#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 -5.21 -4.03 6.55 9.92 -1.26 -4.88 116.55 117.64 1qn1 n ASP 2 Ca 0.00 0.23 -0.33 0.00 -0.53 0.00 0.00 54.79 54.15 1qn1 n ASP 2 Cb 0.00 -0.70 -0.09 0.00 -0.64 0.00 0.00 41.12 39.69 1qn1 n ASP 2 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1qn1 s VAL 3 N -1.82 3.80 0.75 2.53 1.01 -1.26 -5.06 120.40 120.35 1qn1 s VAL 3 Ca 0.39 -3.97 -0.08 0.00 0.00 0.00 0.00 61.98 58.32 1qn1 s VAL 3 Cb -0.21 -3.40 0.16 0.00 0.00 0.00 0.00 36.38 32.94 1qn1 s VAL 3 CO 0.73 -1.05 1.03 -0.81 0.00 0.00 0.00 175.10 175.01 1qn1 n PRO 4 N 2.26 -0.60 0.00 2.72 -0.04 -1.26 -4.87 135.00 133.21 1qn1 n PRO 4 Ca 0.20 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.57 1qn1 n PRO 4 Cb 0.36 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 -3.35 0.00 -3.77 0.55 0.00 -1.26 -5.01 120.51 107.67 1qn1 n ALA 5 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 1qn1 n ALA 5 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 1qn1 n ALA 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qn1 s ASP 6 N -3.39 -0.09 -1.44 0.00 1.11 -1.26 -4.76 116.67 106.84 1qn1 s ASP 6 Ca 0.00 -0.41 -0.08 0.00 0.18 0.00 0.00 52.55 52.24 1qn1 s ASP 6 Cb 0.00 0.40 0.02 0.00 1.07 0.00 0.00 42.92 44.41 1qn1 s ASP 6 CO 0.00 -0.76 0.97 0.61 1.18 0.00 0.00 175.17 177.17 1qn1 n GLY 7 N -0.56 -0.54 3.55 0.21 0.00 -1.24 -4.88 105.19 101.73 1qn1 n GLY 7 Ca -0.05 0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.26 3.44 0.02 4.61 0.00 -1.25 -4.90 121.76 120.41 1qn1 s ALA 8 Ca 0.50 -2.97 -0.32 0.00 0.00 0.00 0.00 51.96 49.17 1qn1 s ALA 8 Cb -0.22 -4.49 -0.10 0.00 0.00 0.00 0.00 23.12 18.30 1qn1 s ALA 8 CO 0.61 -3.19 1.91 0.36 0.00 0.00 0.00 175.76 175.46 1qn1 n LYS 9 N 7.71 2.61 -3.45 0.00 0.00 -1.26 -3.58 118.16 120.19 1qn1 n LYS 9 Ca 0.44 0.96 -0.41 0.00 -0.00 0.00 0.00 58.31 59.29 1qn1 n LYS 9 Cb 0.46 -2.86 -0.10 0.00 -0.00 0.00 0.00 35.03 32.53 1qn1 n LYS 9 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1qn1 s ILE 10 N 3.94 5.22 -0.47 0.58 1.01 0.34 -4.83 121.20 126.99 1qn1 s ILE 10 Ca 0.89 -0.21 0.06 0.00 0.00 0.00 0.00 60.65 61.39 1qn1 s ILE 10 Cb -0.53 -3.82 0.24 0.00 0.01 0.00 0.00 42.46 38.35 1qn1 s ILE 10 CO 0.44 -0.13 0.82 -0.67 0.00 0.00 0.00 174.94 175.40 1qn1 n ASP 11 N 5.27 -2.38 -0.13 3.58 2.03 -1.26 -1.13 116.55 122.52 1qn1 n ASP 11 Ca -0.11 -3.20 0.04 0.00 0.52 0.00 0.00 54.79 52.05 1qn1 n ASP 11 Cb 0.49 1.41 0.18 0.00 -0.72 0.00 0.00 41.12 42.48 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 1.63 0.08 -5.06 -0.67 3.72 -1.26 -4.75 117.46 111.15 1qn1 n PHE 12 Ca 0.11 -0.04 -0.32 0.00 -0.05 0.00 0.00 57.45 57.15 1qn1 n PHE 12 Cb 0.61 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 39.01 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 -1.92 2.62 -0.73 4.37 1.09 -1.26 -5.04 121.20 120.34 1qn1 s ILE 13 Ca 0.12 -0.88 0.03 0.00 -1.10 0.00 0.00 60.65 58.82 1qn1 s ILE 13 Cb 0.06 -2.00 0.34 0.00 -1.06 0.00 0.00 42.46 39.81 1qn1 s ILE 13 CO 0.09 0.58 1.31 0.00 -0.10 0.00 0.00 174.94 176.82 1qn1 n ALA 14 N 2.54 5.28 -1.00 9.38 0.00 -1.26 -4.69 120.51 130.76 1qn1 n ALA 14 Ca -0.17 -4.61 0.00 0.00 0.00 0.00 0.00 53.44 48.66 1qn1 n ALA 14 Cb 0.52 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.23 -3.32 0.00 0.00 0.00 -1.26 -4.99 105.19 