#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 -4.62 -1.34 9.92 -1.26 -5.12 116.55 114.13 1qn0 n ASP 2 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.83 1qn0 n ASP 2 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1qn0 n ASP 2 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1qn0 s VAL 3 N 0.00 3.14 1.01 2.53 0.11 -1.26 -4.92 120.40 121.01 1qn0 s VAL 3 Ca 0.00 0.15 -0.20 0.00 -2.93 0.00 0.00 61.98 59.00 1qn0 s VAL 3 Cb 0.00 -3.15 -0.12 0.00 -1.53 0.00 0.00 36.38 31.58 1qn0 s VAL 3 CO 0.00 -0.07 -0.85 -2.65 -3.33 0.00 0.00 175.10 168.20 1qn0 n PRO 4 N 8.19 -0.19 -3.41 1.54 -0.02 -1.26 -4.93 135.00 134.92 1qn0 n PRO 4 Ca 0.25 -0.05 -0.32 0.00 -2.02 0.00 0.00 63.50 61.35 1qn0 n PRO 4 Cb 0.44 -1.17 -0.05 0.00 -0.02 0.00 0.00 33.50 32.70 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 -2.07 3.56 1.13 3.55 0.00 -1.26 -4.47 121.76 122.20 1qn0 s ALA 5 Ca 0.42 -0.25 -0.15 0.00 0.00 0.00 0.00 51.96 51.98 1qn0 s ALA 5 Cb -0.08 -2.45 0.18 0.00 0.00 0.00 0.00 23.12 20.78 1qn0 s ALA 5 CO 0.74 0.50 0.52 -3.47 0.00 0.00 0.00 175.76 174.04 1qn0 n ASP 6 N -0.03 -1.98 -1.67 0.00 -0.08 -1.26 -4.14 116.55 107.38 1qn0 n ASP 6 Ca -0.00 -0.09 -0.06 0.00 -1.51 0.00 0.00 54.79 53.13 1qn0 n ASP 6 Cb 0.52 -1.13 0.03 0.00 2.34 0.00 0.00 41.12 42.88 1qn0 n ASP 6 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qn0 n GLY 7 N 1.48 0.28 3.53 0.27 0.00 -1.18 -5.01 105.19 104.58 1qn0 n GLY 7 Ca 0.02 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.11 3.50 0.02 4.61 0.00 -0.48 -4.94 121.76 121.37 1qn0 s ALA 8 Ca 0.06 -1.34 -0.20 0.00 0.00 0.00 0.00 51.96 50.49 1qn0 s ALA 8 Cb -0.03 -2.73 -0.06 0.00 0.00 0.00 0.00 23.12 20.31 1qn0 s ALA 8 CO 0.23 -1.02 0.57 -1.59 0.00 0.00 0.00 175.76 173.95 1qn0 s LYS 9 N 1.82 4.26 -0.16 0.00 -2.85 -1.26 0.89 119.74 122.44 1qn0 s LYS 9 Ca 0.08 0.71 0.01 0.00 -1.00 0.00 0.00 55.97 55.78 1qn0 s LYS 9 Cb -0.17 -3.30 0.01 0.00 -2.06 0.00 0.00 37.83 32.31 1qn0 s LYS 9 CO 0.11 0.47 -0.19 0.42 0.10 0.00 0.00 175.35 176.26 1qn0 s ILE 10 N -0.54 2.22 -0.34 3.79 1.01 0.12 -4.96 121.20 122.51 1qn0 s ILE 10 Ca 0.30 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 60.10 1qn0 s ILE 10 Cb -0.19 -1.92 0.19 0.00 0.01 0.00 0.00 42.46 40.55 1qn0 s ILE 10 CO 0.17 0.54 0.57 -0.62 0.00 0.00 0.00 174.94 175.60 1qn0 s ASP 11 N 0.98 -1.17 -0.02 3.58 2.15 -1.26 -2.10 116.67 118.83 1qn0 s ASP 11 Ca -0.03 -0.34 0.02 0.00 0.43 0.00 0.00 52.55 52.64 1qn0 s ASP 11 Cb -0.15 1.80 -0.03 0.00 -0.30 0.00 0.00 42.92 44.24 1qn0 s ASP 11 CO -0.05 -0.26 0.02 0.49 -0.17 0.00 0.00 175.17 175.20 1qn0 n PHE 12 N 4.99 0.00 -3.36 -5.34 3.72 -1.26 -4.92 117.46 111.29 1qn0 n PHE 12 Ca 0.07 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.02 1qn0 n PHE 12 Cb 0.54 -0.10 -0.06 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 -2.08 5.13 0.01 4.37 1.01 -1.26 -5.01 121.20 123.37 1qn0 s ILE 13 Ca -0.01 -1.38 -0.23 0.00 0.00 0.00 0.00 60.65 59.03 1qn0 s ILE 13 Cb 0.01 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 1qn0 s ILE 13 CO 0.10 -0.76 0.69 0.00 0.00 0.00 0.00 174.94 174.96 1qn0 s ALA 14 N 1.59 3.41 0.00 9.38 0.00 -1.26 -4.62 121.76 130.27 1qn0 s ALA 14 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1qn0 s ALA 14 Cb -0.28 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1qn0 s ALA 14 CO 0.04 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1qn0 n GLY 15 N 2.52 -0.96 7.00 0.00 0.00 -1.24 -5.05 105.19 107.46 1qn0 n GLY 15 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.47 0.34 -0.02 0.00 -1.26 -1.90 105.19 101.89 1qn0 n GLY 16 Ca 0.00 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.48 -0.08 0.16 1.61 4.71 -1.26 -4.46 120.64 119.85 1qn0 n GLU 17 Ca 0.00 1.49 0.00 0.00 -0.01 0.00 0.00 57.16 58.64 1qn0 n GLU 17 Cb 0.00 -2.27 0.00 0.00 -1.01 0.00 0.00 31.44 28.16 1qn0 n GLU 17 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1qn0 n LYS 18 N -5.54 0.00 0.00 3.49 2.85 -1.20 -5.15 118.16 112.61 1qn0 n LYS 18 Ca 0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1qn0 n LYS 18 Cb 0.55 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 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 -3.45 0.00 -4.73 -5.58 6.94 -0.80 -3.74 115.26 103.90 1qn0 n ASN 19 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.15 1qn0 n ASN 19 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 1qn0 n ASN 19 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1qn0 s LEU 20 N 0.00 4.44 -0.24 -4.53 1.43 -1.26 -5.00 118.68 113.52 1qn0 s LEU 20 Ca 0.00 2.07 0.02 0.00 -1.03 0.00 0.00 54.13 55.19 1qn0 s LEU 20 Cb 0.00 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.68 1qn0 s LEU 20 CO 0.00 -0.33 -0.11 -0.89 0.23 0.00 0.00 176.35 175.25 1qn0 s THR 21 N 0.28 1.93 -0.00 5.49 2.01 -1.26 -4.72 115.64 119.37 1qn0 s THR 21 Ca 0.53 -1.37 -0.17 0.00 0.31 0.00 0.00 61.69 61.00 1qn0 s THR 21 Cb -0.30 -2.04 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 1qn0 s THR 21 CO 0.33 0.05 0.47 -0.69 -0.69 0.00 0.00 174.62 174.09 1qn0 s VAL 22 N 1.23 4.97 -0.21 3.82 1.01 -0.89 -4.86 120.40 125.47 1qn0 s VAL 22 Ca -0.06 0.98 -0.08 0.00 0.00 0.00 0.00 61.98 62.82 1qn0 s VAL 22 Cb -0.18 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1qn0 s VAL 22 CO -0.07 0.52 0.10 -0.69 0.00 0.00 0.00 175.10 174.96 1qn0 s VAL 23 N -0.76 4.90 0.52 2.92 1.01 -1.26 0.12 120.40 127.84 1qn0 s VAL 23 Ca 0.26 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.26 1qn0 s VAL 23 Cb -0.17 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 1qn0 s VAL 23 CO 0.14 0.40 0.02 0.12 0.00 0.00 0.00 175.10 175.79 1qn0 s PHE 24 N 0.80 1.81 -0.29 5.22 5.36 0.26 -4.93 117.98 126.21 1qn0 s PHE 24 Ca 0.05 -0.97 -0.16 0.00 -0.96 0.00 0.00 56.93 54.90 1qn0 s PHE 24 Cb -0.13 -1.62 0.15 0.00 -0.34 0.00 0.00 43.02 41.08 1qn0 s PHE 24 CO 0.02 0.18 0.96 -0.80 -1.46 0.00 0.00 175.22 174.12 1qn0 s ASN 25 N -3.91 -0.56 0.28 6.13 -0.87 -1.26 -1.38 114.94 113.38 1qn0 s ASN 25 Ca 0.05 0.85 0.26 0.00 -1.57 0.00 0.00 52.86 52.45 1qn0 s ASN 25 Cb 0.01 1.38 0.91 0.00 -0.02 0.00 0.00 41.25 43.53 1qn0 s ASN 25 CO 0.03 -0.13 1.76 0.45 -2.57 0.00 0.00 177.10 176.64 1qn0 h HIS 26 N 6.58 0.00 -0.22 2.20 3.86 -1.83 -2.44 115.15 123.30 1qn0 h HIS 26 Ca -0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1qn0 h HIS 26 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 1qn0 h HIS 26 CO 0.14 0.00 0.00 0.43 0.86 0.00 0.00 177.93 179.36 1qn0 n SER 27 N -2.39 1.25 -0.05 2.45 7.64 -1.26 -2.54 113.62 118.72 1qn0 n