#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 -1.85 -4.68 -1.34 8.00 -1.26 -4.91 116.55 110.50 1qn0 n ASP 2 Ca 0.00 0.00 -0.49 0.00 0.71 0.00 0.00 54.79 55.01 1qn0 n ASP 2 Cb 0.00 -0.93 -0.05 0.00 -0.02 0.00 0.00 41.12 40.12 1qn0 n ASP 2 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1qn0 n VAL 3 N -0.14 0.56 -0.96 2.53 3.14 -1.26 -4.89 118.33 117.32 1qn0 n VAL 3 Ca 0.00 -0.10 -0.37 0.00 -2.96 0.00 0.00 64.34 60.91 1qn0 n VAL 3 Cb 0.00 -1.83 0.05 0.00 -1.06 0.00 0.00 33.84 31.00 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 6.57 -0.15 -2.92 1.45 -0.02 -1.26 -4.90 135.00 133.76 1qn0 n PRO 4 Ca 0.23 -0.04 -0.33 0.00 -2.02 0.00 0.00 63.50 61.34 1qn0 n PRO 4 Cb 0.28 -1.12 -0.07 0.00 -0.02 0.00 0.00 33.50 32.58 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 -2.05 3.13 0.85 3.55 0.00 -1.26 -4.75 121.76 121.24 1qn0 s ALA 5 Ca 0.41 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1qn0 s ALA 5 Cb -0.05 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1qn0 s ALA 5 CO 0.73 0.19 0.00 -0.40 0.00 0.00 0.00 175.76 176.28 1qn0 n ASP 6 N -0.57 -0.94 -2.96 0.00 5.75 -1.26 -4.47 116.55 112.10 1qn0 n ASP 6 Ca 0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.68 1qn0 n ASP 6 Cb 0.54 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.70 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 -0.22 3.86 6.12 0.00 -1.23 -4.99 105.19 108.73 1qn0 n GLY 7 Ca 0.00 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.27 3.86 -0.08 4.61 0.00 -1.01 -4.97 121.76 120.90 1qn0 s ALA 8 Ca 0.20 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1qn0 s ALA 8 Cb -0.09 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 1qn0 s ALA 8 CO 0.58 0.56 -0.11 0.15 0.00 0.00 0.00 175.76 176.94 1qn0 s LYS 9 N -0.85 2.85 -0.16 0.00 1.02 -1.26 0.59 119.74 121.93 1qn0 s LYS 9 Ca 0.14 -0.64 -0.01 0.00 0.02 0.00 0.00 55.97 55.49 1qn0 s LYS 9 Cb -0.12 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 1qn0 s LYS 9 CO 0.03 0.52 -0.13 0.42 -0.92 0.00 0.00 175.35 175.27 1qn0 s ILE 10 N -0.43 2.91 -0.33 2.17 1.01 0.31 -4.96 121.20 121.87 1qn0 s ILE 10 Ca 0.06 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.07 1qn0 s ILE 10 Cb -0.12 -2.25 0.19 0.00 0.01 0.00 0.00 42.46 40.29 1qn0 s ILE 10 CO 0.02 0.50 0.64 -0.62 0.00 0.00 0.00 174.94 175.49 1qn0 s ASP 11 N 0.80 -1.50 -0.02 3.58 2.15 -1.26 -1.95 116.67 118.47 1qn0 s ASP 11 Ca -0.05 -0.17 0.02 0.00 0.43 0.00 0.00 52.55 52.79 1qn0 s ASP 11 Cb -0.15 1.92 -0.03 0.00 -0.30 0.00 0.00 42.92 44.36 1qn0 s ASP 11 CO 0.01 -0.23 0.01 0.49 -0.17 0.00 0.00 175.17 175.27 1qn0 n PHE 12 N 5.00 0.00 -2.71 -5.34 3.72 -1.26 -4.83 117.46 112.03 1qn0 n PHE 12 Ca 0.07 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.04 1qn0 n PHE 12 Cb 0.56 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1qn0 n PHE 12 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1qn0 n ILE 13 N -2.09 4.14 -0.75 4.37 5.41 -1.26 -4.99 119.36 124.20 1qn0 n ILE 13 Ca -0.04 -4.44 -0.30 0.00 1.00 0.00 0.00 62.75 58.97 1qn0 n ILE 13 Cb 0.58 -2.43 0.12 0.00 -0.71 0.00 0.00 39.64 37.19 1qn0 n ILE 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qn0 n ALA 14 N 6.17 -3.62 0.00 -1.39 0.00 -1.26 -4.77 120.51 115.64 1qn0 n ALA 