95.39 1qn1 n GLY 15 Ca 0.38 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.86 1qn1 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qn1 n GLY 16 N -0.78 2.32 0.27 -0.02 0.00 -1.26 -5.05 105.19 100.68 1qn1 n GLY 16 Ca 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 1qn1 n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qn1 n GLU 17 N 0.00 -0.28 -0.75 1.61 2.13 -1.26 -1.14 120.64 120.94 1qn1 n GLU 17 Ca 0.00 1.28 -0.25 0.00 0.66 0.00 0.00 57.16 58.85 1qn1 n GLU 17 Cb 0.00 -1.89 -0.02 0.00 0.27 0.00 0.00 31.44 29.80 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 -4.46 1.78 -0.52 5.31 5.02 -1.26 -4.89 118.16 119.14 1qn1 n LYS 18 Ca 0.01 -1.45 -0.18 0.00 -2.02 0.00 0.00 58.31 54.67 1qn1 n LYS 18 Cb 0.17 -2.51 0.15 0.00 -0.02 0.00 0.00 35.03 32.82 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 4.97 -3.05 -3.70 4.39 2.85 -0.29 -4.98 115.26 115.44 1qn1 n ASN 19 Ca 0.42 -0.40 -0.27 0.00 -0.11 0.00 0.00 54.58 54.21 1qn1 n ASN 19 Cb 0.18 -0.77 -0.17 0.00 1.24 0.00 0.00 39.78 40.26 1qn1 n ASN 19 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 1qn1 s LEU 20 N -0.10 0.92 -0.10 1.20 2.34 -1.26 -5.00 118.68 116.69 1qn1 s LEU 20 Ca 0.37 -0.72 0.03 0.00 0.06 0.00 0.00 54.13 53.87 1qn1 s LEU 20 Cb -0.06 -0.49 0.01 0.00 -0.56 0.00 0.00 46.19 45.08 1qn1 s LEU 20 CO 0.34 -0.31 -0.19 -0.89 -1.06 0.00 0.00 176.35 174.24 1qn1 s THR 21 N 1.94 1.73 -0.15 5.48 2.01 -1.26 -4.32 115.64 121.08 1qn1 s THR 21 Ca 0.00 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 1qn1 s THR 21 Cb -0.16 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 1qn1 s THR 21 CO -0.08 0.49 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.57 1qn1 s VAL 22 N 0.65 3.50 -0.13 3.82 1.01 -0.28 -4.82 120.40 124.15 1qn1 s VAL 22 Ca -0.13 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1qn1 s VAL 22 Cb -0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1qn1 s VAL 22 CO 0.03 0.50 0.59 -0.69 0.00 0.00 0.00 175.10 175.53 1qn1 s VAL 23 N 0.46 5.10 0.13 2.92 1.01 -1.26 0.13 120.40 128.88 1qn1 s VAL 23 Ca -0.06 1.16 0.06 0.00 0.00 0.00 0.00 61.98 63.14 1qn1 s VAL 23 Cb -0.15 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1qn1 s VAL 23 CO 0.04 0.24 -0.02 0.12 0.00 0.00 0.00 175.10 175.47 1qn1 s PHE 24 N 1.08 2.87 -0.07 5.22 2.19 -1.24 -4.98 117.98 123.04 1qn1 s PHE 24 Ca 0.30 -0.11 -0.03 0.00 0.33 0.00 0.00 56.93 57.43 1qn1 s PHE 24 Cb -0.16 -1.44 0.04 0.00 -1.31 0.00 0.00 43.02 40.15 1qn1 s PHE 24 CO 0.13 0.49 0.10 -0.80 1.83 0.00 0.00 175.22 176.96 1qn1 s ASN 25 N -2.60 1.16 0.00 6.13 -0.87 -1.26 -3.61 114.94 113.89 1qn1 s ASN 25 Ca 0.26 0.07 0.17 0.00 -1.57 0.00 0.00 52.86 51.79 1qn1 s ASN 25 Cb -0.10 -0.00 0.91 0.00 -0.02 0.00 0.00 41.25 42.03 1qn1 s ASN 25 CO 0.18 -0.26 1.49 1.41 -2.57 0.00 0.00 177.10 177.34 1qn1 n HIS 26 N 5.31 0.00 -0.82 2.20 8.25 -1.26 -2.26 115.22 126.64 1qn1 n HIS 26 Ca -0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.36 1qn1 n HIS 26 Cb 0.50 -0.21 0.28 0.00 1.12 0.00 0.00 29.99 31.67 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 -1.21 4.57 -1.07 0.41 3.41 -1.26 -3.94 113.62 114.53 1qn1 n SER 27 Ca 0.09 -3.09 -0.00 0.00 -0.26 0.00 0.00 58.87 55.61 1qn1 n SER 27 Cb 0.12 -0.73 -0.01 0.00 -0.26 0.00 0.00 64.21 63.33 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 -0.09 0.00 -2.06 6.66 -2.24 -0.96 -4.85 114.28 110.73 1qn1 n THR 28 Ca 0.37 -0.44 -0.05 0.00 -2.27 0.00 0.00 64.05 61.66 1qn1 n THR 28 Cb 1.29 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 70.16 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 0.22 -0.35 0.08 4.78 8.25 -1.25 -4.94 115.22 122.01 1qn1 n HIS 29 Ca -0.05 -0.62 -0.03 0.00 -0.26 0.00 0.00 57.72 56.76 1qn1 n HIS 29 Cb 0.88 0.65 -0.07 0.00 1.12 0.00 0.00 29.99 32.57 1qn1 n HIS 29 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1qn1 h LYS 30 N 0.17 0.00 -0.03 -0.41 1.57 -1.89 -3.01 116.57 112.96 1qn1 h LYS 30 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1qn1 h LYS 30 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1qn1 h LYS 30 CO -0.23 0.76 0.00 -0.40 -0.57 0.00 0.00 179.45 179.01 1qn1 n ASP 31 N -3.27 0.33 -4.71 0.86 5.75 -1.26 -4.77 116.55 109.48 1qn1 n ASP 31 Ca -0.01 -1.51 -0.33 0.00 -0.01 0.00 0.00 54.79 52.94 1qn1 n ASP 31 Cb 0.87 -0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.85 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 -1.96 4.34 0.07 2.12 1.01 -1.14 -5.06 120.40 119.78 1qn1 s VAL 32 Ca 0.27 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 1qn1 s VAL 32 Cb 0.13 -2.93 -0.08 0.00 0.00 0.00 0.00 36.38 33.50 1qn1 s VAL 32 CO 0.21 0.40 1.60 -0.54 0.00 0.00 0.00 175.10 176.77 1qn1 s LYS 33 N -1.51 4.21 0.00 2.72 3.01 -1.26 -4.83 119.74 122.08 1qn1 s LYS 33 Ca 0.19 2.28 0.10 0.00 -1.01 0.00 0.00 55.97 57.53 1qn1 s LYS 33 Cb -0.12 -3.53 0.45 0.00 -1.01 0.00 0.00 37.83 33.63 1qn1 s LYS 33 CO 0.10 -0.69 1.30 0.00 0.51 0.00 0.00 175.35 176.57 1qn1 n ASP 35 N -1.45 0.73 0.15 0.00 5.68 -1.25 0.21 116.55 120.61 1qn1 n ASP 35 Ca 0.03 0.36 0.09 0.00 -0.50 0.00 0.00 54.79 54.77 1qn1 n ASP 35 Cb 0.11 -0.37 0.06 0.00 -1.14 0.00 0.00 41.12 39.78 1qn1 n ASP 35 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1qn1 h ASP 36 N 0.00 0.00 0.00 -1.12 3.58 -1.13 -3.27 116.42 114.49 1qn1 h ASP 36 Ca 0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1qn1 h ASP 36 Cb 0.72 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 1qn1 h ASP 36 CO 0.00 0.16 -1.53 0.00 -2.88 0.00 0.00 179.24 174.98 1qn1 s HIS 38 N -2.19 3.51 -0.40 0.00 3.76 0.57 -4.92 115.29 115.63 1qn1 s HIS 38 Ca -0.11 -3.13 0.01 0.00 -0.15 0.00 0.00 55.06 51.68 1qn1 s HIS 38 Cb 0.03 -2.93 0.45 0.00 1.11 0.00 0.00 32.58 31.23 1qn1 s HIS 38 CO 0.23 -0.68 1.82 -2.39 -0.85 0.00 0.00 174.74 172.87 1qn1 n HIS 39 N 2.58 2.37 -3.26 1.40 -0.00 -1.23 -3.84 115.22 113.25 1qn1 n HIS 39 Ca 0.14 -1.89 -0.20 0.00 -0.00 0.00 0.00 57.72 55.78 1qn1 n HIS 39 Cb 0.35 -0.94 0.00 0.00 -0.00 0.00 0.00 29.99 29.40 1qn1 n HIS 39 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1qn1 s GLN 40 N -2.64 3.04 0.44 -1.40 -0.21 -1.26 -5.10 119.66 112.53 1qn1 s GLN 40 Ca 0.45 -0.91 -0.21 0.00 0.02 0.00 0.00 55.36 54.71 1qn1 s GLN 40 Cb 0.37 -2.74 -0.10 0.00 1.00 0.00 0.00 33.01 31.55 1qn1 s GLN 40 CO 0.05 -0.10 0.98 -1.25 -2.12 0.00 0.00 175.29 172.86 1qn1 s PRO 41 N -4.31 4.12 -0.51 2.91 0.04 -1.26 -4.68 135.00 131.29 1qn1 s PRO 41 Ca 0.48 1.24 -0.28 0.00 0.04 0.00 0.00 61.00 62.48 1qn1 s PRO 41 Cb -0.10 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1qn1 s PRO 41 CO 0.33 -0.14 2.41 0.41 0.04 0.00 0.00 177.00 