SER 27 Ca 0.03 -2.01 -0.05 0.00 1.01 0.00 0.00 58.87 57.85 1qn0 n SER 27 Cb 0.33 -0.17 -0.08 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.16 0.68 -1.01 0.44 -1.04 -0.92 -4.53 114.28 108.06 1qn0 n THR 28 Ca 0.08 -0.40 0.08 0.00 -2.04 0.00 0.00 64.05 61.77 1qn0 n THR 28 Cb 0.20 -0.76 0.27 0.00 -1.82 0.00 0.00 70.33 68.22 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 -2.42 1.05 0.28 -1.42 8.25 -1.22 -4.56 115.22 115.18 1qn0 n HIS 29 Ca -0.17 -0.90 0.16 0.00 -0.26 0.00 0.00 57.72 56.56 1qn0 n HIS 29 Cb 0.81 -0.34 0.88 0.00 1.12 0.00 0.00 29.99 32.46 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 1.94 0.00 -0.01 -0.41 -0.00 -1.73 1.56 116.57 117.92 1qn0 h LYS 30 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 1qn0 h LYS 30 Cb 1.51 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.74 1qn0 h LYS 30 CO 0.26 0.00 -0.09 -0.40 -0.00 0.00 0.00 179.45 179.22 1qn0 n ASP 31 N -2.74 0.83 -4.53 7.07 5.75 -1.26 -4.78 116.55 116.89 1qn0 n ASP 31 Ca -0.02 -0.98 -0.34 0.00 -0.01 0.00 0.00 54.79 53.44 1qn0 n ASP 31 Cb 0.19 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.16 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 -2.26 3.85 0.94 2.12 1.01 0.53 -5.09 120.40 121.50 1qn0 s VAL 32 Ca 0.34 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 1qn0 s VAL 32 Cb 0.20 -2.65 0.05 0.00 0.00 0.00 0.00 36.38 33.99 1qn0 s VAL 32 CO 0.42 0.53 0.52 0.29 0.00 0.00 0.00 175.10 176.87 1qn0 n LYS 33 N 3.08 -0.31 0.03 2.72 5.02 -1.26 -4.89 118.16 122.54 1qn0 n LYS 33 Ca -0.18 -0.05 -0.20 0.00 -2.02 0.00 0.00 58.31 55.87 1qn0 n LYS 33 Cb 0.53 -1.94 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 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 -3.90 0.00 0.27 0.00 5.68 -1.26 0.23 116.55 117.57 1qn0 n ASP 35 Ca -0.10 0.49 0.18 0.00 -0.50 0.00 0.00 54.79 54.86 1qn0 n ASP 35 Cb 0.84 -0.49 0.87 0.00 -1.14 0.00 0.00 41.12 41.20 1qn0 n ASP 35 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1qn0 h ASP 36 N 0.00 0.00 0.00 -1.12 1.82 -1.83 -3.35 116.42 111.94 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 0.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1qn0 h ASP 36 CO 0.00 0.00 -0.25 0.00 -1.61 0.00 0.00 179.24 177.38 1qn0 n HIS 38 N -2.49 2.85 -1.06 0.00 8.25 0.14 -4.71 115.22 118.19 1qn0 n HIS 38 Ca 0.00 -2.18 -0.18 0.00 -0.26 0.00 0.00 57.72 55.10 1qn0 n HIS 38 Cb 0.13 -2.23 -0.01 0.00 1.12 0.00 0.00 29.99 29.00 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 8.63 1.33 -4.23 4.41 -0.00 -1.26 -4.32 115.22 119.79 1qn0 n HIS 39 Ca 0.49 -1.86 -0.32 0.00 -0.00 0.00 0.00 57.72 56.03 1qn0 n HIS 39 Cb 0.42 -1.11 -0.08 0.00 -0.00 0.00 0.00 29.99 29.22 1qn0 n HIS 39 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1qn0 s GLN 40 N -1.45 2.77 0.81 -1.40 1.11 -1.25 -5.10 119.66 115.16 1qn0 s GLN 40 Ca 0.41 -0.65 -0.13 0.00 0.01 0.00 0.00 55.36 55.00 1qn0 s GLN 40 Cb 0.28 -2.66 0.08 0.00 -1.01 0.00 0.00 33.01 29.69 1qn0 s GLN 40 CO -0.07 0.61 1.14 -0.35 0.01 0.00 0.00 175.29 176.62 1qn0 n PRO 41 N 1.18 0.14 -0.75 2.91 -0.04 -1.26 -4.04 135.00 133.13 1qn0 n PRO 41 Ca -0.13 0.12 -0.26 0.00 -0.04 0.00 0.00 63.50 63.19 1qn0 n PRO 41 Cb 0.52 -2.39 0.10 0.00 -0.04 0.00 0.00 33.50 31.70 