14 Ca 0.41 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1qn0 n ALA 14 Cb 0.43 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1qn0 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qn0 n GLY 15 N 2.60 -1.42 7.00 0.00 0.00 -1.26 -4.96 105.19 107.15 1qn0 n GLY 15 Ca 0.01 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 1.67 1.54 -0.02 0.00 -1.26 -1.93 105.19 105.18 1qn0 n GLY 16 Ca 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 5.10 2.05 -2.65 1.61 -0.58 -1.26 -4.00 120.64 120.90 1qn0 n GLU 17 Ca 0.00 -1.61 -0.10 0.00 -0.42 0.00 0.00 57.16 55.03 1qn0 n GLU 17 Cb 0.00 -1.70 0.03 0.00 -0.57 0.00 0.00 31.44 29.20 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 -0.18 1.25 -3.85 3.49 2.85 -0.81 -5.08 118.16 115.83 1qn0 n LYS 18 Ca 0.27 -3.31 -0.35 0.00 -1.05 0.00 0.00 58.31 53.87 1qn0 n LYS 18 Cb 1.02 -1.29 -0.08 0.00 -0.65 0.00 0.00 35.03 34.03 1qn0 n LYS 18 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1qn0 s ASN 19 N -3.14 6.05 0.14 -5.58 4.22 -1.22 -4.81 114.94 110.59 1qn0 s ASN 19 Ca 0.28 0.23 -0.30 0.00 -2.14 0.00 0.00 52.86 50.93 1qn0 s ASN 19 Cb 0.46 -2.03 -0.07 0.00 1.28 0.00 0.00 41.25 40.89 1qn0 s ASN 19 CO 0.03 0.22 1.05 -0.76 -2.04 0.00 0.00 177.10 175.60 1qn0 s LEU 20 N 0.10 4.48 -0.24 3.54 1.43 -1.26 -5.03 118.68 121.69 1qn0 s LEU 20 Ca 0.08 1.96 0.02 0.00 -1.03 0.00 0.00 54.13 55.15 1qn0 s LEU 20 Cb -0.12 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.56 1qn0 s LEU 20 CO -0.00 -0.19 -0.12 -0.89 0.23 0.00 0.00 176.35 175.38 1qn0 s THR 21 N 0.01 2.27 -0.01 5.49 2.01 -1.26 -4.76 115.64 119.38 1qn0 s THR 21 Ca 0.49 -1.40 -0.16 0.00 0.31 0.00 0.00 61.69 60.94 1qn0 s THR 21 Cb -0.27 -2.23 -0.06 0.00 0.01 0.00 0.00 72.50 69.96 1qn0 s THR 21 CO 0.32 0.12 0.43 -0.69 -0.69 0.00 0.00 174.62 174.11 1qn0 s VAL 22 N 1.18 5.02 -0.11 3.82 1.01 -0.82 -4.87 120.40 125.62 1qn0 s VAL 22 Ca -0.05 0.89 -0.05 0.00 0.00 0.00 0.00 61.98 62.77 1qn0 s VAL 22 Cb -0.18 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1qn0 s VAL 22 CO -0.07 0.55 0.08 -0.69 0.00 0.00 0.00 175.10 174.97 1qn0 s VAL 23 N -0.88 4.95 0.44 2.92 1.01 -1.26 0.11 120.40 127.70 1qn0 s VAL 23 Ca 0.24 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1qn0 s VAL 23 Cb -0.17 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1qn0 s VAL 23 CO 0.13 0.60 0.05 0.12 0.00 0.00 0.00 175.10 176.00 1qn0 s PHE 24 N -0.87 1.96 -0.30 5.22 5.36 0.20 -4.91 117.98 124.64 1qn0 s PHE 24 Ca 0.13 -1.00 -0.11 0.00 -0.96 0.00 0.00 56.93 54.99 1qn0 s PHE 24 Cb -0.12 -1.47 0.12 0.00 -0.34 0.00 0.00 43.02 41.22 1qn0 s PHE 24 CO 0.03 0.09 0.68 0.54 -1.46 0.00 0.00 175.22 175.10 1qn0 s ASN 25 N -3.73 -1.07 0.47 6.13 2.20 -1.26 -2.40 114.94 115.28 1qn0 s ASN 25 Ca 0.19 1.51 0.28 0.00 -0.94 0.00 0.00 52.86 53.91 1qn0 s ASN 25 Cb 0.04 2.11 0.87 0.00 -2.00 0.00 0.00 41.25 42.27 1qn0 s ASN 25 CO 0.10 -0.22 1.80 0.45 -2.94 0.00 0.00 177.10 176.29 1qn0 h HIS 26 N 7.78 0.00 -0.25 1.54 3.86 -1.87 -2.60 115.15 123.60 1qn0 h HIS 26 Ca -0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1qn0 h HIS 26 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1qn0 h HIS 26 CO 0.14 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.80 1qn0 n SER 27 N -3.01 