#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qn1 n ASP 2 N 0.00 -3.82 -4.63 6.55 9.92 -1.26 -4.96 116.55 118.36 1qn1 n ASP 2 Ca 0.00 0.11 -0.34 0.00 -0.53 0.00 0.00 54.79 54.03 1qn1 n ASP 2 Cb 0.00 -0.81 -0.10 0.00 -0.64 0.00 0.00 41.12 39.57 1qn1 n ASP 2 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1qn1 s VAL 3 N -2.12 4.05 -0.29 2.53 0.11 -1.26 -5.04 120.40 118.38 1qn1 s VAL 3 Ca 0.45 -0.34 -0.31 0.00 -2.93 0.00 0.00 61.98 58.84 1qn1 s VAL 3 Cb -0.10 -2.70 -0.08 0.00 -1.53 0.00 0.00 36.38 31.98 1qn1 s VAL 3 CO 0.72 0.59 2.22 -0.81 -3.33 0.00 0.00 175.10 174.49 1qn1 n PRO 4 N 2.33 1.49 0.00 1.54 -0.04 -1.26 -4.89 135.00 134.17 1qn1 n PRO 4 Ca -0.18 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1qn1 n PRO 4 Cb 0.53 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 1qn1 n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qn1 n ALA 5 N 10.93 0.00 -3.68 0.55 0.00 -1.26 -4.22 120.51 122.83 1qn1 n ALA 5 Ca 0.36 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.87 1qn1 n ALA 5 Cb 0.34 0.12 0.02 0.00 0.00 0.00 0.00 19.45 19.93 1qn1 n ALA 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qn1 n ASP 6 N -0.52 -1.25 0.00 0.00 8.00 -1.26 -3.05 116.55 118.47 1qn1 n ASP 6 Ca 0.00 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.88 1qn1 n ASP 6 Cb 0.00 2.02 0.00 0.00 -0.02 0.00 0.00 41.12 43.12 1qn1 n ASP 6 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qn1 n GLY 7 N -0.56 1.06 3.47 0.44 0.00 -1.21 -5.03 105.19 103.36 1qn1 n GLY 7 Ca -0.01 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1qn1 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 s ALA 8 N -2.00 3.19 -0.45 4.61 0.00 -1.24 -4.96 121.76 120.91 1qn1 s ALA 8 Ca 0.00 -1.64 -0.29 0.00 0.00 0.00 0.00 51.96 50.03 1qn1 s ALA 8 Cb 0.00 -3.72 0.03 0.00 0.00 0.00 0.00 23.12 19.42 1qn1 s ALA 8 CO 0.00 -2.50 1.17 0.15 0.00 0.00 0.00 175.76 174.58 1qn1 s LYS 9 N 3.73 3.75 -0.46 0.00 3.01 -1.26 -2.50 119.74 126.01 1qn1 s LYS 9 Ca 0.23 0.68 -0.17 0.00 -1.01 0.00 0.00 55.97 55.71 1qn1 s LYS 9 Cb -0.16 -3.90 0.05 0.00 -1.01 0.00 0.00 37.83 32.80 1qn1 s LYS 9 CO 0.13 -1.35 0.46 0.42 0.51 0.00 0.00 175.35 175.53 1qn1 s ILE 10 N 4.50 5.09 -0.44 2.17 1.01 0.45 -4.89 121.20 129.09 1qn1 s ILE 10 Ca 0.50 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.59 1qn1 s ILE 10 Cb -0.09 -4.13 0.25 0.00 0.01 0.00 0.00 42.46 38.51 1qn1 s ILE 10 CO 0.30 -0.56 0.74 -0.67 0.00 0.00 0.00 174.94 174.74 1qn1 n ASP 11 N 5.60 -1.47 0.00 3.58 2.03 -1.26 -1.73 116.55 123.30 1qn1 n ASP 11 Ca -0.09 -3.05 0.08 0.00 0.52 0.00 0.00 54.79 52.24 1qn1 n ASP 11 Cb 0.46 0.72 0.45 0.00 -0.72 0.00 0.00 41.12 42.02 1qn1 n ASP 11 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1qn1 n PHE 12 N 1.45 0.00 -4.13 -0.67 3.72 -1.26 -4.79 117.46 111.79 1qn1 n PHE 12 Ca 0.14 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.31 1qn1 n PHE 12 Cb 0.59 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.08 1qn1 n PHE 12 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1qn1 s ILE 13 N -2.00 4.32 -1.32 4.37 1.09 -1.26 -5.02 121.20 121.37 1qn1 s ILE 13 Ca 0.23 -1.35 -0.06 0.00 -1.10 0.00 0.00 60.65 58.36 1qn1 s ILE 13 Cb 0.10 -3.28 0.12 0.00 -1.06 0.00 0.00 42.46 38.35 1qn1 s ILE 13 CO 0.18 -0.26 2.32 0.00 -0.10 0.00 0.00 174.94 177.07 1qn1 n ALA 14 N -0.82 6.61 -1.65 9.38 0.00 -1.26 -4.90 120.51 127.86 1qn1 n ALA 14 Ca -0.08 -4.11 -0.47 0.00 0.00 0.00 0.00 53.44 48.78 1qn1 n ALA 14 