180.06 1qn1 n GLY 42 N -0.36 0.22 0.00 0.56 0.00 -1.26 -2.30 105.19 102.05 1qn1 n GLY 42 Ca 0.07 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1qn1 n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qn1 n ASP 43 N 14.26 0.00 -0.74 1.61 8.00 -1.26 -4.92 116.55 133.50 1qn1 n ASP 43 Ca 0.40 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.95 1qn1 n ASP 43 Cb 0.44 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.63 1qn1 n ASP 43 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qn1 n LYS 44 N 0.00 0.66 0.23 -1.24 4.01 -0.97 -4.80 118.16 116.05 1qn1 n LYS 44 Ca 0.00 -2.21 0.17 0.00 -0.51 0.00 0.00 58.31 55.76 1qn1 n LYS 44 Cb 0.00 -0.83 0.75 0.00 -0.51 0.00 0.00 35.03 34.44 1qn1 n LYS 44 CO 0.00 0.00 0.00 0.37 -1.11 0.00 0.00 177.40 176.66 1qn1 h GLN 45 N 0.56 0.00 -0.41 1.97 4.15 -1.80 1.51 115.11 121.09 1qn1 h GLN 45 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1qn1 h GLN 45 Cb 1.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.06 1qn1 h GLN 45 CO 0.03 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.59 1qn1 n TYR 46 N -3.20 1.46 -2.70 3.99 4.01 -1.26 -4.70 117.16 114.76 1qn1 n TYR 46 Ca 0.02 -0.81 -0.41 0.00 -0.16 0.00 0.00 57.90 56.54 1qn1 n TYR 46 Cb 0.52 -0.40 -0.05 0.00 -0.31 0.00 0.00 39.34 39.10 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 -2.79 3.28 0.59 -0.72 0.00 0.52 -4.97 121.76 117.66 1qn1 s ALA 47 Ca 0.48 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 1qn1 s ALA 47 Cb 0.38 -3.28 -0.14 0.00 0.00 0.00 0.00 23.12 20.07 1qn1 s ALA 47 CO 0.12 -0.01 -0.27 0.41 0.00 0.00 0.00 175.76 176.01 1qn1 n GLY 48 N 2.06 -3.40 0.10 0.00 0.00 -1.26 -4.89 105.19 97.81 1qn1 n GLY 48 Ca 0.01 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.45 0.00 0.00 0.00 1.35 -1.90 -2.23 112.91 109.69 1qn1 h THR 50 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1qn1 h THR 50 Cb 1.11 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1qn1 h THR 50 CO 0.07 0.00 0.00 0.41 -0.25 0.00 0.00 175.52 175.75 1qn1 n THR 51 N -2.77 0.00 -5.17 6.82 -1.04 -1.26 -3.24 114.28 107.62 1qn1 n THR 51 Ca -0.03 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.66 1qn1 n THR 51 Cb 0.11 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.47 1qn1 n THR 51 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1qn1 s ASP 52 N -3.02 3.35 -1.38 8.00 1.11 -1.26 -4.66 116.67 118.80 1qn1 s ASP 52 Ca 0.00 -0.39 -0.07 0.00 0.18 0.00 0.00 52.55 52.27 1qn1 s ASP 52 Cb 0.00 -0.49 0.03 0.00 1.07 0.00 0.00 42.92 43.53 1qn1 s ASP 52 CO 0.00 0.33 0.95 0.61 1.18 0.00 0.00 175.17 178.24 1qn1 n GLY 53 N 2.37 -0.43 0.00 0.21 0.00 -1.26 -4.91 105.19 101.17 1qn1 n GLY 53 Ca -0.16 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 2.83 -0.06 0.00 8.25 -0.84 -4.35 115.22 121.05 1qn1 n HIS 55 Ca 0.00 -2.62 -0.21 0.00 -0.26 0.00 0.00 57.72 54.62 1qn1 n HIS 55 Cb 0.00 -1.17 -0.13 0.00 1.12 0.00 0.00 29.99 29.82 1qn1 n HIS 55 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 1qn1 h ASN 56 N 4.15 0.17 -0.48 0.41 -0.73 -1.55 -3.25 115.58 114.31 1qn1 h ASN 56 Ca 0.52 -0.70 -0.82 0.00 1.87 0.00 0.00 56.30 57.17 1qn1 h ASN 56 Cb 0.33 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 1qn1 h ASN 56 CO 1.17 1.59 1.02 -0.38 -0.37 0.00 0.00 177.43 180.46 1qn1 n ILE 57 N -4.11 0.00 -1.62 2.57 5.41 -0.90 -4.63 119.36 116.09 1qn1 n ILE 57 Ca -0.30 -0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.11 1qn1 n ILE 57 Cb 0.81 -0.50 0.06 0.00 -0.71 0.00 0.00 39.64 39.29 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 5.84 7.15 -4.07 1.39 4.77 -1.26 -1.71 117.00 129.11 1qn1 n LEU 58 Ca 0.44 -4.52 -0.17 0.00 -0.03 0.00 0.00 56.01 51.72 1qn1 n LEU 58 Cb -0.05 -0.89 -0.13 0.00 -2.33 0.00 0.00 43.42 40.02 1qn1 n LEU 58 CO 0.89 1.66 -0.43 -0.62 -1.33 0.00 0.00 177.39 177.56 1qn1 s ASP 59 N -1.99 1.15 0.00 -1.43 -1.08 -1.26 -5.00 116.67 107.07 1qn1 s ASP 59 Ca 0.59 -0.36 0.26 0.00 -0.52 0.00 0.00 52.55 52.52 1qn1 s ASP 59 Cb 0.48 -0.07 0.60 0.00 -1.46 0.00 0.00 42.92 42.47 1qn1 s ASP 59 CO -0.11 -0.00 1.47 2.29 0.52 0.00 0.00 175.17 179.34 1qn1 n LYS 60 N 2.17 0.69 -0.13 4.34 2.85 -1.26 -3.97 118.16 122.86 1qn1 n LYS 60 Ca -0.17 -0.44 -0.10 0.00 -1.05 0.00 0.00 58.31 56.55 1qn1 n LYS 60 Cb 0.56 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.43 1qn1 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qn1 h ALA 61 N 3.55 0.51 -2.14 0.58 0.00 -1.97 -3.41 119.26 116.39 1qn1 h ALA 61 Ca 0.00 -0.23 -0.57 0.00 0.00 0.00 0.00 54.91 54.11 1qn1 h ALA 61 Cb 0.53 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1qn1 h ALA 61 CO 0.00 0.24 0.90 0.34 0.00 0.00 0.00 179.25 180.73 1qn1 s ASP 62 N -6.09 6.95 -0.04 0.00 -1.08 -1.25 -4.87 116.67 110.28 1qn1 s ASP 62 Ca -0.13 1.66 0.09 0.00 -0.52 0.00 0.00 52.55 53.64 1qn1 s ASP 62 Cb 0.10 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.34 1qn1 s ASP 62 CO 0.78 -0.76 1.17 0.29 0.52 0.00 0.00 175.17 177.17 1qn1 n LYS 63 N 6.60 2.11 -1.44 4.34 4.76 -1.26 -4.81 118.16 128.47 1qn1 n LYS 63 Ca 0.14 -1.26 -0.29 0.00 -2.87 0.00 0.00 58.31 54.03 1qn1 n LYS 63 Cb 0.45 -1.47 0.13 0.00 -1.84 0.00 0.00 35.03 32.30 1qn1 n LYS 63 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1qn1 s SER 64 N -0.76 3.68 -0.33 4.39 1.04 -1.26 -4.92 113.70 115.54 1qn1 s SER 64 Ca 0.23 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.84 1qn1 s SER 64 Cb 0.14 -1.84 0.31 0.00 0.10 0.00 0.00 66.02 64.73 1qn1 s SER 64 CO 0.12 -2.47 1.82 0.52 0.98 0.00 0.00 173.24 174.21 1qn1 n VAL 65 N -3.74 2.67 -1.27 5.02 0.31 -1.26 -3.66 118.33 116.40 1qn1 n VAL 65 Ca 0.07 -1.57 0.05 0.00 -0.01 0.00 0.00 64.34 62.87 1qn1 n VAL 65 Cb 0.57 -1.05 0.06 0.00 -0.91 0.00 0.00 33.84 32.52 1qn1 n VAL 65 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1qn1 n ASN 66 N -0.13 1.29 -4.39 4.52 4.13 -1.26 -4.76 115.26 114.66 1qn1 n ASN 66 Ca 0.36 -2.41 -0.40 0.00 1.68 0.00 0.00 54.58 53.80 1qn1 n ASN 66 Cb 0.84 -0.27 -0.11 0.00 -1.54 0.00 0.00 39.78 38.70 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 -1.77 5.71 0.30 6.41 0.01 -1.24 -2.12 113.70 121.00 1qn1 s SER 67 Ca 0.15 -0.91 0.06 0.00 1.31 0.00 0.00 55.95 56.55 1qn1 s SER 67 Cb 0.13 -2.02 0.80 0.00 0.21 0.00 0.00 66.02 65.14 1qn1 s SER 67 CO 0.01 -0.35 1.67 -0.25 0.41 0.00 0.00 173.24 174.73 1qn1 h TRP 68 N 8.42 0.59 -0.64 2.43 -0.00 -1.36 0.23 115.95 125.62 1qn1 h TRP 68 Ca -0.27 0.04 -0.46 0.00 -0.00 0.00 0.00 58.89 58.20 1qn1 h TRP 68 Cb 1.11 -0.11 -0.11 0.00 -0.00 0.00 0.00 29.16 30.05 1qn1 h TRP 68 CO 0.58 -0.15 0.86 0.98 -0.00 0.00 0.00 178.44 180.72 1qn1 n TYR 69 N -5.12 1.36 0.15 2.65 9.36 -1.26 -3.83 117.16 120.47 1qn1 n TYR 69 Ca 0.24 -2.08 0.00 0.00 3.32 0.00 0.00 57.90 59.38 1qn1 n TYR 69 Cb 0.74 -1.64 0.00 0.00 -0.63 0.00 0.00 39.34 37.81 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 1.80 0.00 0.00 2.98 3.00 0.79 -4.70 118.16 122.03 1qn1 n LYS 70 Ca 0.53 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.93 1qn1 n LYS 70 Cb 0.58 0.00 0.50 0.00 0.00 0.00 0.00 35.03 36.11 1qn1 n LYS 70 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1qn1 n VAL 71 N -3.49 0.31 -0.06 3.15 0.24 -1.23 0.17 118.33 117.41 1qn1 n VAL 71 Ca 0.00 0.08 -0.20 0.00 -2.04 0.00 0.00 64.34 62.18 1qn1 n VAL 71 Cb 0.00 -0.77 -0.13 0.00 -1.47 0.00 0.00 33.84 31.47 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 -1.20 1.65 -0.71 3.34 0.31 -1.25 -4.09 118.33 116.39 1qn1 n VAL 72 Ca 0.11 -0.61 0.08 0.00 -0.01 0.00 0.00 64.34 63.90 1qn1 n VAL 72 Cb 0.12 -1.61 0.24 0.00 -0.91 0.00 0.00 33.84 31.69 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 -3.41 0.88 -1.72 3.52 8.25 -0.99 -3.75 115.22 118.00 1qn1 n HIS 73 Ca -0.38 -0.74 -0.42 0.00 -0.26 0.00 0.00 57.72 55.92 1qn1 n HIS 73 Cb 1.02 -0.23 -0.00 0.00 1.12 0.00 0.00 29.99 31.89 1qn1 n HIS 73 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1qn1 n ASP 74 N -0.04 4.28 -0.20 0.41 8.00 0.44 -4.70 116.55 124.74 1qn1 n ASP 74 Ca 0.19 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.86 1qn1 n ASP 74 Cb 0.76 -1.65 0.11 0.00 -0.02 0.00 0.00 41.12 40.33 1qn1 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qn1 h ALA 75 N 5.91 0.77 -0.90 2.24 0.00 -1.88 0.29 119.26 125.70 1qn1 h ALA 75 Ca 0.59 0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.84 1qn1 h ALA 75 Cb 0.61 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.33 1qn1 h ALA 75 CO 1.87 -0.22 0.19 1.57 0.00 0.00 0.00 179.25 182.66 1qn1 h LYS 76 N 0.37 0.13 0.00 0.00 2.10 -1.96 -3.38 116.57 113.83 1qn1 h LYS 76 Ca 0.31 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 1qn1 h LYS 76 Cb 0.41 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1qn1 h LYS 76 CO -0.33 0.09 0.00 0.41 -2.00 0.00 0.00 179.45 177.62 1qn1 n GLY 77 N -1.40 -1.05 0.00 0.07 0.00 0.09 -5.05 105.19 97.85 1qn1 n GLY 77 Ca 0.22 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 0.11 4.49 0.37 -0.02 0.00 -1.26 -4.97 105.19 103.91 1qn1 n GLY 78 Ca 0.00 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.46 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 0.57 1.68 -3.37 4.61 0.00 -2.02 -3.41 119.26 117.32 1qn1 h ALA 79 Ca 0.00 0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.55 1qn1 h ALA 79 Cb 0.00 -0.17 -0.22 0.00 0.00 0.00 0.00 17.79 17.40 1qn1 h ALA 79 CO 0.00 0.09 -0.77 0.15 0.00 0.00 0.00 179.25 178.73 1qn1 s LYS 80 N -5.80 0.74 0.69 0.00 3.01 -1.26 -5.13 119.74 111.99 1qn1 s LYS 80 Ca -0.11 -0.88 -0.17 0.00 -1.01 0.00 0.00 55.97 53.80 1qn1 s LYS 80 Cb 0.22 -0.68 -0.06 0.00 -1.01 0.00 0.00 37.83 36.30 1qn1 s LYS 80 CO 0.80 0.15 0.40 -0.35 0.51 0.00 0.00 175.35 176.85 1qn1 n PRO 81 N 1.38 0.29 0.00 -1.68 -0.04 -1.26 -4.93 135.00 128.75 1qn1 n PRO 81 Ca -0.21 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1qn1 n PRO 81 Cb 0.54 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.21 0.00 0.00 0.52 -2.24 -1.26 -4.90 114.28 104.19 1qn1 n THR 82 