2.31 -0.04 2.45 3.41 -1.26 -3.19 113.62 114.28 1qn0 n SER 27 Ca 0.02 -2.21 -0.05 0.00 -0.26 0.00 0.00 58.87 56.38 1qn0 n SER 27 Cb 0.41 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.29 0.51 -1.16 6.66 -1.04 -0.98 -4.57 114.28 113.98 1qn0 n THR 28 Ca 0.10 -0.27 -0.03 0.00 -2.04 0.00 0.00 64.05 61.82 1qn0 n THR 28 Cb 0.46 -0.82 0.25 0.00 -1.82 0.00 0.00 70.33 68.41 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 -2.46 1.70 0.32 -1.42 8.25 -1.23 -4.55 115.22 115.84 1qn0 n HIS 29 Ca -0.13 -1.28 0.18 0.00 -0.26 0.00 0.00 57.72 56.23 1qn0 n HIS 29 Cb 0.71 -0.55 0.98 0.00 1.12 0.00 0.00 29.99 32.26 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 1.82 0.00 -0.01 -0.41 5.09 -1.79 1.61 116.57 122.88 1qn0 h LYS 30 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.95 1qn0 h LYS 30 Cb 1.94 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.27 1qn0 h LYS 30 CO 0.53 0.00 -0.05 -3.47 -2.09 0.00 0.00 179.45 174.37 1qn0 n ASP 31 N -2.91 0.97 -4.42 7.07 -0.08 -1.26 -4.76 116.55 111.15 1qn0 n ASP 31 Ca -0.02 -1.18 -0.33 0.00 -1.51 0.00 0.00 54.79 51.74 1qn0 n ASP 31 Cb 0.21 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.54 1qn0 n ASP 31 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1qn0 s VAL 32 N -2.13 3.46 0.82 5.18 1.01 0.55 -5.09 120.40 124.20 1qn0 s VAL 32 Ca 0.37 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 1qn0 s VAL 32 Cb 0.21 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1qn0 s VAL 32 CO 0.38 0.50 0.44 0.29 0.00 0.00 0.00 175.10 176.71 1qn0 n LYS 33 N 3.67 0.06 -0.04 2.72 4.76 -1.26 -4.87 118.16 123.20 1qn0 n LYS 33 Ca -0.18 0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.18 1qn0 n LYS 33 Cb 0.52 -1.81 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 1qn0 n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qn0 n ASP 35 N -3.97 0.00 0.25 0.00 5.75 -1.26 -0.53 116.55 116.79 1qn0 n ASP 35 Ca -0.05 0.19 0.17 0.00 -0.01 0.00 0.00 54.79 55.08 1qn0 n ASP 35 Cb 0.66 -0.35 0.75 0.00 -1.03 0.00 0.00 41.12 41.15 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 3.58 -1.74 -3.35 116.42 113.80 1qn0 h ASP 36 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1qn0 h ASP 36 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1qn0 h ASP 36 CO 0.00 0.00 -0.48 0.00 -2.88 0.00 0.00 179.24 175.88 1qn0 s HIS 38 N -1.87 2.62 -0.62 0.00 3.76 0.31 -4.77 115.29 114.72 1qn0 s HIS 38 Ca 0.00 -1.22 -0.02 0.00 -0.15 0.00 0.00 55.06 53.67 1qn0 s HIS 38 Cb 0.00 -4.64 0.28 0.00 1.11 0.00 0.00 32.58 29.34 1qn0 s HIS 38 CO 0.00 -1.74 2.21 -2.39 -0.85 0.00 0.00 174.74 171.97 1qn0 n HIS 39 N 9.36 2.48 -4.31 1.40 -0.00 -1.26 -4.30 115.22 118.59 1qn0 n HIS 39 Ca 0.46 -2.36 -0.35 0.00 -0.00 0.00 0.00 57.72 55.48 1qn0 n HIS 39 Cb 0.47 -1.27 -0.10 0.00 -0.00 0.00 0.00 29.99 29.08 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 -3.07 3.35 0.30 -1.40 1.11 -1.25 -5.10 119.66 113.59 1qn0 s GLN 40 Ca 0.54 -0.42 -0.16 0.00 0.01 0.00 0.00 55.36 55.32 1qn0 s GLN 40 Cb 0.41 -2.91 -0.09 0.00 -1.01 0.00 0.00 33.01 29.42 1qn0 s GLN 40 CO -0.20 0.51 0.73 -1.25 0.01 0.00 0.00 175.29 175.09 1qn0 s PRO 41 N -0.33 4.07 0.00 2.91 0.04 -1.26 -4.21 135.00 136.22 1qn0 s PRO 41 Ca 0.07 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1qn0 