Cb 0.57 -2.82 -0.04 0.00 0.00 0.00 0.00 19.45 17.15 1qn1 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qn1 n GLY 15 N 1.94 1.41 3.78 0.00 0.00 -1.26 -4.92 105.19 106.13 1qn1 n GLY 15 Ca 0.59 0.86 -0.36 0.00 0.00 0.00 0.00 46.02 47.11 1qn1 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qn1 s GLY 16 N 4.84 2.72 0.00 -0.02 0.00 -1.26 -3.79 107.32 109.80 1qn1 s GLY 16 Ca 0.94 0.79 0.00 0.00 0.00 0.00 0.00 44.72 46.45 1qn1 s GLY 16 CO 0.48 1.21 0.00 -2.21 0.00 0.00 0.00 173.10 172.59 1qn1 n GLU 17 N -0.44 0.00 -0.72 2.90 2.13 -1.26 -2.31 120.64 120.94 1qn1 n GLU 17 Ca 0.07 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.66 1qn1 n GLU 17 Cb 0.49 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.18 1qn1 n GLU 17 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1qn1 n LYS 18 N 0.00 1.83 -1.04 5.31 5.02 -1.26 -4.90 118.16 123.12 1qn1 n LYS 18 Ca 0.00 -1.42 -0.36 0.00 -2.02 0.00 0.00 58.31 54.51 1qn1 n LYS 18 Cb 0.00 -2.47 0.04 0.00 -0.02 0.00 0.00 35.03 32.58 1qn1 n LYS 18 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1qn1 n ASN 19 N 4.70 -5.51 -4.36 4.39 2.85 -0.98 -4.91 115.26 111.44 1qn1 n ASN 19 Ca 0.41 0.27 -0.36 0.00 -0.11 0.00 0.00 54.58 54.79 1qn1 n ASN 19 Cb 0.15 -0.79 -0.13 0.00 1.24 0.00 0.00 39.78 40.25 1qn1 n ASN 19 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1qn1 s LEU 20 N 7.18 3.40 -0.05 1.20 1.43 -1.26 -4.97 118.68 125.60 1qn1 s LEU 20 Ca 0.43 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1qn1 s LEU 20 Cb -0.23 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1qn1 s LEU 20 CO 0.80 -0.09 -0.09 -0.89 0.23 0.00 0.00 176.35 176.31 1qn1 s THR 21 N 1.53 0.91 -0.16 5.49 2.01 -1.26 -4.47 115.64 119.69 1qn1 s THR 21 Ca 0.05 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 1qn1 s THR 21 Cb -0.16 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1qn1 s THR 21 CO 0.01 0.30 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.46 1qn1 s VAL 22 N 0.71 3.27 -0.15 3.82 1.01 -0.70 -4.89 120.40 123.47 1qn1 s VAL 22 Ca -0.13 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 1qn1 s VAL 22 Cb -0.15 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1qn1 s VAL 22 CO 0.02 0.50 0.46 -0.69 0.00 0.00 0.00 175.10 175.39 1qn1 s VAL 23 N 0.61 5.19 0.06 2.92 1.01 -1.26 -0.41 120.40 128.52 1qn1 s VAL 23 Ca -0.06 0.88 0.06 0.00 0.00 0.00 0.00 61.98 62.86 1qn1 s VAL 23 Cb -0.15 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1qn1 s VAL 23 CO 0.03 0.29 -0.10 0.12 0.00 0.00 0.00 175.10 175.44 1qn1 s PHE 24 N 0.90 2.76 -0.04 5.22 5.36 -1.04 -4.97 117.98 126.17 1qn1 s PHE 24 Ca 0.24 -0.13 -0.01 0.00 -0.96 0.00 0.00 56.93 56.07 1qn1 s PHE 24 Cb -0.15 -1.49 0.03 0.00 -0.34 0.00 0.00 43.02 41.07 1qn1 s PHE 24 CO 0.09 0.38 0.02 -0.80 -1.46 0.00 0.00 175.22 173.45 1qn1 s ASN 25 N -1.85 0.80 0.00 6.13 -0.87 -1.26 -3.29 114.94 114.60 1qn1 s ASN 25 Ca 0.19 -0.01 0.20 0.00 -1.57 0.00 0.00 52.86 51.67 1qn1 s ASN 25 Cb -0.11 -0.23 0.87 0.00 -0.02 0.00 0.00 41.25 41.76 1qn1 s ASN 25 CO 0.11 -0.16 1.63 1.41 -2.57 0.00 0.00 177.10 177.51 1qn1 n HIS 26 N 4.63 0.00 -0.36 2.20 8.25 -1.17 -2.63 115.22 126.13 1qn1 n HIS 26 Ca -0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.21 1qn1 n HIS 26 Cb 0.50 -0.45 0.17 0.00 1.12 0.00 0.00 29.99 31.33 1qn1 n HIS 26 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1qn1 n SER 27 N -1.45 3.72 -0.99 0.41 3.41 -1.26 -3.68 113.62 113.77 1qn1 n SER 27 Ca 0.06 -2.88 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 1qn1 n SER 27 Cb 0.21 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.47 1qn1 n SER 27 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qn1 n THR 28 N -0.20 0.00 -2.05 6.66 -2.24 -1.08 -4.85 114.28 110.52 1qn1 n THR 28 Ca 0.31 -0.38 -0.05 0.00 -2.27 0.00 0.00 64.05 61.66 1qn1 n THR 28 Cb 1.11 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.94 1qn1 n THR 28 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1qn1 n HIS 29 N 0.19 -0.34 0.10 4.78 8.25 -1.24 -4.94 115.22 122.02 1qn1 n HIS 29 Ca -0.04 -0.61 -0.02 0.00 -0.26 0.00 0.00 57.72 56.80 1qn1 n HIS 29 Cb 0.84 0.64 -0.03 0.00 1.12 0.00 0.00 29.99 32.56 1qn1 n HIS 29 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1qn1 h LYS 30 N 0.16 0.00 -0.09 -0.41 2.10 -1.89 -2.94 116.57 113.50 1qn1 h LYS 30 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1qn1 h LYS 30 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1qn1 h LYS 30 CO -0.22 0.73 0.00 -0.40 -2.00 0.00 0.00 179.45 177.56 1qn1 n ASP 31 N -3.29 0.59 -4.70 7.07 5.75 -1.26 -4.77 116.55 115.94 1qn1 n ASP 31 Ca 0.01 -1.74 -0.35 0.00 -0.01 0.00 0.00 54.79 52.70 1qn1 n ASP 31 Cb 0.82 -0.06 -0.09 0.00 -1.03 0.00 0.00 41.12 40.77 1qn1 n ASP 31 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1qn1 s VAL 32 N -1.89 4.42 -0.44 2.12 1.01 -1.11 -5.01 120.40 119.49 1qn1 s VAL 32 Ca 0.19 -0.21 -0.42 0.00 0.00 0.00 0.00 61.98 61.55 1qn1 s VAL 32 Cb 0.10 -2.86 -0.17 0.00 0.00 0.00 0.00 36.38 33.44 1qn1 s VAL 32 CO 0.15 0.61 2.06 0.29 0.00 0.00 0.00 175.10 178.20 1qn1 n LYS 33 N 2.12 0.39 0.15 2.72 4.01 -1.26 -4.69 118.16 121.60 1qn1 n LYS 33 Ca -0.19 0.11 0.18 0.00 -0.51 0.00 0.00 58.31 57.91 1qn1 n LYS 33 Cb 0.54 -1.81 0.70 0.00 -0.51 0.00 0.00 35.03 33.95 1qn1 n LYS 33 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qn1 n ASP 35 N -3.33 5.53 -0.08 0.00 5.75 -1.26 -3.97 116.55 119.18 1qn1 n ASP 35 Ca 0.05 -3.75 -0.09 0.00 -0.01 0.00 0.00 54.79 51.00 1qn1 n ASP 35 Cb 0.65 -0.78 -0.13 0.00 -1.03 0.00 0.00 41.12 39.83 1qn1 n ASP 35 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1qn1 n ASP 36 N -0.97 0.86 -0.08 -1.12 -0.08 0.52 -4.59 116.55 111.09 1qn1 n ASP 36 Ca 0.54 -0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.71 1qn1 n ASP 36 Cb 0.99 0.87 -0.10 0.00 2.34 0.00 0.00 41.12 45.23 1qn1 n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qn1 s HIS 38 N -2.35 3.94 -0.25 0.00 3.76 -1.25 -4.84 115.29 114.29 1qn1 s HIS 38 Ca -0.17 -2.43 0.01 0.00 -0.15 0.00 0.00 55.06 52.31 1qn1 s HIS 38 Cb 0.05 -4.03 0.27 0.00 1.11 0.00 0.00 32.58 29.98 1qn1 s HIS 38 CO 0.48 -1.14 1.66 -2.39 -0.85 0.00 0.00 174.74 172.51 1qn1 n HIS 39 N 3.95 1.46 -2.90 1.40 1.44 -1.26 -4.62 115.22 114.70 1qn1 n HIS 39 Ca 0.28 -1.45 -0.18 0.00 -2.01 0.00 0.00 57.72 54.36 1qn1 n HIS 39 Cb 0.41 -0.72 0.02 0.00 0.12 0.00 0.00 29.99 29.82 1qn1 n HIS 39 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1qn1 s GLN 40 N -1.63 2.71 -0.12 -1.40 1.11 -1.26 -5.06 119.66 114.01 1qn1 s GLN 40 Ca 0.28 -1.12 -0.09 0.00 0.01 0.00 0.00 55.36 54.44 1qn1 s GLN 40 Cb 0.23 -2.67 -0.08 0.00 -1.01 0.00 0.00 33.01 29.48 1qn1 s GLN 40 CO 0.03 -0.44 0.19 -1.00 0.01 0.00 0.00 175.29 174.09 1qn1 h PRO 41 N 0.44 0.00 0.00 2.91 0.13 -1.91 -3.45 132.00 130.13 1qn1 h PRO 41 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1qn1 h PRO 41 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1qn1 h PRO 