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 0.62 -2.45 5.00 0.55 0.00 -1.26 0.13 105.19 107.78 1qn0 n GLY 42 Ca 0.13 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1qn0 n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qn0 n ASP 43 N 0.75 0.00 -1.03 1.61 9.92 -1.26 -3.45 116.55 123.08 1qn0 n ASP 43 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1qn0 n ASP 43 Cb 0.51 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 41.21 1qn0 n ASP 43 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1qn0 n LYS 44 N 0.00 2.17 0.29 -1.24 2.85 -1.12 -4.63 118.16 116.48 1qn0 n LYS 44 Ca 0.00 -3.04 0.19 0.00 -1.05 0.00 0.00 58.31 54.41 1qn0 n LYS 44 Cb 0.00 -1.82 0.97 0.00 -0.65 0.00 0.00 35.03 33.54 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 1.21 0.00 -2.20 -1.58 4.15 0.10 -2.75 115.11 114.04 1qn0 h GLN 45 Ca 0.14 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.97 1qn0 h GLN 45 Cb 1.57 0.00 -0.42 0.00 0.21 0.00 0.00 27.48 28.85 1qn0 h GLN 45 CO 0.33 0.00 -0.64 0.66 -1.93 0.00 0.00 178.83 177.25 1qn0 n TYR 46 N -3.31 3.50 -4.15 3.99 4.02 -1.26 -3.86 117.16 116.08 1qn0 n TYR 46 Ca -0.01 -4.09 -0.22 0.00 -0.01 0.00 0.00 57.90 53.57 1qn0 n TYR 46 Cb 0.23 -0.53 -0.02 0.00 -0.02 0.00 0.00 39.34 39.00 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 0.63 0.48 -1.77 -0.72 0.00 -1.04 -5.11 120.51 112.98 1qn0 n ALA 47 Ca 0.30 -1.67 -0.35 0.00 0.00 0.00 0.00 53.44 51.72 1qn0 n ALA 47 Cb 0.42 0.80 -0.00 0.00 0.00 0.00 0.00 19.45 20.66 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 -3.32 2.62 0.10 0.00 0.00 -1.26 -4.95 107.32 100.50 1qn0 s GLY 48 Ca 0.12 0.80 0.06 0.00 0.00 0.00 0.00 44.72 45.70 1qn0 s GLY 48 CO 0.08 1.15 1.19 0.00 0.00 0.00 0.00 173.10 175.52 1qn0 n THR 50 N -3.34 1.33 -1.57 0.00 -2.24 -1.26 -1.43 114.28 105.77 1qn0 n THR 50 Ca -0.03 -0.67 -0.33 0.00 -2.27 0.00 0.00 64.05 60.75 1qn0 n THR 50 Cb 0.96 -0.40 0.07 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.83 3.03 0.75 4.28 2.01 -1.19 -3.90 115.64 118.78 1qn0 s THR 51 Ca 0.26 0.45 -0.15 0.00 0.31 0.00 0.00 61.69 62.56 1qn0 s THR 51 Cb 0.20 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.78 1qn0 s THR 51 CO 0.08 -0.32 0.94 -0.67 -0.69 0.00 0.00 174.62 173.95 1qn0 n ASP 52 N -2.73 0.29 -1.34 3.53 -0.08 -1.26 -1.46 116.55 113.49 1qn0 n ASP 52 Ca 0.11 0.63 -0.16 0.00 -1.51 0.00 0.00 54.79 53.86 1qn0 n ASP 52 Cb 0.52 -1.40 -0.07 0.00 2.34 0.00 0.00 41.12 42.51 1qn0 n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qn0 n GLY 53 N 1.07 1.49 0.00 0.27 0.00 -1.26 -4.82 105.19 101.94 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 2.05 -1.96 0.00 8.25 -0.52 -4.60 115.22 118.45 1qn0 n HIS 55 Ca 0.00 -2.14 -0.41 0.00 -0.26 0.00 0.00 57.72 54.92 1qn0 n HIS 55 Cb 0.00 -1.28 -0.01 0.00 1.12 0.00 0.00 29.99 29.83 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 0.30 6.92 -3.79 0.41 2.85 -1.21 -4.00 115.26 116.74 1qn0 n ASN 56 Ca 0.48 -3.01 -0.29 0.00 -0.11 0.00 0.00 54.58 51.65 1qn0 n ASN 56 Cb 0.50 -1.46 -0.16 0.00 1.24 0.00 0.00 39.78 39.90 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 0.24 0.87 -2.04 -1.44 -1.09 -1.22 -4.96 121.20 111.56 1qn0 s ILE 57 Ca 0.52 -0.88 0.22 0.00 -2.23 0.00 0.00 60.65 58.28 1qn0 s ILE 57 Cb 0.15 -1.35 0.62 