s PRO 41 Cb -0.12 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1qn0 s PRO 41 CO 0.02 0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.69 1qn0 n GLY 42 N -0.08 1.80 0.23 0.56 0.00 -1.26 -4.56 105.19 101.88 1qn0 n GLY 42 Ca 0.02 -1.98 0.15 0.00 0.00 0.00 0.00 46.02 44.20 1qn0 n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qn0 h ASP 43 N 0.00 0.00 -0.58 1.61 3.32 -2.03 -0.19 116.42 118.55 1qn0 h ASP 43 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1qn0 h ASP 43 Cb 0.00 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.38 1qn0 h ASP 43 CO 0.00 0.00 0.46 2.29 -1.72 0.00 0.00 179.24 180.27 1qn0 n LYS 44 N -2.53 1.89 -0.61 3.56 2.85 -1.26 -4.58 118.16 117.47 1qn0 n LYS 44 Ca -0.02 -1.85 0.49 0.00 -1.05 0.00 0.00 58.31 55.88 1qn0 n LYS 44 Cb 0.09 -1.73 0.79 0.00 -0.65 0.00 0.00 35.03 33.53 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 1.20 0.00 -4.04 -1.58 4.15 -1.19 -3.03 115.11 110.61 1qn0 h GLN 45 Ca 0.36 0.00 -0.73 0.00 0.77 0.00 0.00 58.65 59.05 1qn0 h GLN 45 Cb 1.35 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 28.74 1qn0 h GLN 45 CO 0.82 0.00 -0.28 0.71 -1.93 0.00 0.00 178.83 178.15 1qn0 s TYR 46 N -4.84 3.48 0.30 3.99 2.02 -1.26 -3.88 117.35 117.15 1qn0 s TYR 46 Ca -0.05 -2.05 0.03 0.00 -0.37 0.00 0.00 57.07 54.63 1qn0 s TYR 46 Cb 0.25 -3.52 -0.01 0.00 -0.40 0.00 0.00 41.96 38.29 1qn0 s TYR 46 CO 0.85 -0.96 0.11 0.00 -1.57 0.00 0.00 175.55 173.98 1qn0 n ALA 47 N 4.44 0.43 -1.78 3.71 0.00 -1.15 -5.14 120.51 121.02 1qn0 n ALA 47 Ca -0.01 -1.53 -0.37 0.00 0.00 0.00 0.00 53.44 51.54 1qn0 n ALA 47 Cb 0.41 1.03 -0.04 0.00 0.00 0.00 0.00 19.45 20.86 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 -2.85 2.77 0.07 0.00 0.00 -1.26 -4.95 107.32 101.10 1qn0 s GLY 48 Ca 0.16 0.74 0.02 0.00 0.00 0.00 0.00 44.72 45.63 1qn0 s GLY 48 CO 0.11 1.18 1.12 0.00 0.00 0.00 0.00 173.10 175.52 1qn0 n THR 50 N -3.41 1.26 -1.51 0.00 -2.24 -1.26 -1.40 114.28 105.72 1qn0 n THR 50 Ca -0.07 -0.64 -0.33 0.00 -2.27 0.00 0.00 64.05 60.75 1qn0 n THR 50 Cb 0.99 -0.40 0.07 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.80 2.97 0.74 4.28 2.01 -1.19 -3.91 115.64 118.73 1qn0 s THR 51 Ca 0.25 0.42 -0.15 0.00 0.31 0.00 0.00 61.69 62.51 1qn0 s THR 51 Cb 0.19 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.81 1qn0 s THR 51 CO 0.07 -0.31 0.99 -0.90 -0.69 0.00 0.00 174.62 173.78 1qn0 n ASP 52 N -2.83 0.51 -1.22 3.53 5.75 -1.26 -1.46 116.55 119.56 1qn0 n ASP 52 Ca 0.11 0.65 -0.14 0.00 -0.01 0.00 0.00 54.79 55.39 1qn0 n ASP 52 Cb 0.52 -1.42 -0.06 0.00 -1.03 0.00 0.00 41.12 39.13 1qn0 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qn0 n GLY 53 N 1.03 1.38 0.00 6.12 0.00 -1.26 -4.82 105.19 107.64 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 2.09 -1.88 0.00 8.25 -0.49 -4.61 115.22 118.58 1qn0 n HIS 55 Ca 0.00 -2.14 -0.41 0.00 -0.26 0.00 0.00 57.72 54.91 1qn0 n HIS 55 Cb 0.00 -1.28 -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 0.28 6.67 -3.80 0.41 2.85 -1.21 -4.00 115.26 116.45 1qn0 n ASN 56 Ca 0.49 -2.95 -0.29 0.00 -0.11 0.00 0.00 54.58 51.72 1qn0 n ASN 56 Cb 0.48 -1.49 -0.16 0.00 1.24 0.00 0.00 39.78 39.85 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 