41 CO 0.47 0.30 0.00 0.41 -0.23 0.00 0.00 178.00 178.95 1qn1 n GLY 42 N 1.71 -1.75 0.33 1.56 0.00 -1.26 -4.82 105.19 100.96 1qn1 n GLY 42 Ca -0.04 0.60 0.21 0.00 0.00 0.00 0.00 46.02 46.78 1qn1 n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qn1 h ASP 43 N 0.00 0.00 0.00 1.61 3.32 -2.01 0.99 116.42 120.33 1qn1 h ASP 43 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qn1 h ASP 43 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1qn1 h ASP 43 CO 0.00 0.00 -1.08 0.29 -1.72 0.00 0.00 179.24 176.73 1qn1 n LYS 44 N -3.21 1.66 -0.35 3.56 5.02 -1.26 -4.50 118.16 119.09 1qn1 n LYS 44 Ca -0.03 -0.06 0.24 0.00 -2.02 0.00 0.00 58.31 56.45 1qn1 n LYS 44 Cb 0.11 -1.18 0.51 0.00 -0.02 0.00 0.00 35.03 34.45 1qn1 n LYS 44 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1qn1 h GLN 45 N 0.00 0.35 -0.49 1.97 4.15 -1.10 1.55 115.11 121.55 1qn1 h GLN 45 Ca 0.00 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1qn1 h GLN 45 Cb 0.42 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1qn1 h GLN 45 CO 0.00 0.23 0.03 0.66 -1.93 0.00 0.00 178.83 177.82 1qn1 n TYR 46 N -4.75 1.75 -4.25 3.99 4.01 -1.23 -4.94 117.16 111.74 1qn1 n TYR 46 Ca 0.29 -0.84 -0.35 0.00 -0.16 0.00 0.00 57.90 56.83 1qn1 n TYR 46 Cb 0.96 -0.47 -0.10 0.00 -0.31 0.00 0.00 39.34 39.43 1qn1 n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qn1 s ALA 47 N -2.83 3.32 1.01 -0.72 0.00 0.53 -5.08 121.76 117.99 1qn1 s ALA 47 Ca 0.51 -0.78 -0.20 0.00 0.00 0.00 0.00 51.96 51.49 1qn1 s ALA 47 Cb 0.40 -1.63 -0.09 0.00 0.00 0.00 0.00 23.12 21.79 1qn1 s ALA 47 CO 0.13 0.44 -0.68 0.41 0.00 0.00 0.00 175.76 176.06 1qn1 n GLY 48 N 2.66 -3.34 0.08 0.00 0.00 -1.26 -4.91 105.19 98.42 1qn1 n GLY 48 Ca -0.18 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1qn1 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 h THR 50 N -0.66 0.00 0.00 0.00 1.35 -1.91 -2.58 112.91 109.11 1qn1 h THR 50 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1qn1 h THR 50 Cb 0.91 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1qn1 h THR 50 CO 0.03 0.00 0.00 0.41 -0.25 0.00 0.00 175.52 175.71 1qn1 n THR 51 N -2.40 0.00 -4.91 6.82 -1.04 -1.26 -3.17 114.28 108.31 1qn1 n THR 51 Ca -0.01 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 1qn1 n THR 51 Cb 0.03 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.40 1qn1 n THR 51 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1qn1 s ASP 52 N -2.95 3.72 -1.36 8.00 2.15 -1.26 -4.62 116.67 120.35 1qn1 s ASP 52 Ca 0.00 -0.34 -0.04 0.00 0.43 0.00 0.00 52.55 52.60 1qn1 s ASP 52 Cb 0.00 -0.65 0.02 0.00 -0.30 0.00 0.00 42.92 41.99 1qn1 s ASP 52 CO 0.00 0.31 0.83 0.61 -0.17 0.00 0.00 175.17 176.75 1qn1 n GLY 53 N 2.09 -0.37 0.00 2.66 0.00 -1.26 -4.90 105.19 103.40 1qn1 n GLY 53 Ca -0.17 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1qn1 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 n HIS 55 N 0.00 3.04 -0.04 0.00 8.25 -0.97 -4.34 115.22 121.16 1qn1 n HIS 55 Ca 0.00 -2.82 -0.22 0.00 -0.26 0.00 0.00 57.72 54.42 1qn1 n HIS 55 Cb 0.00 -1.04 -0.13 0.00 1.12 0.00 0.00 29.99 29.94 1qn1 n HIS 55 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 1qn1 h ASN 56 N 3.85 0.25 -0.47 0.41 -1.07 -1.52 -3.27 115.58 113.77 1qn1 h ASN 56 Ca 0.46 -0.76 -0.81 0.00 0.07 0.00 0.00 56.30 55.26 1qn1 h ASN 56 Cb 0.34 -0.08 -0.02 0.00 -2.07 0.00 0.00 38.32 36.50 1qn1 h ASN 56 CO 1.13 1.67 1.00 -0.38 0.07 0.00 0.00 177.43 180.92 1qn1 n ILE 57 N -3.94 0.00 -1.62 6.14 5.41 -0.80 -4.66 119.36 119.90 1qn1 n ILE 57 Ca -0.31 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.11 1qn1 n ILE 57 Cb 0.88 -0.49 0.06 0.00 -0.71 0.00 0.00 39.64 39.38 1qn1 n ILE 57 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1qn1 n LEU 58 N 5.72 6.99 -4.40 1.39 4.77 -1.26 -2.02 117.00 128.18 1qn1 n LEU 58 Ca 0.43 -4.51 -0.28 0.00 -0.03 0.00 0.00 56.01 51.61 1qn1 n LEU 58 Cb -0.05 -0.84 -0.13 0.00 -2.33 0.00 0.00 43.42 40.08 1qn1 n LEU 58 CO 0.87 1.68 -0.56 -1.81 -1.33 0.00 0.00 177.39 176.25 1qn1 s ASP 59 N -2.15 3.37 -0.21 -1.43 1.01 -1.26 -5.03 116.67 110.96 1qn1 s ASP 59 Ca 0.59 -0.78 0.06 0.00 0.71 0.00 0.00 52.55 53.14 1qn1 s ASP 59 Cb 0.47 -0.24 -0.17 0.00 1.01 0.00 0.00 42.92 43.99 1qn1 s ASP 59 CO -0.07 0.16 -0.12 0.29 0.21 0.00 0.00 175.17 175.64 1qn1 n LYS 60 N 0.71 0.74 0.17 8.23 5.02 -1.26 -4.34 118.16 127.43 1qn1 n LYS 60 Ca -0.16 0.09 0.03 0.00 -2.02 0.00 0.00 58.31 56.24 1qn1 n LYS 60 Cb 0.54 -1.46 0.39 0.00 -0.02 0.00 0.00 35.03 34.48 1qn1 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qn1 h ALA 61 N 0.29 1.48 -2.62 7.82 0.00 -1.98 -3.42 119.26 120.82 1qn1 h ALA 61 Ca -0.50 -0.26 -0.52 0.00 0.00 0.00 0.00 54.91 53.63 1qn1 h ALA 61 Cb 1.89 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1qn1 h ALA 61 CO -0.04 0.38 0.46 -0.51 0.00 0.00 0.00 179.25 179.53 1qn1 s ASP 62 N -6.93 7.31 0.00 0.00 1.11 -1.26 -5.04 116.67 111.85 1qn1 s ASP 62 Ca -0.04 2.02 0.00 0.00 0.18 0.00 0.00 52.55 54.71 1qn1 s ASP 62 Cb 0.15 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.54 1qn1 s ASP 62 CO 0.72 -0.20 0.00 1.17 1.18 0.00 0.00 175.17 178.04 1qn1 n LYS 63 N 2.57 2.48 0.00 8.23 4.81 -1.26 -4.91 118.16 130.07 1qn1 n LYS 63 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1qn1 n LYS 63 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 1qn1 n LYS 63 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1qn1 n SER 64 N 0.00 0.00 -1.87 3.14 3.41 -1.26 -4.56 113.62 112.48 1qn1 n SER 64 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 1qn1 n SER 64 Cb 0.00 0.23 0.07 0.00 -0.26 0.00 0.00 64.21 64.26 1qn1 n SER 64 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1qn1 n VAL 65 N -1.53 2.68 -0.05 -3.33 3.14 -1.26 -3.74 118.33 114.24 1qn1 n VAL 65 Ca 0.00 -1.59 0.02 0.00 -2.96 0.00 0.00 64.34 59.82 1qn1 n VAL 65 Cb 0.00 -1.04 0.05 0.00 -1.06 0.00 0.00 33.84 31.79 1qn1 n VAL 65 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1qn1 n ASN 66 N -0.15 2.28 -4.48 6.55 4.13 -1.26 -4.72 115.26 117.62 1qn1 n ASN 66 Ca 0.36 -1.95 -0.43 0.00 1.68 0.00 0.00 54.58 54.25 1qn1 n ASN 66 Cb 0.84 -0.08 -0.09 0.00 -1.54 0.00 0.00 39.78 38.91 1qn1 n ASN 66 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1qn1 s SER 67 N -0.96 6.16 0.41 6.41 0.01 -1.25 -1.90 113.70 122.59 1qn1 s SER 67 Ca 0.08 -0.73 0.23 0.00 1.31 0.00 0.00 55.95 56.85 1qn1 s SER 67 Cb 0.04 -2.20 1.24 0.00 0.21 0.00 0.00 66.02 65.32 1qn1 s SER 67 CO 0.06 -0.51 1.71 -0.25 0.41 0.00 0.00 173.24 174.65 1qn1 h TRP 68 N 8.67 0.60 -1.27 2.43 -0.00 -1.45 0.31 115.95 125.24 1qn1 h TRP 68 Ca -0.27 0.02 -0.62 0.00 -0.00 0.00 0.00 58.89 58.03 1qn1 h TRP 68 Cb 1.12 -0.16 -0.18 0.00 -0.00 0.00 0.00 29.16 29.93 1qn1 h TRP 68 CO 0.60 -0.05 1.06 0.98 -0.00 0.00 0.00 178.44 181.02 1qn1 n TYR 69 N -4.66 2.10 0.15 2.65 9.36 -1.26 -3.95 117.16 121.54 1qn1 n TYR 69 Ca 0.30 -2.26 0.00 0.00 3.32 0.00 0.00 57.90 59.26 1qn1 n TYR 69 Cb 1.10 -1.47 0.00 0.00 -0.63 0.00 0.00 39.34 38.34 1qn1 n TYR 69 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1qn1 n LYS 70 N 0.89 0.00 0.00 2.98 4.81 0.11 -4.75 118.16 122.20 1qn1 n LYS 70 Ca 0.53 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 58.07 1qn1 n LYS 70 Cb 0.41 0.00 0.59 0.00 0.02 0.00 0.00 35.03 36.05 1qn1 n LYS 70 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1qn1 n VAL 71 N -3.36 0.14 -0.07 3.15 0.24 -1.23 0.63 118.33 117.83 1qn1 n VAL 71 Ca 0.00 0.04 -0.21 0.00 -2.04 0.00 0.00 64.34 62.13 1qn1 n VAL 71 Cb 0.00 -0.70 -0.13 0.00 -1.47 0.00 0.00 33.84 31.54 1qn1 n VAL 71 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1qn1 n VAL 72 N -1.11 1.62 -0.71 3.34 0.31 -1.25 -4.30 118.33 116.22 1qn1 n VAL 72 Ca 0.14 -0.56 0.08 0.00 -0.01 0.00 0.00 64.34 63.99 1qn1 n VAL 72 Cb 0.11 -1.63 0.29 0.00 -0.91 0.00 0.00 33.84 31.70 1qn1 n VAL 72 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1qn1 n HIS 73 N -3.51 1.18 -0.77 3.52 8.25 -1.04 -3.68 115.22 119.19 1qn1 n HIS 73 Ca -0.40 -0.70 -0.23 0.00 -0.26 0.00 0.00 57.72 56.13 1qn1 n HIS 73 Cb 0.99 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 31.81 1qn1 n HIS 73 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1qn1 n ASP 74 N 0.36 4.87 -0.46 0.41 -0.08 0.21 -4.58 116.55 117.27 1qn1 n ASP 74 Ca 0.22 -2.34 0.42 0.00 -1.51 0.00 0.00 54.79 51.58 1qn1 n ASP 74 Cb 0.85 -1.10 0.78 0.00 2.34 0.00 0.00 41.12 43.98 1qn1 n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qn1 h ALA 75 N 6.37 3.40 -0.26 -1.67 0.00 -1.86 1.50 119.26 126.73 1qn1 h ALA 75 Ca 0.50 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 1qn1 h ALA 75 Cb 0.18 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1qn1 h ALA 75 CO 1.47 -1.84 -0.01 -0.22 0.00 0.00 0.00 179.25 178.66 1qn1 h LYS 76 N 0.00 0.46 0.00 0.00 3.64 -1.96 -3.39 116.57 115.32 1qn1 h LYS 76 Ca 0.70 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1qn1 h LYS 76 Cb 2.84 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 34.62 1qn1 h LYS 76 CO -0.01 0.63 0.00 0.41 -2.27 0.00 0.00 179.45 178.22 1qn1 n GLY 77 N -0.30 -1.04 0.00 5.01 0.00 0.51 -5.03 105.19 104.34 1qn1 n GLY 77 Ca -0.03 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1qn1 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qn1 n GLY 78 N -0.29 5.23 0.37 -0.02 0.00 -1.26 -4.97 105.19 104.26 1qn1 n GLY 78 Ca 0.00 -1.54 0.20 0.00 0.00 0.00 0.00 46.02 44.68 1qn1 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 h ALA 79 N 1.00 2.23 -3.45 4.61 0.00 -2.03 -3.40 119.26 118.23 1qn1 h ALA 79 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 1qn1 h ALA 79 Cb 0.00 0.03 -0.24 0.00 0.00 0.00 0.00 17.79 17.58 1qn1 h ALA 79 CO 0.00 -0.58 -0.74 0.21 0.00 0.00 0.00 179.25 178.13 1qn1 s LYS 80 N -4.80 0.50 0.79 0.00 2.20 -1.26 -5.14 119.74 112.02 1qn1 s LYS 80 Ca -0.05 -0.55 -0.14 0.00 -0.36 0.00 0.00 55.97 54.87 1qn1 s LYS 80 Cb 0.17 -0.35 0.04 0.00 -1.51 0.00 0.00 37.83 36.18 1qn1 s LYS 80 CO 0.63 0.08 0.94 -0.35 -0.36 0.00 0.00 175.35 176.29 1qn1 n PRO 81 N 2.01 0.24 0.00 4.03 -0.04 -1.26 -4.91 135.00 135.06 1qn1 n PRO 81 Ca -0.19 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1qn1 n PRO 81 Cb 0.56 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 1qn1 n PRO 81 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1qn1 n THR 82 N -2.97 0.00 0.00 0.52 -2.24 -1.26 -4.93 114.28 103.39 1qn1 n THR 82 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1qn1 n