#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 -3.75 -4.85 -1.34 9.92 -1.26 -4.97 116.55 110.31 1qn1 n ASP 2 Ca 0.00 0.41 -0.26 0.00 -0.53 0.00 0.00 54.79 54.41 1qn1 n ASP 2 Cb 0.00 -0.68 -0.03 0.00 -0.64 0.00 0.00 41.12 39.77 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 -1.66 1.85 0.09 2.53 1.01 -1.26 -5.12 120.40 117.84 1qn1 s VAL 3 Ca 0.42 -1.58 -0.24 0.00 0.00 0.00 0.00 61.98 60.58 1qn1 s VAL 3 Cb -0.32 -2.43 -0.07 0.00 0.00 0.00 0.00 36.38 33.56 1qn1 s VAL 3 CO 0.60 0.00 0.74 -2.16 0.00 0.00 0.00 175.10 174.28 1qn1 s PRO 4 N -4.13 4.48 0.78 2.72 0.04 -1.26 -5.05 135.00 132.57 1qn1 s PRO 4 Ca 0.34 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 1qn1 s PRO 4 Cb -0.01 -3.31 0.17 0.00 0.04 0.00 0.00 34.50 31.39 1qn1 s PRO 4 CO 0.20 0.43 0.37 0.00 0.04 0.00 0.00 177.00 178.05 1qn1 n ALA 5 N 2.24 -2.27 -1.97 8.56 0.00 -1.26 -4.64 120.51 121.17 1qn1 n ALA 5 Ca -0.05 -0.66 -0.23 0.00 0.00 0.00 0.00 53.44 52.50 1qn1 n ALA 5 Cb 0.50 -0.06 0.07 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.08 4.87 0.00 0.00 1.01 -1.26 -4.56 116.67 114.66 1qn1 s ASP 6 Ca 0.29 -0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.52 1qn1 s ASP 6 Cb -0.05 -0.65 0.00 0.00 1.01 0.00 0.00 42.92 43.23 1qn1 s ASP 6 CO 0.24 -1.47 0.00 0.61 0.21 0.00 0.00 175.17 174.76 1qn1 n GLY 7 N -2.62 0.82 3.49 0.21 0.00 -1.12 -5.00 105.19 100.96 1qn1 n GLY 7 Ca 0.10 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 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 3.68 0.04 4.61 0.00 -1.23 -4.90 121.76 121.96 1qn1 s ALA 8 Ca 0.00 -3.10 -0.33 0.00 0.00 0.00 0.00 51.96 48.52 1qn1 s ALA 8 Cb 0.00 -4.24 -0.12 0.00 0.00 0.00 0.00 23.12 18.76 1qn1 s ALA 8 CO 0.00 -2.96 1.77 0.36 0.00 0.00 0.00 175.76 174.93 1qn1 n LYS 9 N 6.53 2.32 -3.49 0.00 0.00 -1.26 -3.59 118.16 118.68 1qn1 n LYS 9 Ca 0.36 0.84 -0.40 0.00 -0.00 0.00 0.00 58.31 59.12 1qn1 n LYS 9 Cb 0.45 -2.68 -0.10 0.00 -0.00 0.00 0.00 35.03 32.70 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 2.75 5.24 -0.47 0.58 1.01 0.42 -4.84 121.20 125.89 1qn1 s ILE 10 Ca 0.86 0.10 0.06 0.00 0.00 0.00 0.00 60.65 61.67 1qn1 s ILE 10 Cb -0.64 -3.69 0.18 0.00 0.01 0.00 0.00 42.46 38.32 1qn1 s ILE 10 CO 0.44 0.07 0.62 -0.62 0.00 0.00 0.00 174.94 175.45 1qn1 s ASP 11 N 1.72 -0.82 0.02 3.58 -1.08 -1.26 -1.97 116.67 116.86 1qn1 s ASP 11 Ca 0.09 -1.76 0.22 0.00 -0.52 0.00 0.00 52.55 50.59 1qn1 s ASP 11 Cb -0.16 1.45 -0.09 0.00 -1.46 0.00 0.00 42.92 42.65 1qn1 s ASP 11 CO 0.11 -0.11 0.90 0.49 0.52 0.00 0.00 175.17 177.08 1qn1 n PHE 12 N 3.30 0.12 -4.07 -5.34 3.72 -1.26 -4.86 117.46 109.06 1qn1 n PHE 12 Ca 0.18 0.04 -0.35 0.00 -0.05 0.00 0.00 57.45 57.27 1qn1 n PHE 12 Cb 0.54 -0.31 -0.11 0.00 -0.94 0.00 0.00 39.48 38.66 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 -3.19 4.42 0.32 4.37 1.01 -1.26 -4.98 121.20 121.90 1qn1 s ILE 13 Ca 0.03 -0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.59 1qn1 s ILE 13 Cb 0.15 -2.99 0.39 0.00 0.01 0.00 0.00 42.46 40.02 1qn1 s ILE 13 CO 0.84 0.44 1.58 0.00 0.00 0.00 0.00 174.94 177.80 1qn1 h ALA 14 N 7.02 1.43 -3.03 9.38 0.00 -1.97 -3.47 119.26 128.63 1qn1 h ALA 14 Ca -0.35 0.32 0.31 0.00 0.00 0.00 0.00 54.91 55.18 1qn1 h ALA 14 Cb 1.18 0.51 -0.16 0.00 0.00 0.00 0.00 17.79 