0.80 0.88 -1.70 -1.44 -1.09 -1.22 -4.96 121.20 112.47 1qn0 s ILE 57 Ca 0.52 -0.86 0.21 0.00 -2.23 0.00 0.00 60.65 58.29 1qn0 s ILE 57 Cb 0.15 -1.34 0.63 0.00 -1.58 0.00 0.00 42.46 40.32 1qn0 s ILE 57 CO -0.06 -0.23 1.53 0.18 -1.23 0.00 0.00 174.94 175.13 1qn0 n LEU 58 N 4.91 4.01 -4.00 2.97 4.77 -1.26 -3.75 117.00 124.64 1qn0 n LEU 58 Ca -0.09 -2.09 -0.42 0.00 -0.03 0.00 0.00 56.01 53.38 1qn0 n LEU 58 Cb 0.46 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1qn0 n LEU 58 CO 0.14 0.93 0.99 -0.90 -1.33 0.00 0.00 177.39 177.22 1qn0 n ASP 59 N 1.43 6.05 -4.04 -1.43 5.68 -1.26 -4.91 116.55 118.06 1qn0 n ASP 59 Ca 0.23 -3.37 -0.36 0.00 -0.50 0.00 0.00 54.79 50.79 1qn0 n ASP 59 Cb 0.65 -1.23 0.04 0.00 -1.14 0.00 0.00 41.12 39.44 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 1.46 -0.00 -3.27 0.11 4.81 -1.26 -3.04 118.16 116.96 1qn0 n LYS 60 Ca 0.26 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.53 1qn0 n LYS 60 Cb 0.35 -1.01 0.07 0.00 0.02 0.00 0.00 35.03 34.45 1qn0 n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qn0 n ALA 61 N -2.36 -1.32 -2.12 3.14 0.00 -1.26 -5.02 120.51 111.57 1qn0 n ALA 61 Ca -0.00 0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.38 1qn0 n ALA 61 Cb 0.55 -3.37 0.03 0.00 0.00 0.00 0.00 19.45 16.66 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 -3.65 5.08 -0.56 0.00 2.15 -1.17 -5.09 116.67 113.44 1qn0 s ASP 62 Ca 0.25 -0.86 0.04 0.00 0.43 0.00 0.00 52.55 52.41 1qn0 s ASP 62 Cb -0.11 0.12 0.15 0.00 -0.30 0.00 0.00 42.92 42.78 1qn0 s ASP 62 CO 0.59 -1.16 0.36 -0.54 -0.17 0.00 0.00 175.17 174.25 1qn0 s LYS 63 N -4.50 1.84 -0.12 4.34 3.01 -1.26 -5.03 119.74 118.01 1qn0 s LYS 63 Ca 0.54 -2.69 -0.33 0.00 -1.01 0.00 0.00 55.97 52.48 1qn0 s LYS 63 Cb -0.05 -2.82 0.13 0.00 -1.01 0.00 0.00 37.83 34.08 1qn0 s LYS 63 CO 0.34 -1.24 1.26 0.45 0.51 0.00 0.00 175.35 176.67 1qn0 s SER 64 N -0.56 -0.09 -0.16 2.83 0.15 -1.26 -5.00 113.70 109.61 1qn0 s SER 64 Ca 0.23 -0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.87 1qn0 s SER 64 Cb -0.12 0.14 0.37 0.00 -1.71 0.00 0.00 66.02 64.70 1qn0 s SER 64 CO -0.10 -0.24 1.26 0.55 1.20 0.00 0.00 173.24 175.90 1qn0 n VAL 65 N -0.26 1.67 -0.00 4.45 3.14 -1.26 -3.34 118.33 122.72 1qn0 n VAL 65 Ca -0.03 -0.79 0.00 0.00 -2.96 0.00 0.00 64.34 60.55 1qn0 n VAL 65 Cb 0.60 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.84 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 0.05 1.98 -4.73 6.55 4.13 -1.26 -4.85 115.26 117.12 1qn0 n ASN 66 Ca 0.20 -1.98 -0.41 0.00 1.68 0.00 0.00 54.58 54.07 1qn0 n ASN 66 Cb 0.87 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 39.07 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 -0.98 7.27 -0.06 6.41 1.04 -1.21 -3.46 113.70 122.71 1qn0 s SER 67 Ca 0.00 2.03 0.14 0.00 0.48 0.00 0.00 55.95 58.59 1qn0 s SER 67 Cb 0.00 -2.60 0.49 0.00 0.10 0.00 0.00 66.02 64.01 1qn0 s SER 67 CO 0.00 -0.24 1.37 1.87 0.98 0.00 0.00 173.24 177.22 1qn0 n TRP 68 N 2.69 0.94 0.06 5.02 -0.00 -1.25 -3.43 117.44 121.47 1qn0 n TRP 68 Ca 0.04 -0.40 0.01 0.00 -0.00 0.00 0.00 57.50 57.15 1qn0 n TRP 68 Cb 0.47 -0.13 -0.01 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 0.80 0.00 -0.12 5.87 4.19 -1.26 -4.52 117.16 122.12 1qn0 n TYR 69 