0.00 -1.58 0.00 0.00 42.46 40.30 1qn0 s ILE 57 CO -0.06 -0.25 1.52 0.18 -1.23 0.00 0.00 174.94 175.10 1qn0 n LEU 58 N 4.91 3.81 -3.98 2.97 4.77 -1.26 -3.73 117.00 124.48 1qn0 n LEU 58 Ca -0.09 -1.88 -0.43 0.00 -0.03 0.00 0.00 56.01 53.58 1qn0 n LEU 58 Cb 0.45 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1qn0 n LEU 58 CO 0.14 0.94 1.21 -0.90 -1.33 0.00 0.00 177.39 177.45 1qn0 n ASP 59 N 1.59 6.39 -4.41 -1.43 5.68 -1.26 -4.91 116.55 118.20 1qn0 n ASP 59 Ca 0.24 -3.41 -0.45 0.00 -0.50 0.00 0.00 54.79 50.67 1qn0 n ASP 59 Cb 0.61 -1.28 -0.02 0.00 -1.14 0.00 0.00 41.12 39.29 1qn0 n ASP 59 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1qn0 n LYS 60 N 1.43 0.26 -2.10 0.11 2.85 -1.26 -3.07 118.16 116.37 1qn0 n LYS 60 Ca 0.28 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.63 1qn0 n LYS 60 Cb 0.33 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.53 1qn0 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qn0 n ALA 61 N -0.30 0.00 -2.24 0.58 0.00 -1.26 -5.08 120.51 112.21 1qn0 n ALA 61 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.36 1qn0 n ALA 61 Cb 0.31 -0.49 -0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.97 4.92 -0.63 0.00 2.15 -1.18 -5.08 116.67 113.87 1qn0 s ASP 62 Ca 0.00 -0.94 0.05 0.00 0.43 0.00 0.00 52.55 52.08 1qn0 s ASP 62 Cb 0.00 -0.04 0.16 0.00 -0.30 0.00 0.00 42.92 42.74 1qn0 s ASP 62 CO 0.00 -0.95 0.42 -0.75 -0.17 0.00 0.00 175.17 173.72 1qn0 s LYS 63 N -4.29 2.19 -0.18 4.34 2.20 -1.26 -5.02 119.74 117.72 1qn0 s LYS 63 Ca 0.46 -3.04 -0.35 0.00 -0.36 0.00 0.00 55.97 52.68 1qn0 s LYS 63 Cb -0.03 -3.20 0.14 0.00 -1.51 0.00 0.00 37.83 33.23 1qn0 s LYS 63 CO 0.28 -1.25 1.26 -1.12 -0.36 0.00 0.00 175.35 174.15 1qn0 s SER 64 N -1.01 -0.10 -0.28 1.43 0.01 -1.26 -5.01 113.70 107.48 1qn0 s SER 64 Ca 0.23 -0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.47 1qn0 s SER 64 Cb -0.10 0.12 0.21 0.00 0.21 0.00 0.00 66.02 66.46 1qn0 s SER 64 CO -0.12 -0.20 1.94 0.55 0.41 0.00 0.00 173.24 175.82 1qn0 n VAL 65 N -0.14 2.63 -0.67 3.43 3.14 -1.26 -3.35 118.33 122.11 1qn0 n VAL 65 Ca -0.00 -1.48 0.00 0.00 -2.96 0.00 0.00 64.34 59.90 1qn0 n VAL 65 Cb 0.59 -1.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 1qn0 n VAL 65 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1qn0 n ASN 66 N 0.35 0.66 -4.73 6.55 4.13 -1.26 -4.85 115.26 116.10 1qn0 n ASN 66 Ca 0.28 -1.33 -0.41 0.00 1.68 0.00 0.00 54.58 54.80 1qn0 n ASN 66 Cb 0.63 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.82 1qn0 n ASN 66 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1qn0 s SER 67 N -0.33 7.37 -0.05 6.41 1.04 -1.21 -3.45 113.70 123.48 1qn0 s SER 67 Ca 0.00 1.93 0.12 0.00 0.48 0.00 0.00 55.95 58.48 1qn0 s SER 67 Cb 0.00 -2.59 0.42 0.00 0.10 0.00 0.00 66.02 63.95 1qn0 s SER 67 CO 0.00 -0.16 1.30 1.87 0.98 0.00 0.00 173.24 177.23 1qn0 n TRP 68 N 2.68 0.81 0.03 5.02 -0.00 -1.24 -3.33 117.44 121.40 1qn0 n TRP 68 Ca 0.03 -0.34 0.00 0.00 -0.00 0.00 0.00 57.50 57.19 1qn0 n TRP 68 Cb 0.48 -0.12 -0.00 0.00 -0.00 0.00 0.00 31.31 31.67 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 0.65 0.00 -0.13 5.87 4.19 -1.26 -4.55 117.16 121.93 1qn0 n TYR 69 Ca 0.15 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 61.13 1qn0 n