19.32 1qn1 h ALA 14 CO 0.65 -0.66 -1.07 0.41 0.00 0.00 0.00 179.25 178.58 1qn1 n GLY 15 N -1.43 -3.19 2.58 0.00 0.00 -1.26 -4.74 105.19 97.15 1qn1 n GLY 15 Ca 0.27 -1.11 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.04 -3.72 0.00 -0.02 0.00 -1.26 -4.93 105.19 91.22 1qn1 n GLY 16 Ca -0.08 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -4.91 0.00 -1.50 1.61 2.13 -1.26 -3.97 120.64 112.74 1qn1 n GLU 17 Ca 0.11 0.14 -0.37 0.00 0.66 0.00 0.00 57.16 57.70 1qn1 n GLU 17 Cb 0.48 -0.61 -0.16 0.00 0.27 0.00 0.00 31.44 31.41 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 -0.28 0.02 -1.49 5.31 4.01 -1.26 -4.68 118.16 119.79 1qn1 n LYS 18 Ca 0.00 -0.00 -0.57 0.00 -0.51 0.00 0.00 58.31 57.23 1qn1 n LYS 18 Cb 0.00 -1.44 -0.07 0.00 -0.51 0.00 0.00 35.03 33.01 1qn1 n LYS 18 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1qn1 n ASN 19 N 9.67 -0.15 -4.21 4.39 2.85 -1.25 -4.87 115.26 121.68 1qn1 n ASN 19 Ca 0.66 1.15 -0.42 0.00 -0.11 0.00 0.00 54.58 55.87 1qn1 n ASN 19 Cb 0.06 -0.94 -0.06 0.00 1.24 0.00 0.00 39.78 40.08 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 0.49 5.92 -0.08 1.20 1.43 -1.26 -5.04 118.68 121.33 1qn1 s LEU 20 Ca 0.86 -2.55 0.03 0.00 -1.03 0.00 0.00 54.13 51.44 1qn1 s LEU 20 Cb -1.20 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 1qn1 s LEU 20 CO 0.57 -0.53 -0.16 -0.89 0.23 0.00 0.00 176.35 175.56 1qn1 s THR 21 N 0.39 2.84 -0.11 5.49 2.01 -1.26 -4.60 115.64 120.39 1qn1 s THR 21 Ca 0.14 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1qn1 s THR 21 Cb -0.18 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1qn1 s THR 21 CO -0.05 0.56 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 1qn1 s VAL 22 N -0.19 2.62 -0.06 3.82 1.01 -0.83 -4.87 120.40 121.90 1qn1 s VAL 22 Ca -0.01 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 1qn1 s VAL 22 Cb -0.13 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1qn1 s VAL 22 CO 0.03 0.54 0.52 -0.69 0.00 0.00 0.00 175.10 175.50 1qn1 s VAL 23 N 0.28 5.07 0.05 2.92 1.01 -1.26 0.16 120.40 128.64 1qn1 s VAL 23 Ca -0.13 1.05 0.08 0.00 0.00 0.00 0.00 61.98 62.98 1qn1 s VAL 23 Cb -0.16 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1qn1 s VAL 23 CO 0.07 0.38 -0.22 0.12 0.00 0.00 0.00 175.10 175.45 1qn1 s PHE 24 N 0.15 1.94 -0.06 5.22 2.19 -1.24 -4.96 117.98 121.23 1qn1 s PHE 24 Ca 0.28 -0.39 -0.00 0.00 0.33 0.00 0.00 56.93 57.15 1qn1 s PHE 24 Cb -0.16 -1.15 0.03 0.00 -1.31 0.00 0.00 43.02 40.43 1qn1 s PHE 24 CO 0.13 0.12 -0.01 -0.80 1.83 0.00 0.00 175.22 176.48 1qn1 s ASN 25 N -1.27 1.26 0.14 6.13 -0.87 -1.26 -2.79 114.94 116.27 1qn1 s ASN 25 Ca 0.09 -0.09 0.20 0.00 -1.57 0.00 0.00 52.86 51.48 1qn1 s ASN 25 Cb -0.09 -0.42 0.82 0.00 -0.02 0.00 0.00 41.25 41.54 1qn1 s ASN 25 CO 0.02 -0.14 1.61 1.41 -2.57 0.00 0.00 177.10 177.43 1qn1 n HIS 26 N 4.69 0.44 0.58 2.20 8.25 -1.26 -1.63 115.22 128.48 1qn1 n HIS 26 Ca -0.15 0.17 0.12 0.00 -0.26 0.00 0.00 57.72 57.60 1qn1 n HIS 26 Cb 0.50 -0.77 0.26 0.00 1.12 0.00 0.00 29.99 31.10 1qn1 n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1qn1 h SER 27 N 0.00 0.00 -0.56 0.41 4.64 -1.94 -3.11 113.55 112.99 1qn1 h SER 27 Ca 0.00 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.10 1qn1 h SER 27 