Ca 0.18 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 61.15 1qn0 n TYR 69 Cb 0.59 -0.00 -0.11 0.00 0.49 0.00 0.00 39.34 40.31 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 -1.09 0.63 0.00 2.98 4.81 -1.23 -2.67 118.16 121.59 1qn0 n LYS 70 Ca 0.00 0.25 0.03 0.00 -0.87 0.00 0.00 58.31 57.72 1qn0 n LYS 70 Cb 0.02 -1.55 0.15 0.00 0.02 0.00 0.00 35.03 33.68 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 -3.78 1.35 -0.11 3.15 0.24 -1.22 0.20 118.33 118.15 1qn0 n VAL 71 Ca -0.47 0.34 -0.21 0.00 -2.04 0.00 0.00 64.34 61.96 1qn0 n VAL 71 Cb 0.93 -1.22 -0.09 0.00 -1.47 0.00 0.00 33.84 31.99 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 1.24 -1.32 3.34 0.31 -1.26 -4.25 118.33 114.95 1qn0 n VAL 72 Ca 0.02 -0.38 -0.21 0.00 -0.01 0.00 0.00 64.34 63.77 1qn0 n VAL 72 Cb 0.07 -1.59 0.17 0.00 -0.91 0.00 0.00 33.84 31.57 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 -3.67 2.63 -2.79 3.52 8.25 -0.92 -3.68 115.22 118.56 1qn0 n HIS 73 Ca -0.42 -1.97 -0.43 0.00 -0.26 0.00 0.00 57.72 54.64 1qn0 n HIS 73 Cb 0.85 -0.90 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.73 6.41 0.40 0.41 1.01 0.54 -4.86 116.67 118.86 1qn0 s ASP 74 Ca 0.55 -0.12 0.22 0.00 0.71 0.00 0.00 52.55 53.91 1qn0 s ASP 74 Cb 0.47 -2.46 0.43 0.00 1.01 0.00 0.00 42.92 42.37 1qn0 s ASP 74 CO 0.06 -1.20 1.62 0.00 0.21 0.00 0.00 175.17 175.87 1qn0 h ALA 75 N 9.26 0.90 -4.39 5.23 0.00 -1.91 -3.34 119.26 125.01 1qn0 h ALA 75 Ca -0.25 -0.18 -0.70 0.00 0.00 0.00 0.00 54.91 53.79 1qn0 h ALA 75 Cb 1.07 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.56 1qn0 h ALA 75 CO 1.08 0.24 -0.86 0.21 0.00 0.00 0.00 179.25 179.92 1qn0 s LYS 76 N -3.24 2.11 -0.29 0.00 2.20 -1.26 -4.73 119.74 114.53 1qn0 s LYS 76 Ca 0.05 -0.93 -0.22 0.00 -0.36 0.00 0.00 55.97 54.50 1qn0 s LYS 76 Cb 0.07 -2.10 0.17 0.00 -1.51 0.00 0.00 37.83 34.46 1qn0 s LYS 76 CO 0.68 0.56 1.24 0.20 -0.36 0.00 0.00 175.35 177.67 1qn0 s GLY 77 N -0.84 0.23 -0.03 5.54 0.00 -1.26 -4.99 107.32 105.98 1qn0 s GLY 77 Ca 0.11 3.32 -0.03 0.00 0.00 0.00 0.00 44.72 48.12 1qn0 s GLY 77 CO 0.00 2.16 -0.07 0.61 0.00 0.00 0.00 173.10 175.81 1qn0 n GLY 78 N 2.32 -0.34 0.34 0.20 0.00 -1.26 -4.63 105.19 101.83 1qn0 n GLY 78 Ca -0.13 -0.06 0.16 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 -2.95 0.54 -3.44 4.61 0.00 -1.26 -4.64 120.51 113.37 1qn0 n ALA 79 Ca -0.03 1.07 -0.12 0.00 0.00 0.00 0.00 53.44 54.36 1qn0 n ALA 79 Cb 0.10 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 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 -5.97 1.19 0.87 0.00 -2.85 -1.26 -5.18 119.74 106.54 1qn0 s LYS 80 Ca -0.13 -0.40 -0.15 0.00 -1.00 0.00 0.00 55.97 54.30 1qn0 s LYS 80 Cb 0.30 0.55 0.20 0.00 -2.06 0.00 0.00 37.83 36.81 1qn0 s LYS 80 CO 0.78 -0.51 1.19 -0.35 0.10 0.00 0.00 175.35 176.55 1qn0 n PRO 81 N -0.28 -1.14 -0.89 1.78 -0.04 -1.26 -4.58 135.00 128.58 1qn0 n PRO 81 Ca -0.16 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1qn0 n PRO 81 Cb 0.64 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 -3.62 0.00 1.43 0.52 -2.24 -1.26 -4.95 114.28 104.16 1qn0 n THR 82 Ca 0.15 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.07 1qn0 n THR 82 Cb 0.52 0.00 0.73 0.00 -2.10 0.00 0.00 70.33 69.48 