TYR 69 Cb 0.52 0.00 -0.11 0.00 0.49 0.00 0.00 39.34 40.24 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 -0.93 0.62 0.00 2.98 4.81 -1.22 -2.96 118.16 121.46 1qn0 n LYS 70 Ca 0.00 0.20 0.03 0.00 -0.87 0.00 0.00 58.31 57.67 1qn0 n LYS 70 Cb 0.01 -1.50 0.15 0.00 0.02 0.00 0.00 35.03 33.71 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 -3.72 1.25 -0.11 3.15 0.24 -1.21 0.21 118.33 118.13 1qn0 n VAL 71 Ca -0.50 0.31 -0.22 0.00 -2.04 0.00 0.00 64.34 61.89 1qn0 n VAL 71 Cb 0.94 -1.20 -0.07 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.40 1.34 -0.68 3.34 0.31 -1.26 -4.40 118.33 115.58 1qn0 n VAL 72 Ca 0.02 -0.23 -0.08 0.00 -0.01 0.00 0.00 64.34 64.04 1qn0 n VAL 72 Cb 0.06 -1.91 0.22 0.00 -0.91 0.00 0.00 33.84 31.31 1qn0 n VAL 72 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1qn0 n HIS 73 N -4.12 2.13 -2.51 3.52 8.25 -1.02 -3.49 115.22 117.98 1qn0 n HIS 73 Ca -0.40 -1.15 -0.43 0.00 -0.26 0.00 0.00 57.72 55.48 1qn0 n HIS 73 Cb 0.75 -0.65 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 1qn0 n HIS 73 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1qn0 s ASP 74 N -0.75 6.51 0.00 0.41 1.01 0.55 -4.83 116.67 119.57 1qn0 s ASP 74 Ca 0.45 0.54 0.27 0.00 0.71 0.00 0.00 52.55 54.52 1qn0 s ASP 74 Cb 0.36 -2.55 0.79 0.00 1.01 0.00 0.00 42.92 42.54 1qn0 s ASP 74 CO 0.11 -1.35 1.59 0.00 0.21 0.00 0.00 175.17 175.73 1qn0 n ALA 75 N 8.27 3.12 -2.17 5.23 0.00 -1.26 -4.27 120.51 129.43 1qn0 n ALA 75 Ca 0.13 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.91 1qn0 n ALA 75 Cb 0.49 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 1qn0 n ALA 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1qn0 s LYS 76 N -2.65 3.84 0.33 0.00 2.20 -1.26 -4.91 119.74 117.29 1qn0 s LYS 76 Ca 0.21 0.53 0.04 0.00 -0.36 0.00 0.00 55.97 56.39 1qn0 s LYS 76 Cb 0.19 -2.40 -0.06 0.00 -1.51 0.00 0.00 37.83 34.04 1qn0 s LYS 76 CO 0.56 0.01 0.04 0.20 -0.36 0.00 0.00 175.35 175.81 1qn0 s GLY 77 N -2.91 2.10 0.00 5.54 0.00 -1.26 -4.81 107.32 105.97 1qn0 s GLY 77 Ca 0.52 -2.07 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1qn0 s GLY 77 CO 0.28 -1.85 0.00 0.61 0.00 0.00 0.00 173.10 172.13 1qn0 n GLY 78 N -0.71 -1.36 0.10 0.20 0.00 -1.26 -4.95 105.19 97.21 1qn0 n GLY 78 Ca -0.03 0.45 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 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 0.05 -2.87 4.61 0.00 -2.07 -3.47 119.26 115.50 1qn0 h ALA 79 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1qn0 h ALA 79 Cb 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.67 1qn0 h ALA 79 CO 0.00 0.05 0.11 -1.59 0.00 0.00 0.00 179.25 177.82 1qn0 s LYS 80 N -3.31 1.19 0.26 0.00 -2.85 -1.26 -5.18 119.74 108.59 1qn0 s LYS 80 Ca -0.16 -0.52 -0.04 0.00 -1.00 0.00 0.00 55.97 54.25 1qn0 s LYS 80 Cb 0.01 0.54 0.06 0.00 -2.06 0.00 0.00 37.83 36.38 1qn0 s LYS 80 CO 0.73 -0.50 0.31 -0.35 0.10 0.00 0.00 175.35 175.65 1qn0 n PRO 81 N -0.26 -0.67 -1.16 1.78 -0.04 -1.26 -4.76 135.00 128.63 1qn0 n PRO 81 Ca -0.17 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1qn0 n PRO 81 Cb 0.64 -0.35 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 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 -2.63 0.00 1.55 0.52 -2.24 -1.26 -4.95 114.28 105.27 