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 1qn1 h SER 27 CO 0.00 0.06 0.10 0.35 -0.87 0.00 0.00 176.83 176.47 1qn1 n THR 28 N -2.20 2.73 -2.34 2.95 -2.24 -0.65 -4.23 114.28 108.30 1qn1 n THR 28 Ca 0.04 -1.67 -0.04 0.00 -2.27 0.00 0.00 64.05 60.11 1qn1 n THR 28 Cb 0.44 -0.31 0.04 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.01 -1.06 0.01 4.78 8.25 -1.21 -4.94 115.22 121.04 1qn1 n HIS 29 Ca 0.32 -1.09 -0.07 0.00 -0.26 0.00 0.00 57.72 56.62 1qn1 n HIS 29 Cb 1.20 1.04 -0.12 0.00 1.12 0.00 0.00 29.99 33.22 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 0.51 0.00 -0.10 -0.41 2.10 -1.71 -3.23 116.57 113.72 1qn1 h LYS 30 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1qn1 h LYS 30 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1qn1 h LYS 30 CO -0.22 0.60 0.00 -0.40 -2.00 0.00 0.00 179.45 177.43 1qn1 n ASP 31 N -3.11 0.72 -4.79 7.07 5.75 -1.26 -4.78 116.55 116.15 1qn1 n ASP 31 Ca -0.11 -1.71 -0.36 0.00 -0.01 0.00 0.00 54.79 52.60 1qn1 n ASP 31 Cb 0.99 -0.06 -0.08 0.00 -1.03 0.00 0.00 41.12 40.94 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 -1.87 5.03 -0.49 2.12 1.01 -1.22 -4.99 120.40 119.98 1qn1 s VAL 32 Ca 0.22 0.03 -0.44 0.00 0.00 0.00 0.00 61.98 61.79 1qn1 s VAL 32 Cb 0.11 -3.18 -0.19 0.00 0.00 0.00 0.00 36.38 33.12 1qn1 s VAL 32 CO 0.17 0.60 2.03 0.29 0.00 0.00 0.00 175.10 178.19 1qn1 n LYS 33 N 2.20 0.00 0.25 2.72 4.01 -1.26 -4.67 118.16 121.41 1qn1 n LYS 33 Ca -0.19 0.00 0.17 0.00 -0.51 0.00 0.00 58.31 57.78 1qn1 n LYS 33 Cb 0.54 -1.48 0.78 0.00 -0.51 0.00 0.00 35.03 34.36 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 -3.16 3.59 -0.09 0.00 5.68 -1.26 -3.87 116.55 117.43 1qn1 n ASP 35 Ca 0.01 -3.71 -0.09 0.00 -0.50 0.00 0.00 54.79 50.51 1qn1 n ASP 35 Cb 0.47 -0.76 -0.16 0.00 -1.14 0.00 0.00 41.12 39.54 1qn1 n ASP 35 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1qn1 n ASP 36 N -1.11 0.09 -0.08 -1.12 -0.08 0.54 -4.54 116.55 110.25 1qn1 n ASP 36 Ca 0.49 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.67 1qn1 n ASP 36 Cb 1.32 1.04 -0.09 0.00 2.34 0.00 0.00 41.12 45.72 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 -0.22 0.00 3.76 -1.25 -4.87 115.29 114.30 1qn1 s HIS 38 Ca -0.18 -2.30 0.01 0.00 -0.15 0.00 0.00 55.06 52.44 1qn1 s HIS 38 Cb 0.05 -3.91 0.26 0.00 1.11 0.00 0.00 32.58 30.10 1qn1 s HIS 38 CO 0.47 -1.04 1.58 -2.39 -0.85 0.00 0.00 174.74 172.51 1qn1 n HIS 39 N 3.71 1.35 -2.55 1.40 1.44 -1.26 -4.54 115.22 114.75 1qn1 n HIS 39 Ca 0.21 -1.32 -0.22 0.00 -2.01 0.00 0.00 57.72 54.38 1qn1 n HIS 39 Cb 0.43 -0.66 0.05 0.00 0.12 0.00 0.00 29.99 29.93 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 -1.49 2.41 -0.14 -1.40 1.11 -1.26 -5.05 119.66 113.84 1qn1 s GLN 40 Ca 0.26 -0.71 -0.10 0.00 0.01 0.00 0.00 55.36 54.81 1qn1 s GLN 40 Cb 0.21 -2.42 -0.07 0.00 -1.01 0.00 0.00 33.01 29.72 1qn1 s GLN 40 CO 0.03 -0.87 0.05 -1.00 0.01 0.00 0.00 175.29 173.51 1qn1 h PRO 41 N -0.10 0.00 0.00 2.91 0.13 -1.90 -3.45 132.00 129.58 1qn1 h PRO 41 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1qn1 h PRO 41 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1qn1 h PRO 41 CO 0.53 0.26 0.00 0.41 -0.23 0.00 0.00 178.00 178.97 1qn1 n GLY 42 N 1.64 -1.97 0.33 1.56 0.00 -1.26 -4.82 105.19 100.67 1qn1 n GLY 42 Ca -0.09 