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 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 0.37 0.00 0.00 2.04 -1.86 -3.15 117.51 114.91 1qn1 h ILE 84 Ca 0.00 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.32 1qn1 h ILE 84 Cb 0.00 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1qn1 h ILE 84 CO 0.00 0.21 0.00 -1.54 0.00 0.00 0.00 178.15 176.82 1qn1 n SER 85 N -3.09 0.00 -0.33 1.72 3.41 -1.26 0.27 113.62 114.34 1qn1 n SER 85 Ca 0.02 0.42 0.18 0.00 -0.26 0.00 0.00 58.87 59.22 1qn1 n SER 85 Cb 0.63 -0.13 0.34 0.00 -0.26 0.00 0.00 64.21 64.79 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 -0.97 0.00 0.00 -0.00 -1.60 -0.27 115.15 112.31 1qn1 h HIS 87 Ca 0.63 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.99 1qn1 h HIS 87 Cb 1.39 0.34 0.00 0.00 -0.00 0.00 0.00 27.41 29.15 1qn1 h HIS 87 CO -0.40 -0.54 0.20 1.57 -0.00 0.00 0.00 177.93 178.76 1qn1 h LYS 88 N -0.90 0.00 -0.54 2.45 5.09 0.37 1.46 116.57 124.50 1qn1 h LYS 88 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.66 1qn1 h LYS 88 Cb 0.72 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.05 1qn1 h LYS 88 CO 0.08 0.00 0.00 -3.47 -2.09 0.00 0.00 179.45 173.97 1qn1 n ASP 89 N -2.84 5.43 -3.09 7.07 2.03 0.26 -4.59 116.55 120.82 1qn1 n ASP 89 Ca -0.02 -2.91 -0.16 0.00 0.52 0.00 0.00 54.79 52.22 1qn1 n ASP 89 Cb 0.26 -0.66 -0.05 0.00 -0.72 0.00 0.00 41.12 39.95 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 0.51 0.37 0.04 -0.67 5.02 0.50 -4.92 118.16 119.01 1qn1 n LYS 90 Ca 0.27 -2.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.93 1qn1 n LYS 90 Cb 1.14 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 1qn1 n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qn1 n ALA 91 N 2.81 0.00 0.00 7.82 0.00 -1.25 -4.84 120.51 125.04 1qn1 n ALA 91 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1qn1 n ALA 91 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.17 1.07 2.74 0.00 0.00 -1.26 -4.45 105.19 102.11 1qn1 n GLY 92 Ca 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 44.98 1qn1 n GLY 92 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qn1 n ASP 93 N 0.00 1.49 -4.99 1.61 2.03 -1.26 -5.10 116.55 110.33 1qn1 n ASP 93 Ca 0.00 -2.42 -0.19 0.00 0.52 0.00 0.00 54.79 52.70 1qn1 n ASP 93 Cb 0.00 -0.51 0.05 0.00 -0.72 0.00 0.00 41.12 39.95 1qn1 n ASP 93 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1qn1 s ASP 94 N -3.41 5.17 -0.02 1.67 2.15 -1.26 -5.07 116.67 115.91 1qn1 s ASP 94 Ca 0.27 -0.65 -0.04 0.00 0.43 0.00 0.00 52.55 52.56 1qn1 s ASP 94 Cb 0.40 -0.03 -0.01 0.00 -0.30 0.00 0.00 42.92 42.98 1qn1 s ASP 94 CO 0.01 -1.24 -0.07 0.29 -0.17 0.00 0.00 175.17 173.99 1qn1 n LYS 95 N -2.21 0.10 -0.18 4.34 4.76 -1.26 -3.66 118.16 120.05 1qn1 n LYS 95 Ca 0.13 0.04 0.23 0.00 -2.87 0.00 0.00 58.31 55.84 1qn1 n LYS 95 Cb 0.61 -0.54 0.61 0.00 -1.84 0.00 0.00 35.03 33.87 1qn1 n LYS 95 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1qn1 h GLU 96 N -0.20 0.19 0.00 1.97 4.39 -1.98 1.79 114.58 120.75 1qn1 h GLU 96 Ca 0.00 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1qn1 h GLU 96 Cb 0.20 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1qn1 h GLU 96 CO 0.00 0.13 -0.77 1.25 -1.16 0.00 0.00 179.01 178.46 1qn1 h LEU 97 N 0.20 0.00 0.00 1.33 6.46 -1.84 -2.30 115.31 119.15 1qn1 h LEU 97 Ca 0.42 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.94 1qn1 h LEU 97 Cb 1.33 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.23 1qn1 h LEU 97 CO -0.09 0.12 -1.29 0.50 -0.62 0.00 0.00 178.44 177.06 1qn1 h LYS 98 N 0.00 0.00 0.00 1.25 3.64 0.91 -3.27 116.57 119.10 1qn1 h LYS 98 Ca -0.02 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1qn1 h LYS 98 Cb 1.