0.00 -0.51 0.00 0.00 35.03 33.24 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 1.23 -3.20 -2.64 7.82 0.00 -1.26 -5.15 120.51 117.31 1qn0 n ALA 61 Ca 0.38 -0.30 -0.31 0.00 0.00 0.00 0.00 53.44 53.21 1qn0 n ALA 61 Cb 0.65 -2.66 -0.06 0.00 0.00 0.00 0.00 19.45 17.38 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 -0.06 4.27 -0.44 0.00 2.15 -1.25 -5.11 116.67 116.23 1qn0 s ASP 62 Ca 0.15 -1.51 0.03 0.00 0.43 0.00 0.00 52.55 51.65 1qn0 s ASP 62 Cb 0.22 0.41 0.15 0.00 -0.30 0.00 0.00 42.92 43.40 1qn0 s ASP 62 CO -0.16 -0.89 0.30 -0.54 -0.17 0.00 0.00 175.17 173.71 1qn0 s LYS 63 N -3.98 1.10 -0.14 4.34 -0.14 -1.26 -5.07 119.74 114.59 1qn0 s LYS 63 Ca 0.16 -2.03 -0.34 0.00 -1.36 0.00 0.00 55.97 52.41 1qn0 s LYS 63 Cb 0.01 -1.87 0.13 0.00 -1.68 0.00 0.00 37.83 34.43 1qn0 s LYS 63 CO 0.09 -1.27 1.24 -1.12 -0.76 0.00 0.00 175.35 173.53 1qn0 s SER 64 N 0.22 -0.11 -0.02 2.83 0.01 -1.26 -4.99 113.70 110.38 1qn0 s SER 64 Ca 0.24 -0.04 0.06 0.00 1.31 0.00 0.00 55.95 57.52 1qn0 s SER 64 Cb -0.12 0.15 0.22 0.00 0.21 0.00 0.00 66.02 66.48 1qn0 s SER 64 CO -0.09 -0.25 1.10 0.55 0.41 0.00 0.00 173.24 174.96 1qn0 n VAL 65 N -0.22 0.44 -0.36 3.43 3.14 -1.26 -3.13 118.33 120.38 1qn0 n VAL 65 Ca -0.02 -0.34 0.08 0.00 -2.96 0.00 0.00 64.34 61.10 1qn0 n VAL 65 Cb 0.60 0.01 0.24 0.00 -1.06 0.00 0.00 33.84 33.63 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 0.18 3.56 -4.73 6.55 4.13 -1.26 -4.86 115.26 118.83 1qn0 n ASN 66 Ca 0.08 -2.14 -0.41 0.00 1.68 0.00 0.00 54.58 53.79 1qn0 n ASN 66 Cb 0.28 -0.38 -0.04 0.00 -1.54 0.00 0.00 39.78 38.10 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 -1.06 7.33 -0.06 6.41 1.04 -1.18 -3.47 113.70 122.70 1qn0 s SER 67 Ca 0.36 1.92 0.13 0.00 0.48 0.00 0.00 55.95 58.84 1qn0 s SER 67 Cb 0.21 -2.59 0.49 0.00 0.10 0.00 0.00 66.02 64.22 1qn0 s SER 67 CO 0.22 -0.22 1.36 1.87 0.98 0.00 0.00 173.24 177.45 1qn0 n TRP 68 N 2.98 0.97 -0.05 5.02 -0.00 -1.25 -3.46 117.44 121.64 1qn0 n TRP 68 Ca 0.04 -0.40 0.00 0.00 -0.00 0.00 0.00 57.50 57.14 1qn0 n TRP 68 Cb 0.48 -0.15 0.00 0.00 -0.00 0.00 0.00 31.31 31.64 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 0.75 0.00 -0.09 5.87 4.19 -1.26 -4.58 117.16 122.04 1qn0 n TYR 69 Ca 0.18 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.25 1qn0 n TYR 69 Cb 0.61 0.00 -0.08 0.00 0.49 0.00 0.00 39.34 40.36 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 -0.19 0.45 0.00 2.98 4.81 -1.23 -3.49 118.16 121.50 1qn0 n LYS 70 Ca 0.00 0.11 0.07 0.00 -0.87 0.00 0.00 58.31 57.62 1qn0 n LYS 70 Cb 0.01 -1.35 0.34 0.00 0.02 0.00 0.00 35.03 34.06 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 -3.13 0.59 -0.11 3.15 0.24 -1.23 0.12 118.33 117.95 1qn0 n VAL 71 Ca -0.33 0.15 -0.23 0.00 -2.04 0.00 0.00 64.34 61.88 1qn0 n VAL 71 Cb 0.84 -0.93 -0.08 0.00 -1.47 0.00 0.00 33.84 32.20 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 -1.26 1.23 -1.29 3.34 0.31 -1.26 -4.18 118.33 115.22 1qn0 n VAL 72 Ca 0.07 -0.33 -0.22 0.00 -0.01 0.00 0.00 64.34 63.85 1qn0 n VAL 72 Cb 0.10 -1.76 0.17 0.00 -0.91 0.00 0.00 33.84 31.44 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 -3.94 2.78 -2.61 3.52 8.25 -1.09 -3.59 115.22 118.54 1qn0 n HIS 73 Ca -0.44 -1.93 -0.41 0.00 -0.26 0.00 0.00 57.72 54.68 1qn0 n HIS 73 Cb 0.82 -0.92 -0.03 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.57 6.18 0.32 0.41 1.01 0.32 -4.81 116.67 118.51 1qn0 s ASP 74 Ca 0.56 -0.50 0.17 0.00 0.71 0.00 0.00 52.55 53.48 1qn0 s ASP 74 Cb 0.47 -2.53 0.28 0.00 1.01 0.00 0.00 42.92 42.15 1qn0 s ASP 74 CO 0.08 -1.74 1.54 0.00 0.21 0.00 0.00 175.17 175.26 1qn0 h ALA 75 N 9.91 0.77 -2.29 5.23 0.00 -1.91 -3.36 119.26 127.62 1qn0 h ALA 75 Ca -0.28 -0.41 -0.46 0.00 0.00 0.00 0.00 54.91 53.76 1qn0 h ALA 75 Cb 1.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1qn0 h ALA 75 CO 1.25 0.56 0.37 0.21 0.00 0.00 0.00 179.25 181.64 1qn0 s LYS 76 N -3.16 4.20 0.00 0.00 2.20 -1.26 -4.80 119.74 116.91 1qn0 s LYS 76 Ca 0.03 1.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 1qn0 s LYS 76 Cb 0.08 -2.37 0.00 0.00 -1.51 0.00 0.00 37.83 34.04 1qn0 s LYS 76 CO 0.72 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 176.05 1qn0 n GLY 77 N -0.11 -2.01 0.00 5.54 0.00 -1.26 -4.88 105.19 102.48 1qn0 n GLY 77 Ca 0.06 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 1.43 0.89 0.56 -0.02 0.00 -1.26 -4.82 105.19 101.97 1qn0 n GLY 78 Ca 0.00 -1.90 0.35 0.00 0.00 0.00 0.00 46.02 44.47 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 3.12 -2.89 4.61 0.00 -2.07 -3.40 119.26 118.64 1qn0 h ALA 79 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1qn0 h ALA 79 Cb 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.76 1qn0 h ALA 79 CO 0.00 -1.72 0.08 -1.59 0.00 0.00 0.00 179.25 176.01 1qn0 s LYS 80 N -4.68 1.20 0.77 0.00 -2.85 -1.26 -5.18 119.74 107.75 1qn0 s LYS 80 Ca -0.04 -0.61 -0.13 0.00 -1.00 0.00 0.00 55.97 54.19 1qn0 s LYS 80 Cb 0.19 0.53 0.18 0.00 -2.06 0.00 0.00 37.83 36.68 1qn0 s LYS 80 CO 0.66 -0.50 0.93 -0.35 0.10 0.00 0.00 175.35 176.18 1qn0 n PRO 81 N -0.31 -1.43 -0.91 1.78 -0.04 -1.26 -4.89 135.00 127.94 1qn0 n PRO 81 Ca -0.16 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1qn0 n PRO 81 Cb 0.64 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 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 -3.61 0.00 1.51 0.52 -2.24 -1.26 -4.95 114.28 104.25 1qn0 n THR 82 Ca 0.12 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.03 1qn0 n THR 82 Cb 0.43 0.00 0.75 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.14 0.61 0.18 0.00 2.08 -1.24 -4.03 119.36 115.83 1qn0 n ILE 84 Ca 0.17 -0.20 -0.17 0.00 0.56 0.00 0.00 62.75 63.12 1qn0 n ILE 84 Cb 0.15 -1.26 -0.10 0.00 -0.75 0.00 0.00 39.64 37.69 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 -0.20 -1.49 0.70 4.38 0.02 -1.70 1.76 113.55 117.03 1qn0 h SER 85 Ca -0.26 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1qn0 h SER 85 Cb 1.31 0.53 0.01 0.00 0.14 0.00 