0.65 0.22 0.00 0.00 0.00 0.00 46.02 46.80 1qn1 n GLY 42 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1qn1 h ASP 43 N 0.00 0.00 0.00 1.61 3.58 -2.01 0.15 116.42 119.75 1qn1 h ASP 43 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1qn1 h ASP 43 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1qn1 h ASP 43 CO 0.00 0.00 -1.12 0.29 -2.88 0.00 0.00 179.24 175.53 1qn1 n LYS 44 N -3.03 1.54 -0.37 0.28 5.02 -1.26 -4.48 118.16 115.86 1qn1 n LYS 44 Ca -0.03 -0.06 0.29 0.00 -2.02 0.00 0.00 58.31 56.48 1qn1 n LYS 44 Cb 0.07 -1.21 0.57 0.00 -0.02 0.00 0.00 35.03 34.44 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 0.25 -0.43 1.97 4.15 -1.02 1.61 115.11 121.64 1qn1 h GLN 45 Ca 0.00 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 1qn1 h GLN 45 Cb 0.46 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 1qn1 h GLN 45 CO 0.00 0.17 0.07 0.66 -1.93 0.00 0.00 178.83 177.79 1qn1 n TYR 46 N -4.66 1.46 -3.50 3.99 4.01 -1.24 -4.95 117.16 112.26 1qn1 n TYR 46 Ca 0.30 -1.14 -0.28 0.00 -0.16 0.00 0.00 57.90 56.62 1qn1 n TYR 46 Cb 1.11 -0.48 -0.03 0.00 -0.31 0.00 0.00 39.34 39.63 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 -2.98 3.71 0.65 -0.72 0.00 0.55 -5.04 121.76 117.93 1qn1 s ALA 47 Ca 0.47 -0.67 -0.17 0.00 0.00 0.00 0.00 51.96 51.59 1qn1 s ALA 47 Cb 0.39 -2.17 -0.10 0.00 0.00 0.00 0.00 23.12 21.24 1qn1 s ALA 47 CO 0.08 0.34 0.14 0.41 0.00 0.00 0.00 175.76 176.73 1qn1 n GLY 48 N -0.79 -2.50 0.10 0.00 0.00 -1.26 -4.91 105.19 95.84 1qn1 n GLY 48 Ca -0.03 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.47 1.47 0.00 0.00 1.35 -1.91 -3.28 112.91 110.05 1qn1 h THR 50 Ca -0.06 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 1qn1 h THR 50 Cb 1.18 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 1qn1 h THR 50 CO 0.07 0.46 0.00 0.41 -0.25 0.00 0.00 175.52 176.21 1qn1 n THR 51 N -4.70 0.00 -4.33 6.82 -1.04 -1.26 -1.60 114.28 108.17 1qn1 n THR 51 Ca -0.09 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.63 1qn1 n THR 51 Cb 0.37 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.77 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 -2.39 3.70 -1.21 8.00 1.01 -1.26 -4.23 116.67 120.29 1qn1 s ASP 52 Ca 0.00 -0.63 0.00 0.00 0.71 0.00 0.00 52.55 52.63 1qn1 s ASP 52 Cb 0.00 -0.43 0.00 0.00 1.01 0.00 0.00 42.92 43.50 1qn1 s ASP 52 CO 0.00 0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.16 1qn1 n GLY 53 N 0.80 1.08 0.00 0.21 0.00 -1.26 -4.77 105.19 101.25 1qn1 n GLY 53 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.54 -0.11 0.00 8.25 -0.63 -4.11 115.22 120.16 1qn1 n HIS 55 Ca 0.00 -3.86 -0.22 0.00 -0.26 0.00 0.00 57.72 53.38 1qn1 n HIS 55 Cb 0.00 -0.44 -0.10 0.00 1.12 0.00 0.00 29.99 30.56 1qn1 n HIS 55 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1qn1 n ASN 56 N 0.45 1.88 -4.06 0.41 6.94 -1.07 -3.73 115.26 116.08 1qn1 n ASN 56 Ca 0.26 0.41 -0.58 0.00 -0.02 0.00 0.00 54.58 54.66 1qn1 n ASN 56 Cb 0.53 -0.92 -0.10 0.00 -2.36 0.00 0.00 39.78 36.93 1qn1 n ASN 56 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1qn1 n ILE 57 N -4.40 0.00 -1.67 1.53 5.41 -0.88 -4.56 119.36 114.79 1qn1 n ILE 57 Ca -0.36 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.06 1qn1 n ILE 57 Cb 0.70 -0.45 0.05 0.00 -0.71 