THR 82 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1qn1 n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qn1 h ILE 84 N 0.00 1.61 0.00 0.00 2.04 -1.85 -3.14 117.51 116.17 1qn1 h ILE 84 Ca 0.00 -3.14 0.00 0.00 1.00 0.00 0.00 64.86 62.72 1qn1 h ILE 84 Cb 0.20 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1qn1 h ILE 84 CO 0.00 0.90 0.00 -1.54 0.00 0.00 0.00 178.15 177.51 1qn1 n SER 85 N -3.47 0.00 -0.35 1.72 3.41 -1.26 0.19 113.62 113.86 1qn1 n SER 85 Ca -0.03 0.43 -0.04 0.00 -0.26 0.00 0.00 58.87 58.97 1qn1 n SER 85 Cb 0.93 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.86 1qn1 n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qn1 h HIS 87 N 0.00 -1.36 -0.51 0.00 -0.00 -1.50 0.59 115.15 112.38 1qn1 h HIS 87 Ca 0.25 0.06 0.13 0.00 -0.00 0.00 0.00 60.37 60.81 1qn1 h HIS 87 Cb 0.47 0.63 -0.02 0.00 -0.00 0.00 0.00 27.41 28.49 1qn1 h HIS 87 CO -0.83 -0.48 0.36 -0.22 -0.00 0.00 0.00 177.93 176.76 1qn1 h LYS 88 N -0.42 0.08 -0.18 2.45 3.64 0.72 1.53 116.57 124.39 1qn1 h LYS 88 Ca 0.10 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1qn1 h LYS 88 Cb 0.61 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1qn1 h LYS 88 CO -0.51 0.05 0.00 -3.47 -2.27 0.00 0.00 179.45 173.26 1qn1 n ASP 89 N -4.41 1.24 -3.24 4.20 2.03 0.18 -4.07 116.55 112.48 1qn1 n ASP 89 Ca 0.09 -1.81 -0.25 0.00 0.52 0.00 0.00 54.79 53.35 1qn1 n ASP 89 Cb 0.53 -0.12 -0.07 0.00 -0.72 0.00 0.00 41.12 40.74 1qn1 n ASP 89 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1qn1 n LYS 90 N 0.10 1.00 0.00 -0.67 4.76 0.52 -4.88 118.16 119.00 1qn1 n LYS 90 Ca 0.12 -3.47 0.00 0.00 -2.87 0.00 0.00 58.31 52.09 1qn1 n LYS 90 Cb 0.23 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1qn1 n LYS 90 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qn1 n ALA 91 N 1.36 0.00 0.00 7.82 0.00 -1.23 -4.85 120.51 123.62 1qn1 n ALA 91 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1qn1 n ALA 91 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1qn1 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qn1 n GLY 92 N 0.00 -0.04 1.54 0.00 0.00 -1.26 -4.36 105.19 101.07 1qn1 n GLY 92 Ca 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.09 1qn1 n GLY 92 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qn1 n ASP 93 N 0.00 3.78 -4.36 1.61 5.75 -1.26 -4.71 116.55 117.36 1qn1 n ASP 93 Ca 0.00 -2.76 -0.46 0.00 -0.01 0.00 0.00 54.79 51.56 1qn1 n ASP 93 Cb 0.00 -0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 39.42 1qn1 n ASP 93 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1qn1 s ASP 94 N -0.47 6.96 0.53 -1.12 1.11 -1.26 -4.86 116.67 117.56 1qn1 s ASP 94 Ca 0.35 -2.94 0.47 0.00 0.18 0.00 0.00 52.55 50.61 1qn1 s ASP 94 Cb 0.28 -2.25 1.66 0.00 1.07 0.00 0.00 42.92 43.67 1qn1 s ASP 94 CO 0.09 -0.55 1.50 0.29 1.18 0.00 0.00 175.17 177.68 1qn1 n LYS 95 N 4.02 -0.00 0.07 8.23 5.02 -1.26 0.13 118.16 134.37 1qn1 n LYS 95 Ca 0.21 1.06 -0.12 0.00 -2.02 0.00 0.00 58.31 57.44 1qn1 n LYS 95 Cb 0.44 -2.41 -0.05 0.00 -0.02 0.00 0.00 35.03 32.99 1qn1 n LYS 95 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1qn1 h GLU 96 N 0.00 -0.42 -0.06 1.97 4.57 -1.97 1.56 114.58 120.22 1qn1 h GLU 96 Ca 0.91 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 59.11 1qn1 h GLU 96 Cb 3.58 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 32.27 1qn1 h GLU 96 CO -0.05 -0.28 0.00 -0.11 -1.18 0.00 0.00 179.01 177.39 1qn1 n LEU 97 N -5.39 1.82 -0.05 1.64 0.00 