0.00 62.40 64.38 1qn0 h SER 85 CO -0.10 -0.59 -0.34 0.00 -1.14 0.00 0.00 176.83 174.66 1qn0 h HIS 87 N -1.01 0.33 -0.06 0.00 -0.00 -1.66 0.65 115.15 113.39 1qn0 h HIS 87 Ca -0.10 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.27 1qn0 h HIS 87 Cb 0.74 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 28.05 1qn0 h HIS 87 CO -0.01 -0.00 -0.02 0.87 -0.00 0.00 0.00 177.93 178.77 1qn0 h LYS 88 N 0.17 0.13 -0.88 2.45 1.57 0.35 -2.05 116.57 118.30 1qn0 h LYS 88 Ca 0.62 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.40 1qn0 h LYS 88 Cb 2.05 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 34.30 1qn0 h LYS 88 CO -0.17 0.46 0.58 0.22 -0.57 0.00 0.00 179.45 179.97 1qn0 h ASP 89 N -0.22 0.91 -0.73 0.86 1.82 0.15 -0.44 116.42 118.78 1qn0 h ASP 89 Ca 0.02 -0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1qn0 h ASP 89 Cb 0.42 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.19 1qn0 h ASP 89 CO 0.01 0.61 0.48 0.11 -1.61 0.00 0.00 179.24 178.83 1qn0 h LYS 90 N 1.05 0.94 0.00 0.28 1.79 -0.62 -3.27 116.57 116.73 1qn0 h LYS 90 Ca 0.37 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 1qn0 h LYS 90 Cb 0.12 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1qn0 h LYS 90 CO -0.12 0.62 0.00 0.00 -1.08 0.00 0.00 179.45 178.87 1qn0 n ALA 91 N -2.30 -0.08 -0.25 3.86 0.00 -0.29 -4.91 120.51 116.53 1qn0 n ALA 91 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1qn0 n ALA 91 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 0.03 2.64 0.16 0.00 0.00 -0.50 -2.92 105.19 104.58 1qn0 n GLY 92 Ca 0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1qn0 n GLY 92 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1qn0 h ASP 93 N 0.00 0.80 -1.24 1.61 3.04 -1.91 -3.43 116.42 115.28 1qn0 h ASP 93 Ca 0.00 -0.79 -0.51 0.00 -3.24 0.00 0.00 57.03 52.48 1qn0 h ASP 93 Cb 0.00 -0.26 -0.02 0.00 -1.04 0.00 0.00 39.33 38.02 1qn0 h ASP 93 CO 0.00 1.61 1.62 -0.67 -2.04 0.00 0.00 179.24 179.75 1qn0 n ASP 94 N -3.73 1.97 0.09 4.15 -0.08 -1.15 -4.75 116.55 113.06 1qn0 n ASP 94 Ca -0.14 -0.17 -0.03 0.00 -1.51 0.00 0.00 54.79 52.95 1qn0 n ASP 94 Cb 1.03 -1.40 0.20 0.00 2.34 0.00 0.00 41.12 43.30 1qn0 n ASP 94 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1qn0 h LYS 95 N 16.58 0.23 -0.26 -0.67 1.57 -1.87 -1.89 116.57 130.26 1qn0 h LYS 95 Ca -0.22 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.36 1qn0 h LYS 95 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1qn0 h LYS 95 CO 1.17 0.64 -0.18 1.49 -0.57 0.00 0.00 179.45 181.99 1qn0 h GLU 96 N 0.19 0.46 0.00 3.15 4.81 -1.97 -2.11 114.58 119.12 1qn0 h GLU 96 Ca 0.01 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 1qn0 h GLU 96 Cb 0.88 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1qn0 h GLU 96 CO 0.07 0.63 -0.56 1.25 -0.73 0.00 0.00 179.01 179.67 1qn0 h LEU 97 N 0.42 0.00 -1.85 1.64 7.12 -1.82 -2.89 115.31 117.93 1qn0 h LEU 97 Ca 0.07 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.05 1qn0 h LEU 97 