0.00 0.00 39.64 39.24 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 4.80 6.89 -4.67 1.39 4.77 -1.26 -1.33 117.00 127.58 1qn1 n LEU 58 Ca 0.36 -4.56 -0.27 0.00 -0.03 0.00 0.00 56.01 51.51 1qn1 n LEU 58 Cb -0.05 -0.83 -0.09 0.00 -2.33 0.00 0.00 43.42 40.12 1qn1 n LEU 58 CO 0.80 1.72 -0.24 -1.81 -1.33 0.00 0.00 177.39 176.52 1qn1 s ASP 59 N -2.17 4.08 -0.01 -1.43 1.01 -1.26 -4.97 116.67 111.91 1qn1 s ASP 59 Ca 0.58 -1.30 0.00 0.00 0.71 0.00 0.00 52.55 52.55 1qn1 s ASP 59 Cb 0.47 -0.35 -0.01 0.00 1.01 0.00 0.00 42.92 44.04 1qn1 s ASP 59 CO -0.09 -0.51 -0.01 0.29 0.21 0.00 0.00 175.17 175.05 1qn1 n LYS 60 N -1.08 0.03 -0.01 8.23 4.01 -1.26 -4.58 118.16 123.49 1qn1 n LYS 60 Ca -0.05 0.01 0.11 0.00 -0.51 0.00 0.00 58.31 57.87 1qn1 n LYS 60 Cb 0.66 -0.98 0.62 0.00 -0.51 0.00 0.00 35.03 34.82 1qn1 n LYS 60 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qn1 n ALA 61 N -2.58 2.62 0.13 7.82 0.00 -1.26 -3.18 120.51 124.06 1qn1 n ALA 61 Ca -0.02 -0.18 -0.24 0.00 0.00 0.00 0.00 53.44 52.99 1qn1 n ALA 61 Cb 0.52 -1.32 -0.16 0.00 0.00 0.00 0.00 19.45 18.49 1qn1 n ALA 61 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1qn1 h ASP 62 N 0.28 0.79 0.00 0.00 5.19 -2.00 -3.49 116.42 117.18 1qn1 h ASP 62 Ca 0.00 -0.92 0.00 0.00 -0.62 0.00 0.00 57.03 55.49 1qn1 h ASP 62 Cb 0.06 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.31 1qn1 h ASP 62 CO 0.00 1.73 0.00 0.29 -3.12 0.00 0.00 179.24 178.14 1qn1 n LYS 63 N -3.68 0.00 -0.92 3.56 5.02 -1.19 -5.05 118.16 115.89 1qn1 n LYS 63 Ca -0.19 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.20 1qn1 n LYS 63 Cb 1.10 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 36.05 1qn1 n LYS 63 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1qn1 n SER 64 N -0.02 -5.01 -1.87 4.39 2.88 -1.26 -4.31 113.62 108.43 1qn1 n SER 64 Ca 0.00 0.95 -0.18 0.00 -1.33 0.00 0.00 58.87 58.32 1qn1 n SER 64 Cb 0.00 -3.15 0.08 0.00 -0.75 0.00 0.00 64.21 60.39 1qn1 n SER 64 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1qn1 n VAL 65 N -3.42 2.66 -0.88 2.46 0.31 -1.26 -3.67 118.33 114.54 1qn1 n VAL 65 Ca -0.06 -1.56 0.04 0.00 -0.01 0.00 0.00 64.34 62.75 1qn1 n VAL 65 Cb 0.43 -1.01 0.06 0.00 -0.91 0.00 0.00 33.84 32.41 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 -0.19 1.59 -4.45 4.52 5.03 -1.26 -4.80 115.26 115.70 1qn1 n ASN 66 Ca 0.37 -2.33 -0.41 0.00 0.87 0.00 0.00 54.58 53.08 1qn1 n ASN 66 Cb 0.88 -0.21 -0.11 0.00 -1.02 0.00 0.00 39.78 39.33 1qn1 n ASN 66 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1qn1 s SER 67 N -1.65 5.89 0.27 6.41 0.01 -1.24 -2.07 113.70 121.32 1qn1 s SER 67 Ca 0.13 -0.76 -0.01 0.00 1.31 0.00 0.00 55.95 56.62 1qn1 s SER 67 Cb 0.11 -2.09 0.59 0.00 0.21 0.00 0.00 66.02 64.84 1qn1 s SER 67 CO 0.01 -0.34 1.69 -0.25 0.41 0.00 0.00 173.24 174.76 1qn1 h TRP 68 N 8.49 0.43 -0.63 2.43 -0.00 -1.29 -0.15 115.95 125.24 1qn1 h TRP 68 Ca -0.28 0.04 -0.56 0.00 -0.00 0.00 0.00 58.89 58.08 1qn1 h TRP 68 Cb 1.13 -0.06 -0.09 0.00 -0.00 0.00 0.00 29.16 30.14 1qn1 h TRP 68 CO 0.60 -0.08 1.79 0.98 -0.00 0.00 0.00 178.44 181.73 1qn1 n TYR 69 N -5.12 1.84 0.13 2.65 9.36 -1.26 -3.90 117.16 120.86 1qn1 n TYR 69 Ca 0.18 -2.44 0.00 0.00 3.32 0.00 0.00 57.90 58.96 1qn1 n TYR 69 Cb 0.55 -1.85 0.00 0.00 -0.63 