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1qn1 h LYS 98 CO 0.01 0.80 -0.75 1.57 -2.27 0.00 0.00 179.45 178.81 1qn1 h LYS 99 N 0.00 0.00 -3.55 1.90 2.10 0.21 -3.33 116.57 113.91 1qn1 h LYS 99 Ca -0.12 0.00 -0.72 0.00 -2.00 0.00 0.00 60.65 57.81 1qn1 h LYS 99 Cb 1.87 0.00 -0.33 0.00 -0.90 0.00 0.00 32.23 32.87 1qn1 h LYS 99 CO 0.11 0.23 -0.19 0.21 -2.00 0.00 0.00 179.45 177.82 1qn1 s LYS 100 N -3.09 2.99 0.00 0.07 2.20 -0.87 -3.05 119.74 117.99 1qn1 s LYS 100 Ca 0.02 -2.74 0.00 0.00 -0.36 0.00 0.00 55.97 52.89 1qn1 s LYS 100 Cb 0.08 -3.94 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 1qn1 s LYS 100 CO 0.76 -1.22 0.00 1.28 -0.36 0.00 0.00 175.35 175.81 1qn1 n LEU 101 N 3.25 0.00 0.00 5.43 4.77 -1.26 -4.72 117.00 124.46 1qn1 n LEU 101 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1qn1 n LEU 101 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1qn1 n LEU 101 CO 0.35 0.00 -0.05 0.35 -1.33 0.00 0.00 177.39 176.70 1qn1 n THR 102 N 0.00 0.00 -0.96 -5.08 -2.24 -1.26 -4.74 114.28 99.99 1qn1 n THR 102 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1qn1 n THR 102 Cb 0.00 -0.34 0.04 0.00 -2.10 0.00 0.00 70.33 67.93 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 1.68 -4.31 0.11 3.38 0.00 -1.17 -4.98 105.19 99.90 1qn1 n GLY 103 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.49 3.09 0.00 0.00 2.20 -1.25 -2.56 119.74 120.73 1qn1 s LYS 105 Ca 0.00 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 1qn1 s LYS 105 Cb 0.00 -4.82 0.00 0.00 -1.51 0.00 0.00 37.83 31.50 1qn1 s LYS 105 CO 0.00 -2.54 0.00 0.41 -0.36 0.00 0.00 175.35 172.86 1qn1 n GLY 106 N 6.28 1.79 3.26 5.54 0.00 -1.25 -4.99 105.19 115.81 1qn1 n GLY 106 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 1qn1 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qn1 s SER 107 N -2.00 1.74 0.61 1.61 1.04 -1.06 -4.48 113.70 111.17 1qn1 s SER 107 Ca 0.00 -1.05 0.26 0.00 0.48 0.00 0.00 55.95 55.64 1qn1 s SER 107 Cb 0.00 0.00 1.24 0.00 0.10 0.00 0.00 66.02 67.36 1qn1 s SER 107 CO 0.00 -0.37 1.67 0.00 0.98 0.00 0.00 173.24 175.52 1qn1 h ALA 108 N 2.74 2.21 -3.95 5.32 0.00 -1.85 -3.35 119.26 120.39 1qn1 h ALA 108 Ca -0.37 -0.02 -0.69 0.00 0.00 0.00 0.00 54.91 53.84 1qn1 h ALA 108 Cb 1.19 0.04 -0.23 0.00 0.00 0.00 0.00 17.79 18.79 1qn1 h ALA 108 CO 0.64 -0.94 -0.76 0.00 0.00 0.00 0.00 179.25 178.19 1qn1 n HIS 110 N 2.37 -2.73 -3.30 0.00 -0.00 -1.26 -4.53 115.22 105.77 1qn1 n HIS 110 Ca -0.17 1.04 -0.38 0.00 -0.00 0.00 0.00 57.72 58.20 1qn1 n HIS 110 Cb 0.52 -3.83 -0.06 0.00 -0.00 0.00 0.00 29.99 26.62 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 -3.58 4.15 0.00 -0.41 0.04 -1.26 -3.85 135.00 130.09 1qn1 s PRO 111 Ca 0.05 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1qn1 s PRO 111 Cb -0.01 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1qn1 s PRO 111 CO 0.78 0.61 0.00 -1.13 0.04 0.00 0.00 177.00 177.30