0.35 -3.72 117.00 111.65 1qn1 n LEU 97 Ca -0.05 -0.65 -0.12 0.00 0.00 0.00 0.00 56.01 55.19 1qn1 n LEU 97 Cb 0.30 -0.03 -0.14 0.00 0.00 0.00 0.00 43.42 43.55 1qn1 n LEU 97 CO 0.21 0.33 -0.86 1.17 0.00 0.00 0.00 177.39 178.24 1qn1 n LYS 98 N 0.42 0.67 -0.01 1.96 0.00 0.96 -4.29 118.16 117.88 1qn1 n LYS 98 Ca 0.18 0.18 -0.12 0.00 0.00 0.00 0.00 58.31 58.54 1qn1 n LYS 98 Cb 0.39 -1.66 -0.08 0.00 0.00 0.00 0.00 35.03 33.68 1qn1 n LYS 98 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1qn1 h LYS 99 N 0.01 0.09 -4.50 1.64 1.57 0.21 -2.50 116.57 113.08 1qn1 h LYS 99 Ca -0.42 -0.02 -0.74 0.00 -1.87 0.00 0.00 60.65 57.59 1qn1 h LYS 99 Cb 2.08 -0.01 -0.21 0.00 0.08 0.00 0.00 32.23 34.17 1qn1 h LYS 99 CO 0.05 0.32 0.79 0.21 -0.57 0.00 0.00 179.45 180.25 1qn1 s LYS 100 N -5.15 3.83 0.00 3.15 2.20 -1.25 -1.31 119.74 121.22 1qn1 s LYS 100 Ca -0.14 -2.35 0.00 0.00 -0.36 0.00 0.00 55.97 53.12 1qn1 s LYS 100 Cb 0.04 -4.81 0.00 0.00 -1.51 0.00 0.00 37.83 31.55 1qn1 s LYS 100 CO 0.68 -1.60 0.00 1.28 -0.36 0.00 0.00 175.35 175.35 1qn1 n LEU 101 N 5.23 0.00 0.00 5.43 4.32 -1.25 -4.87 117.00 125.86 1qn1 n LEU 101 Ca 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1qn1 n LEU 101 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1qn1 n LEU 101 CO 0.50 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 177.02 1qn1 n THR 102 N 0.00 0.00 -0.90 -5.08 -2.24 -1.06 -4.74 114.28 100.26 1qn1 n THR 102 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1qn1 n THR 102 Cb 0.00 -0.25 0.03 0.00 -2.10 0.00 0.00 70.33 68.01 1qn1 n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qn1 n GLY 103 N 1.44 -3.76 0.00 3.38 0.00 -0.42 -4.96 105.19 100.86 1qn1 n GLY 103 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1qn1 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 s LYS 105 N -0.63 3.19 0.00 0.00 2.20 -1.26 -3.19 119.74 120.06 1qn1 s LYS 105 Ca 0.00 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1qn1 s LYS 105 Cb 0.00 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 1qn1 s LYS 105 CO 0.00 -2.10 0.00 0.41 -0.36 0.00 0.00 175.35 173.30 1qn1 n GLY 106 N 5.42 1.53 3.37 5.54 0.00 -1.24 -4.99 105.19 114.82 1qn1 n GLY 106 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1qn1 n GLY 106 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qn1 s SER 107 N -2.00 2.52 -0.13 1.61 0.15 -1.19 -4.25 113.70 110.41 1qn1 s SER 107 Ca 0.00 -1.10 -0.05 0.00 0.70 0.00 0.00 55.95 55.49 1qn1 s SER 107 Cb 0.00 -0.13 -0.17 0.00 -1.71 0.00 0.00 66.02 64.02 1qn1 s SER 107 CO 0.00 -0.28 3.34 0.00 1.20 0.00 0.00 173.24 177.50 1qn1 n ALA 108 N -0.45 6.33 0.00 5.45 0.00 -1.26 -3.36 120.51 127.22 1qn1 n ALA 108 Ca -0.07 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.25 1qn1 n ALA 108 Cb 0.62 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1qn1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qn1 n HIS 110 N -2.49 1.25 -2.92 0.00 -0.00 -1.21 -4.59 115.22 105.26 1qn1 n HIS 110 Ca 0.00 -3.83 -0.40 0.00 -0.00 0.00 0.00 57.72 53.49 1qn1 n HIS 110 Cb 0.00 -0.20 -0.06 0.00 -0.00 0.00 0.00 29.99 29.73 1qn1 n HIS 110 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1qn1 s PRO 111 N -0.77 4.61 0.00 -0.41 0.04 -1.23 -3.67 135.00 133.57 1qn1 s PRO 111 Ca 0.29 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1qn1 s PRO 111 Cb 0.00 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1qn1 s PRO 111 CO -0.18 0.45 0.00 -1.13 0.04 0.00 0.00 177.00 176.18