0.00 0.00 39.34 37.41 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 2.13 0.00 0.00 2.98 4.81 -0.07 -4.76 118.16 123.25 1qn1 n LYS 70 Ca 0.60 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 58.15 1qn1 n LYS 70 Cb 0.44 0.00 0.61 0.00 0.02 0.00 0.00 35.03 36.10 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 -3.21 0.09 -0.08 3.15 0.24 -1.22 0.37 118.33 117.66 1qn1 n VAL 71 Ca 0.00 0.02 -0.17 0.00 -2.04 0.00 0.00 64.34 62.15 1qn1 n VAL 71 Cb 0.00 -0.68 -0.13 0.00 -1.47 0.00 0.00 33.84 31.56 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 -1.07 1.56 -0.77 3.34 0.31 -1.25 -4.24 118.33 116.21 1qn1 n VAL 72 Ca 0.15 -0.64 0.08 0.00 -0.01 0.00 0.00 64.34 63.91 1qn1 n VAL 72 Cb 0.10 -1.35 0.27 0.00 -0.91 0.00 0.00 33.84 31.94 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 -3.24 1.07 -0.96 3.52 8.25 -0.99 -3.57 115.22 119.29 1qn1 n HIS 73 Ca -0.39 -0.75 -0.25 0.00 -0.26 0.00 0.00 57.72 56.07 1qn1 n HIS 73 Cb 1.03 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.82 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 0.05 6.17 -0.45 0.41 -0.08 0.16 -4.59 116.55 118.23 1qn1 n ASP 74 Ca 0.21 -2.40 0.40 0.00 -1.51 0.00 0.00 54.79 51.49 1qn1 n ASP 74 Cb 0.84 -1.27 0.75 0.00 2.34 0.00 0.00 41.12 43.77 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 5.18 3.24 -0.75 -1.67 0.00 -1.86 1.59 119.26 125.00 1qn1 h ALA 75 Ca 0.55 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.46 1qn1 h ALA 75 Cb 0.45 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1qn1 h ALA 75 CO 1.29 -1.69 0.48 -0.22 0.00 0.00 0.00 179.25 179.12 1qn1 h LYS 76 N 0.04 0.93 0.00 0.00 3.64 -1.97 -3.40 116.57 115.81 1qn1 h LYS 76 Ca 0.71 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 1qn1 h LYS 76 Cb 2.70 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 34.31 1qn1 h LYS 76 CO -0.08 0.62 0.00 0.41 -2.27 0.00 0.00 179.45 178.13 1qn1 n GLY 77 N -1.30 -1.80 0.00 5.01 0.00 0.54 -5.06 105.19 102.58 1qn1 n GLY 77 Ca 0.08 -1.19 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 0.05 4.47 0.30 -0.02 0.00 -1.26 -4.99 105.19 103.74 1qn1 n GLY 78 Ca 0.00 -1.67 -0.01 0.00 0.00 0.00 0.00 46.02 44.34 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 1.07 -3.92 4.61 0.00 -2.02 -3.42 119.26 116.15 1qn1 h ALA 79 Ca 0.00 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 54.28 1qn1 h ALA 79 Cb 0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 17.79 17.33 1qn1 h ALA 79 CO 0.00 0.26 -0.85 0.15 0.00 0.00 0.00 179.25 178.81 1qn1 s LYS 80 N -6.09 1.35 0.63 0.00 3.01 -1.26 -5.12 119.74 112.27 1qn1 s LYS 80 Ca -0.13 -1.13 -0.18 0.00 -1.01 0.00 0.00 55.97 53.52 1qn1 s LYS 80 Cb 0.17 -1.62 -0.04 0.00 -1.01 0.00 0.00 37.83 35.33 1qn1 s LYS 80 CO 0.78 0.39 0.86 -0.35 0.51 0.00 0.00 175.35 177.55 1qn1 n PRO 81 N 1.36 0.71 0.00 -1.68 -0.04 -1.26 -4.95 135.00 129.14 1qn1 n PRO 81 Ca -0.18 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1qn1 n PRO 81 Cb 0.53 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 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 -1.94 0.00 0.00 0.52 -2.24 -1.26 -4.93 114.28 104.43 1qn1 n THR 82 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1qn1 n THR 82 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.60 0.00 