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 -1.21 0.73 0.22 0.00 2.08 -1.24 -3.99 119.36 115.94 1qn0 n ILE 84 Ca 0.15 -0.24 -0.17 0.00 0.56 0.00 0.00 62.75 63.05 1qn0 n ILE 84 Cb 0.19 -1.25 -0.10 0.00 -0.75 0.00 0.00 39.64 37.73 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 -1.44 0.87 4.38 0.02 -1.67 1.89 113.55 117.39 1qn0 h SER 85 Ca -0.31 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 1qn0 h SER 85 Cb 1.38 0.50 0.01 0.00 0.14 0.00 0.00 62.40 64.43 1qn0 h SER 85 CO -0.11 -0.61 -0.42 0.00 -1.14 0.00 0.00 176.83 174.55 1qn0 h HIS 87 N -1.20 0.77 -0.16 0.00 -0.00 -1.66 0.69 115.15 113.60 1qn0 h HIS 87 Ca -0.12 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1qn0 h HIS 87 Cb 0.90 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.09 1qn0 h HIS 87 CO -0.01 -0.05 0.10 0.87 -0.00 0.00 0.00 177.93 178.85 1qn0 h LYS 88 N 0.36 0.22 -0.96 2.45 1.57 0.36 -0.31 116.57 120.26 1qn0 h LYS 88 Ca 0.68 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.53 1qn0 h LYS 88 Cb 1.69 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.88 1qn0 h LYS 88 CO -0.43 0.16 0.60 0.22 -0.57 0.00 0.00 179.45 179.43 1qn0 h ASP 89 N 0.21 0.94 -0.84 0.86 1.82 0.13 0.49 116.42 120.03 1qn0 h ASP 89 Ca 0.06 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 1qn0 h ASP 89 Cb -0.00 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 39.80 1qn0 h ASP 89 CO -0.01 0.57 0.45 0.11 -1.61 0.00 0.00 179.24 178.75 1qn0 h LYS 90 N 1.06 1.18 -0.75 0.28 1.79 -0.42 -0.60 116.57 119.11 1qn0 h LYS 90 Ca 0.43 -0.15 -0.10 0.00 -2.18 0.00 0.00 60.65 58.66 1qn0 h LYS 90 Cb 0.26 -0.23 -0.06 0.00 -1.58 0.00 0.00 32.23 30.63 1qn0 h LYS 90 CO -0.20 0.88 0.13 0.00 -1.08 0.00 0.00 179.45 179.17 1qn0 n ALA 91 N -2.39 3.93 -1.72 3.86 0.00 -0.02 -4.66 120.51 119.50 1qn0 n ALA 91 Ca 0.08 -1.70 -0.40 0.00 0.00 0.00 0.00 53.44 51.43 1qn0 n ALA 91 Cb 0.10 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 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 0.18 4.76 0.00 0.00 0.00 0.15 -4.03 105.19 106.24 1qn0 n GLY 92 Ca 0.28 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 2.83 0.00 -4.69 1.61 5.75 -1.26 -5.02 116.55 115.77 1qn0 n ASP 93 Ca 0.67 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 55.03 1qn0 n ASP 93 Cb 0.25 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.32 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 7.21 0.10 -1.12 -1.08 -1.26 -4.92 116.67 115.60 1qn0 s ASP 94 Ca 0.00 1.56 -0.13 0.00 -0.52 0.00 0.00 52.55 53.46 1qn0 s ASP 94 Cb 0.00 -2.56 -0.16 0.00 -1.46 0.00 0.00 42.92 38.74 1qn0 s ASP 94 CO 0.00 -0.48 1.30 0.11 0.52 0.00 0.00 175.17 176.61 1qn0 h LYS 95 N 7.17 0.78 0.00 4.34 1.57 -1.98 -2.90 116.57 125.55 1qn0 h LYS 95 Ca -0.31 -0.64 -0.04 0.00 -1.87 0.00 0.00 60.65 57.80 1qn0 h LYS 95 Cb 1.14 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1qn0 h LYS 95 CO 0.87 1.24 -0.19 1.49 -0.57 0.00 0.00 179.45 182.29 1qn0 h GLU 96 N 0.51 0.00 0.00 3.15 4.81 -1.96 -0.59 114.58 120.49 1qn0 h GLU 96 Ca -0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1qn0 h GLU 96 Cb 1.39 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.77 1qn0 h GLU 96 CO 0.16 0.19 -0.06 1.25 -0.73 0.00 0.00 179.01 179.81 1qn0 h LEU 97 N 0.00 