1qn0 n THR 82 Ca 0.04 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.96 1qn0 n THR 82 Cb 0.14 0.00 0.77 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.13 0.47 0.15 0.00 2.08 -1.25 -4.15 119.36 115.54 1qn0 n ILE 84 Ca 0.17 -0.15 -0.14 0.00 0.56 0.00 0.00 62.75 63.19 1qn0 n ILE 84 Cb 0.15 -1.15 -0.08 0.00 -0.75 0.00 0.00 39.64 37.81 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 -0.14 -1.27 0.65 4.38 0.87 -1.73 1.77 113.55 118.08 1qn0 h SER 85 Ca -0.20 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 1qn0 h SER 85 Cb 1.25 0.45 -0.00 0.00 -0.44 0.00 0.00 62.40 63.66 1qn0 h SER 85 CO -0.07 -0.50 -0.37 0.00 -0.53 0.00 0.00 176.83 175.36 1qn0 h HIS 87 N -0.95 0.91 -0.39 0.00 -0.00 -1.67 0.79 115.15 113.83 1qn0 h HIS 87 Ca -0.08 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1qn0 h HIS 87 Cb 0.75 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.90 1qn0 h HIS 87 CO -0.07 -0.05 0.24 0.87 -0.00 0.00 0.00 177.93 178.92 1qn0 h LYS 88 N 0.42 0.52 -0.90 2.45 1.79 0.36 -0.86 116.57 120.35 1qn0 h LYS 88 Ca 0.69 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 59.16 1qn0 h LYS 88 Cb 1.53 -0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 32.01 1qn0 h LYS 88 CO -0.50 0.37 0.58 0.22 -1.08 0.00 0.00 179.45 179.03 1qn0 h ASP 89 N 0.52 0.94 -0.58 0.86 1.82 0.16 0.28 116.42 120.42 1qn0 h ASP 89 Ca 0.14 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 1qn0 h ASP 89 Cb -0.02 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 39.76 1qn0 h ASP 89 CO -0.03 0.63 0.33 0.11 -1.61 0.00 0.00 179.24 178.67 1qn0 h LYS 90 N 1.09 0.82 -0.71 0.28 1.79 -0.33 0.21 116.57 119.72 1qn0 h LYS 90 Ca 0.37 -0.08 -0.12 0.00 -2.18 0.00 0.00 60.65 58.64 1qn0 h LYS 90 Cb 0.07 -0.17 -0.07 0.00 -1.58 0.00 0.00 32.23 30.48 1qn0 h LYS 90 CO -0.14 0.60 0.16 0.00 -1.08 0.00 0.00 179.45 178.99 1qn0 n ALA 91 N -2.45 4.22 -1.59 3.86 0.00 -0.04 -4.64 120.51 119.87 1qn0 n ALA 91 Ca 0.06 -2.03 -0.33 0.00 0.00 0.00 0.00 53.44 51.14 1qn0 n ALA 91 Cb 0.10 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.30 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 0.17 4.49 0.00 0.00 0.00 0.80 -4.12 105.19 106.53 1qn0 n GLY 92 Ca 0.34 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 2.04 0.00 -4.67 1.61 5.75 -1.26 -5.03 116.55 114.98 1qn0 n ASP 93 Ca 0.60 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.95 1qn0 n ASP 93 Cb 0.41 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.48 1qn0 n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1qn0 s ASP 94 N 0.00 7.10 0.12 -1.12 -1.08 -1.26 -4.91 116.67 115.52 1qn0 s ASP 94 Ca 0.00 1.55 -0.11 0.00 -0.52 0.00 0.00 52.55 53.47 1qn0 s ASP 94 Cb 0.00 -2.55 -0.09 0.00 -1.46 0.00 0.00 42.92 38.82 1qn0 s ASP 94 CO 0.00 -0.61 1.38 0.11 0.52 0.00 0.00 175.17 176.56 1qn0 h LYS 95 N 7.50 0.81 0.00 4.34 1.57 -1.98 -2.83 116.57 125.98 1qn0 h LYS 95 Ca -0.26 -0.57 -0.06 0.00 -1.87 0.00 0.00 60.65 57.89 1qn0 h LYS 95 Cb 1.11 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1qn0 h LYS 95 CO 0.93 1.19 -0.27 0.93 -0.57 0.00 0.00 179.45 181.67 1qn0 h GLU 96 N 0.59 0.00 0.00 3.15 5.08 -1.96 -1.09 114.58 120.35 1qn0 h GLU 96 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1qn0 h GLU 96 