0.00 2.04 -1.87 -3.08 117.51 116.20 1qn1 h ILE 84 Ca 0.00 -2.94 0.00 0.00 1.00 0.00 0.00 64.86 62.92 1qn1 h ILE 84 Cb 0.00 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1qn1 h ILE 84 CO 0.00 0.84 0.00 -1.54 0.00 0.00 0.00 178.15 177.45 1qn1 n SER 85 N -3.53 0.00 -0.29 1.72 3.41 -1.26 0.21 113.62 113.88 1qn1 n SER 85 Ca -0.01 0.43 0.05 0.00 -0.26 0.00 0.00 58.87 59.08 1qn1 n SER 85 Cb 0.84 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.90 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 -0.96 -0.24 0.00 -0.00 -1.49 0.20 115.15 112.65 1qn1 h HIS 87 Ca 0.39 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.83 1qn1 h HIS 87 Cb 0.59 0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 28.36 1qn1 h HIS 87 CO -0.62 -0.48 0.28 1.57 -0.00 0.00 0.00 177.93 178.68 1qn1 h LYS 88 N -0.73 0.00 -0.59 2.45 5.09 0.73 1.56 116.57 125.08 1qn1 h LYS 88 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.69 1qn1 h LYS 88 Cb 0.62 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.95 1qn1 h LYS 88 CO -0.02 0.00 0.00 -3.47 -2.09 0.00 0.00 179.45 173.87 1qn1 n ASP 89 N -3.73 3.31 -3.19 7.07 2.03 0.49 -4.38 116.55 118.15 1qn1 n ASP 89 Ca 0.03 -2.23 -0.22 0.00 0.52 0.00 0.00 54.79 52.89 1qn1 n ASP 89 Cb 0.41 -0.45 -0.06 0.00 -0.72 0.00 0.00 41.12 40.30 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 0.81 0.56 0.00 -0.67 4.76 0.53 -4.93 118.16 119.23 1qn1 n LYS 90 Ca 0.18 -3.02 0.00 0.00 -2.87 0.00 0.00 58.31 52.60 1qn1 n LYS 90 Cb 0.60 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 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 1.90 0.00 0.00 7.82 0.00 -1.24 -4.84 120.51 124.15 1qn1 n ALA 91 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1qn1 n ALA 91 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.39 0.19 0.16 0.00 0.00 -1.26 -4.60 105.19 98.30 1qn1 n GLY 92 Ca 0.00 -2.19 0.13 0.00 0.00 0.00 0.00 46.02 43.96 1qn1 n GLY 92 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1qn1 h ASP 93 N 0.00 0.00 -0.21 1.61 3.04 -2.00 -3.42 116.42 115.44 1qn1 h ASP 93 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1qn1 h ASP 93 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1qn1 h ASP 93 CO 0.00 0.00 0.00 0.47 -2.04 0.00 0.00 179.24 177.67 1qn1 n ASP 94 N -2.62 1.56 -0.19 4.15 9.92 -1.26 -4.67 116.55 123.43 1qn1 n ASP 94 Ca 0.04 -2.01 0.29 0.00 -0.53 0.00 0.00 54.79 52.58 1qn1 n ASP 94 Cb 0.43 -1.70 0.58 0.00 -0.64 0.00 0.00 41.12 39.79 1qn1 n ASP 94 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1qn1 h LYS 95 N 12.18 0.00 -0.66 -1.24 6.56 -1.97 1.50 116.57 132.94 1qn1 h LYS 95 Ca 0.00 0.00 0.14 0.00 -1.06 0.00 0.00 60.65 59.73 1qn1 h LYS 95 Cb 1.00 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.62 1qn1 h LYS 95 CO 1.00 0.00 0.45 0.93 -2.06 0.00 0.00 179.45 179.77 1qn1 h GLU 96 N 0.00 0.28 -0.62 3.15 4.39 -1.95 0.91 114.58 120.73 1qn1 h GLU 96 Ca 0.47 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.15 1qn1 h GLU 96 Cb 2.48 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 31.07 1qn1 h GLU 96 CO -0.00 0.18 0.00 1.28 -1.16 0.00 0.00 179.01 179.31 1qn1 n LEU 97 N -4.45 3.71 -0.13 1.33 4.77 0.51 -4.27 117.00 118.49 1qn1 n LEU 97 Ca 0.12 -1.78 -0.26 0.00 -0.03 0.00 0.00 56.01 54.06 1qn1 n LEU 97 Cb 