0.00 -2.00 1.64 7.12 -1.89 -2.79 115.31 117.40 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 0.42 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.52 1qn0 h LEU 97 CO 0.02 0.06 0.05 1.17 -0.13 0.00 0.00 178.44 179.62 1qn0 n LYS 98 N -3.14 1.97 -2.71 1.25 4.81 -0.23 -3.54 118.16 116.57 1qn0 n LYS 98 Ca 0.02 -0.94 -0.06 0.00 -0.87 0.00 0.00 58.31 56.46 1qn0 n LYS 98 Cb 0.46 -1.63 0.04 0.00 0.02 0.00 0.00 35.03 33.91 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 1.41 0.00 1.64 4.01 -1.05 -3.92 118.16 120.39 1qn0 n LYS 99 Ca 0.11 -3.37 0.00 0.00 -0.51 0.00 0.00 58.31 54.54 1qn0 n LYS 99 Cb 0.62 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.75 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 -0.26 0.00 -0.03 1.97 2.85 -1.24 -4.69 118.16 116.76 1qn0 n LYS 100 Ca 0.09 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.24 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 1.28 -0.05 0.00 0.00 177.40 178.63 1qn0 n LEU 101 N -1.78 1.17 0.00 -5.58 4.77 -1.23 -0.56 117.00 113.79 1qn0 n LEU 101 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1qn0 n LEU 101 Cb 0.00 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1qn0 n LEU 101 CO 0.00 0.51 0.32 0.35 -1.33 0.00 0.00 177.39 177.24 1qn0 n THR 102 N -3.10 0.29 -1.64 -5.08 -2.24 -1.26 -4.89 114.28 96.37 1qn0 n THR 102 Ca -0.23 -0.64 -0.45 0.00 -2.27 0.00 0.00 64.05 60.46 1qn0 n THR 102 Cb 1.06 0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 70.11 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 -0.15 1.47 0.15 3.38 0.00 -1.25 -4.86 105.19 103.93 1qn0 n GLY 103 Ca 0.00 0.84 -0.14 0.00 0.00 0.00 0.00 46.02 46.72 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 -5.95 2.06 -0.17 0.00 -2.85 -1.26 -4.71 119.74 106.87 1qn0 s LYS 105 Ca -0.15 -0.66 -0.01 0.00 -1.00 0.00 0.00 55.97 54.15 1qn0 s LYS 105 Cb 0.05 -1.73 0.00 0.00 -2.06 0.00 0.00 37.83 34.09 1qn0 s LYS 105 CO 0.64 0.23 0.14 0.41 0.10 0.00 0.00 175.35 176.87 1qn0 n GLY 106 N 3.26 0.53 3.62 0.59 0.00 -0.38 -5.01 105.19 107.80 1qn0 n GLY 106 Ca -0.19 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1qn0 n GLY 106 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qn0 n SER 107 N -0.26 3.34 0.00 1.61 3.41 -0.62 -4.69 113.62 116.41 1qn0 n SER 107 Ca -0.02 -3.18 0.11 0.00 -0.26 0.00 0.00 58.87 55.52 1qn0 n SER 107 Cb 0.52 0.32 0.58 0.00 -0.26 0.00 0.00 64.21 65.37 1qn0 n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qn0 n ALA 108 N -1.44 2.19 -0.10 7.33 0.00 0.27 -2.76 120.51 126.00 1qn0 n ALA 108 Ca -0.21 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 52.94 1qn0 n ALA 108 Cb 0.64 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.36 3.53 -1.23 0.00 4.02 -1.16 -4.36 115.29 113.73 1qn0 s HIS 110 Ca -0.27 -3.18 -0.09 0.00 1.02 0.00 0.00 55.06 52.54 1qn0 s HIS 110 Cb 0.09 -2.90 0.20 0.00 -1.02 0.00 0.00 32.58 28.95 1qn0 s HIS 110 CO 0.37 -0.66 1.69 -0.35 1.02 0.00 0.00 174.74 176.82 1qn0 n PRO 111 N 2.47 3.71 0.00 8.40 -0.04 -1.11 -1.25 135.00 147.17 1qn0 n PRO 111 Ca 0.15 -3.80 0.00 0.00 -0.04 0.00 0.00 63.50 59.82 1qn0 n PRO 111 Cb 0.35 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 1qn0 n PRO 111 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33