Cb 0.56 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.67 1qn0 h LEU 97 CO 0.04 0.56 0.04 1.17 -0.13 0.00 0.00 178.44 180.12 1qn0 n LYS 98 N -3.40 1.75 -2.69 1.25 4.81 -0.74 -3.49 118.16 115.65 1qn0 n LYS 98 Ca 0.01 -0.74 -0.06 0.00 -0.87 0.00 0.00 58.31 56.65 1qn0 n LYS 98 Cb 0.68 -1.57 0.04 0.00 0.02 0.00 0.00 35.03 34.20 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 1.87 0.00 1.64 5.02 -1.09 -4.13 118.16 121.61 1qn0 n LYS 99 Ca 0.09 -3.56 0.00 0.00 -2.02 0.00 0.00 58.31 52.81 1qn0 n LYS 99 Cb 0.56 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 -0.47 0.00 0.06 1.97 2.85 -1.23 -4.63 118.16 116.71 1qn0 n LYS 100 Ca 0.13 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.35 1qn0 n LYS 100 Cb 0.82 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 35.12 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 0.00 -0.75 -5.58 3.38 -1.88 -0.87 115.31 109.61 1qn0 h LEU 101 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qn0 h LEU 101 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1qn0 h LEU 101 CO 0.00 0.79 0.00 0.35 0.09 0.00 0.00 178.44 179.67 1qn0 n THR 102 N -3.19 0.00 -1.62 0.22 -2.24 -1.26 -4.85 114.28 101.35 1qn0 n THR 102 Ca -0.04 -0.48 -0.51 0.00 -2.27 0.00 0.00 64.05 60.75 1qn0 n THR 102 Cb 0.89 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 70.09 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 0.22 0.64 0.07 3.38 0.00 -1.25 -4.89 105.19 103.36 1qn0 n GLY 103 Ca 0.00 0.71 -0.14 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.59 2.79 -0.20 0.00 2.20 -1.26 -4.69 119.74 115.99 1qn0 s LYS 105 Ca -0.18 -0.78 -0.01 0.00 -0.36 0.00 0.00 55.97 54.64 1qn0 s LYS 105 Cb -0.02 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 1qn0 s LYS 105 CO 0.67 0.04 0.17 0.41 -0.36 0.00 0.00 175.35 176.29 1qn0 n GLY 106 N 3.90 0.54 3.85 5.54 0.00 -0.53 -5.04 105.19 113.45 1qn0 n GLY 106 Ca -0.20 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.12 4.66 0.00 1.61 1.04 -0.06 -4.80 113.70 113.03 1qn0 s SER 107 Ca 0.05 -1.11 0.12 0.00 0.48 0.00 0.00 55.95 55.49 1qn0 s SER 107 Cb -0.02 -0.02 0.52 0.00 0.10 0.00 0.00 66.02 66.61 1qn0 s SER 107 CO 0.11 -0.86 1.37 0.00 0.98 0.00 0.00 173.24 174.84 1qn0 n ALA 108 N -1.57 1.57 -0.12 5.32 0.00 -0.33 -2.35 120.51 123.02 1qn0 n ALA 108 Ca -0.01 -0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1qn0 n ALA 108 Cb 0.64 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.47 3.51 -1.24 0.00 4.02 -1.01 -4.54 115.29 113.57 1qn0 s HIS 110 Ca -0.34 -3.16 -0.08 0.00 1.02 0.00 0.00 55.06 52.50 1qn0 s HIS 110 Cb 0.11 -2.90 0.20 0.00 -1.02 0.00 0.00 32.58 28.96 1qn0 s HIS 110 CO 0.49 -0.67 1.78 -0.35 1.02 0.00 0.00 174.74 177.01 1qn0 n PRO 111 N 2.52 3.80 0.00 8.40 -0.04 -0.99 -0.88 135.00 147.81 1qn0 n PRO 111 Ca 0.15 -3.76 0.00 0.00 -0.04 0.00 0.00 63.50 59.85 1qn0 n PRO 111 Cb 0.35 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 1qn0 n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89