0.53 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 1qn1 n LEU 97 CO 0.34 0.89 -1.12 1.17 -1.33 0.00 0.00 177.39 177.34 1qn1 n LYS 98 N 1.56 0.58 -0.29 3.23 3.00 0.30 -4.37 118.16 122.16 1qn1 n LYS 98 Ca 0.23 0.35 0.11 0.00 -0.00 0.00 0.00 58.31 59.00 1qn1 n LYS 98 Cb 0.60 -1.56 0.28 0.00 0.00 0.00 0.00 35.03 34.35 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 -1.00 0.36 -3.59 1.64 1.57 -1.31 0.36 116.57 114.59 1qn1 h LYS 99 Ca -0.55 -0.02 -0.80 0.00 -1.87 0.00 0.00 60.65 57.42 1qn1 h LYS 99 Cb 1.46 -0.08 -0.28 0.00 0.08 0.00 0.00 32.23 33.41 1qn1 h LYS 99 CO -0.33 0.24 0.39 0.21 -0.57 0.00 0.00 179.45 179.38 1qn1 s LYS 100 N -5.93 4.10 0.00 3.15 2.20 -1.22 -1.49 119.74 120.55 1qn1 s LYS 100 Ca -0.12 -3.13 0.00 0.00 -0.36 0.00 0.00 55.97 52.36 1qn1 s LYS 100 Cb 0.24 -4.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 1qn1 s LYS 100 CO 0.77 -1.25 0.00 1.28 -0.36 0.00 0.00 175.35 175.80 1qn1 n LEU 101 N 2.85 0.00 -0.44 5.43 4.77 -1.06 -4.86 117.00 123.68 1qn1 n LEU 101 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1qn1 n LEU 101 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1qn1 n LEU 101 CO 0.45 0.00 0.24 0.35 -1.33 0.00 0.00 177.39 177.09 1qn1 n THR 102 N 0.00 0.00 -2.89 -5.08 -2.24 0.11 -4.81 114.28 99.38 1qn1 n THR 102 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1qn1 n THR 102 Cb 0.00 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 1qn1 n THR 102 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qn1 s GLY 103 N -0.49 1.60 0.21 3.38 0.00 -0.44 -4.83 107.32 106.75 1qn1 s GLY 103 Ca 0.00 -2.23 -0.21 0.00 0.00 0.00 0.00 44.72 42.28 1qn1 s GLY 103 CO 0.00 2.04 1.55 0.00 0.00 0.00 0.00 173.10 176.69 1qn1 s LYS 105 N -5.84 3.17 0.00 0.00 2.20 -1.25 -4.35 119.74 113.66 1qn1 s LYS 105 Ca -0.13 -2.85 0.00 0.00 -0.36 0.00 0.00 55.97 52.62 1qn1 s LYS 105 Cb 0.18 -4.02 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 1qn1 s LYS 105 CO 0.69 -1.23 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 1qn1 n GLY 106 N 3.09 0.64 3.50 5.54 0.00 -0.99 -4.84 105.19 112.12 1qn1 n GLY 106 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.12 3.26 0.00 1.61 1.04 -0.32 -3.41 113.70 114.76 1qn1 s SER 107 Ca 0.00 -1.24 0.24 0.00 0.48 0.00 0.00 55.95 55.43 1qn1 s SER 107 Cb 0.00 -0.26 1.41 0.00 0.10 0.00 0.00 66.02 67.27 1qn1 s SER 107 CO 0.00 -0.33 1.78 0.00 0.98 0.00 0.00 173.24 175.67 1qn1 n ALA 108 N -0.73 2.40 -0.04 5.32 0.00 -1.26 -3.03 120.51 123.16 1qn1 n ALA 108 Ca -0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.18 1qn1 n ALA 108 Cb 0.64 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 1qn1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qn1 s HIS 110 N -2.56 3.34 0.03 0.00 4.02 -1.23 -4.62 115.29 114.28 1qn1 s HIS 110 Ca -0.19 -2.91 -0.17 0.00 1.02 0.00 0.00 55.06 52.81 1qn1 s HIS 110 Cb 0.03 -3.05 -0.06 0.00 -1.02 0.00 0.00 32.58 28.47 1qn1 s HIS 110 CO 0.28 -0.79 0.48 -1.25 1.02 0.00 0.00 174.74 174.48 1qn1 s PRO 111 N -0.25 4.04 0.00 8.40 0.04 -1.17 -2.44 135.00 143.62 1qn1 s PRO 111 Ca 0.18 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1qn1 s PRO 111 Cb -0.21 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1qn1 s PRO 111 CO -0.03 0.67 0.00 -1.13 0.04 0.00 0.00 177.00 176.55