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1qn0 h GLU 96 CO 0.14 0.27 -0.08 1.25 -1.00 0.00 0.00 179.01 179.58 1qn0 h LEU 97 N 0.00 0.00 -2.01 1.33 7.12 -1.89 -2.64 115.31 117.22 1qn0 h LEU 97 Ca -0.00 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.96 1qn0 h LEU 97 Cb 0.52 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.62 1qn0 h LEU 97 CO 0.03 0.08 0.06 1.17 -0.13 0.00 0.00 178.44 179.66 1qn0 n LYS 98 N -3.17 1.89 -2.68 1.25 4.81 -0.41 -3.62 118.16 116.23 1qn0 n LYS 98 Ca 0.02 -0.90 -0.08 0.00 -0.87 0.00 0.00 58.31 56.47 1qn0 n LYS 98 Cb 0.43 -1.60 0.03 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 0.13 1.45 0.00 1.64 5.02 -1.00 -3.70 118.16 121.71 1qn0 n LYS 99 Ca 0.11 -3.40 0.00 0.00 -2.02 0.00 0.00 58.31 53.00 1qn0 n LYS 99 Cb 0.63 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 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 -0.23 0.00 -0.03 1.97 2.85 -1.24 -4.68 118.16 116.81 1qn0 n LYS 100 Ca 0.11 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.23 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 -1.45 1.50 0.00 -5.58 4.77 -1.24 -0.22 117.00 114.79 1qn0 n LEU 101 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1qn0 n LEU 101 Cb 0.00 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1qn0 n LEU 101 CO 0.00 0.59 0.36 0.35 -1.33 0.00 0.00 177.39 177.36 1qn0 n THR 102 N -3.18 0.51 -0.27 -5.08 -2.24 -1.26 -4.86 114.28 97.91 1qn0 n THR 102 Ca -0.25 -0.56 -0.05 0.00 -2.27 0.00 0.00 64.05 60.92 1qn0 n THR 102 Cb 1.06 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 70.06 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 -0.26 -1.56 1.50 3.38 0.00 -1.24 -4.74 105.19 102.27 1qn0 n GLY 103 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 0.00 0.89 -0.15 0.00 2.20 -1.26 -4.78 119.74 116.64 1qn0 s LYS 105 Ca 0.00 -0.85 -0.01 0.00 -0.36 0.00 0.00 55.97 54.75 1qn0 s LYS 105 Cb 0.00 -2.18 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 1qn0 s LYS 105 CO 0.00 -0.79 0.13 0.41 -0.36 0.00 0.00 175.35 174.74 1qn0 n GLY 106 N 4.87 0.61 0.87 5.54 0.00 -0.70 -5.04 105.19 111.34 1qn0 n GLY 106 Ca -0.06 -0.51 -0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 0.08 0.68 0.00 1.61 3.41 -0.79 -4.84 113.62 113.77 1qn0 n SER 107 Ca -0.01 -1.36 0.14 0.00 -0.26 0.00 0.00 58.87 57.38 1qn0 n SER 107 Cb 0.51 -0.08 0.85 0.00 -0.26 0.00 0.00 64.21 65.24 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 -2.83 2.59 -0.08 7.33 0.00 0.70 -3.01 120.51 125.22 1qn0 n ALA 108 Ca -0.03 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.07 1qn0 n ALA 108 Cb 0.14 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 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 -2.29 3.49 -1.22 0.00 4.02 -1.21 -4.33 115.29 113.74 1qn0 s HIS 110 Ca -0.22 -3.20 -0.07 0.00 1.02 0.00 0.00 55.06 52.59 1qn0 s HIS 110 Cb 0.08 -2.86 0.20 0.00 -1.02 0.00 0.00 32.58 28.98 1qn0 s HIS 110 CO 0.29 -0.65 1.85 -0.35 1.02 0.00 0.00 174.74 176.89 1qn0 n PRO 111 N 2.48 4.07 0.00 8.40 -0.04 -1.16 -1.72 135.00 147.03 1qn0 n PRO 111 Ca 0.15 -3.83 0.00 0.00 -0.04 0.00 0.00 63.50 59.78 1qn0 n PRO 111 Cb 0.35 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 1qn0 n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91