#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 -1.99 -4.97 6.55 2.03 -1.26 -5.01 116.55 111.90 1qn1 n ASP 2 Ca 0.00 -0.20 -0.20 0.00 0.52 0.00 0.00 54.79 54.91 1qn1 n ASP 2 Cb 0.00 -0.32 0.02 0.00 -0.72 0.00 0.00 41.12 40.10 1qn1 n ASP 2 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1qn1 s VAL 3 N -1.17 2.43 -0.01 5.18 -7.23 -1.26 -5.11 120.40 113.23 1qn1 s VAL 3 Ca 0.15 -1.15 -0.16 0.00 -1.81 0.00 0.00 61.98 59.01 1qn1 s VAL 3 Cb -0.03 -2.57 -0.06 0.00 0.56 0.00 0.00 36.38 34.28 1qn1 s VAL 3 CO 0.13 0.00 0.45 -2.16 -0.31 0.00 0.00 175.10 173.21 1qn1 s PRO 4 N -4.40 4.07 1.01 4.82 0.04 -1.26 -5.06 135.00 134.21 1qn1 s PRO 4 Ca 0.53 0.48 -0.16 0.00 0.04 0.00 0.00 61.00 61.89 1qn1 s PRO 4 Cb -0.06 -3.27 0.11 0.00 0.04 0.00 0.00 34.50 31.31 1qn1 s PRO 4 CO 0.32 0.56 0.02 0.00 0.04 0.00 0.00 177.00 177.94 1qn1 n ALA 5 N 2.22 -1.85 -1.92 8.56 0.00 -1.26 -4.64 120.51 121.61 1qn1 n ALA 5 Ca -0.12 -1.09 -0.28 0.00 0.00 0.00 0.00 53.44 51.96 1qn1 n ALA 5 Cb 0.52 -0.98 0.10 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.78 4.37 0.00 0.00 1.01 -1.26 -4.47 116.67 114.53 1qn1 s ASP 6 Ca 0.39 0.50 0.00 0.00 0.71 0.00 0.00 52.55 54.16 1qn1 s ASP 6 Cb -0.05 -0.97 0.00 0.00 1.01 0.00 0.00 42.92 42.91 1qn1 s ASP 6 CO 0.44 -1.94 0.00 0.61 0.21 0.00 0.00 175.17 174.49 1qn1 n GLY 7 N -3.22 0.86 3.12 0.21 0.00 -1.23 -5.00 105.19 99.93 1qn1 n GLY 7 Ca 0.10 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1qn1 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 n ALA 8 N -0.77 4.74 -1.61 4.61 0.00 -1.25 -4.96 120.51 121.27 1qn1 n ALA 8 Ca 0.00 -4.26 -0.45 0.00 0.00 0.00 0.00 53.44 48.73 1qn1 n ALA 8 Cb 0.05 -3.05 -0.02 0.00 0.00 0.00 0.00 19.45 16.43 1qn1 n ALA 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1qn1 n LYS 9 N 4.79 1.46 -3.91 0.00 4.81 -1.26 -3.88 118.16 120.16 1qn1 n LYS 9 Ca 0.39 0.51 -0.35 0.00 -0.87 0.00 0.00 58.31 58.00 1qn1 n LYS 9 Cb 0.39 -1.94 -0.14 0.00 0.02 0.00 0.00 35.03 33.36 1qn1 n LYS 9 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1qn1 s ILE 10 N -0.85 3.19 -0.48 3.15 1.01 0.12 -4.93 121.20 122.41 1qn1 s ILE 10 Ca 0.61 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 60.49 1qn1 s ILE 10 Cb -0.71 -2.58 0.23 0.00 0.01 0.00 0.00 42.46 39.41 1qn1 s ILE 10 CO 0.58 0.23 0.84 -0.67 0.00 0.00 0.00 174.94 175.92 1qn1 n ASP 11 N 4.74 -2.69 0.00 3.58 2.03 -1.26 -2.79 116.55 120.15 1qn1 n ASP 11 Ca -0.17 -3.20 0.14 0.00 0.52 0.00 0.00 54.79 52.08 1qn1 n ASP 11 Cb 0.48 1.60 0.64 0.00 -0.72 0.00 0.00 41.12 43.12 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 1.79 0.00 -3.05 -0.67 3.72 -1.26 -4.64 117.46 113.35 1qn1 n PHE 12 Ca 0.11 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.08 1qn1 n PHE 12 Cb 0.61 -0.46 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.91 4.75 0.33 4.37 1.01 -1.26 -4.91 121.20 122.58 1qn1 s ILE 13 Ca 0.17 0.15 0.10 0.00 0.00 0.00 0.00 60.65 61.06 1qn1 s ILE 13 Cb 0.19 -4.27 0.38 0.00 0.01 0.00 0.00 42.46 38.77 1qn1 s ILE 13 CO 0.51 -0.69 1.58 0.00 0.00 0.00 0.00 174.94 176.33 1qn1 h ALA 14 N 8.95 1.60 -0.74 9.38 0.00 -2.00 -3.44 119.26 133.02 1qn1 h ALA 14 Ca -0.25 0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qn1 h ALA 14 Cb 1.09 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1qn1 h ALA 14 CO 0.93 -0.72 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1qn1 n GLY 15 N -1.39 3.62 0.00 0.00 0.00 -1.26 -4.60 105.19 101.56 1qn1 n GLY 15 Ca 0.29 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 -1.83 5.11 -0.02 0.00 -1.26 -5.02 105.19 102.17 1qn1 n GLY 16 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 0.00 -0.72 1.61 2.13 -1.26 -4.39 120.64 118.01 1qn1 n GLU 17 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 1qn1 n GLU 17 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 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 1.86 -0.87 5.31 5.02 -1.26 -4.80 118.16 123.42 1qn1 n LYS 18 Ca 0.00 -1.41 -0.00 0.00 -2.02 0.00 0.00 58.31 54.87 1qn1 n LYS 18 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 32.55 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 4.57 0.01 -3.87 4.39 2.85 -1.26 -5.07 115.26 116.88 1qn1 n ASN 19 Ca 0.41 -1.01 -0.28 0.00 -0.11 0.00 0.00 54.58 53.60 1qn1 n ASN 19 Cb 0.14 -0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.00 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 0.00 1.63 -0.17 1.20 1.43 -1.26 -5.07 118.68 116.43 1qn1 s LEU 20 Ca 0.00 -0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 52.28 1qn1 s LEU 20 Cb -0.00 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.30 1qn1 s LEU 20 CO 0.00 -0.21 0.12 -0.89 0.23 0.00 0.00 176.35 175.60 1qn1 s THR 21 N 1.65 5.35 -0.11 5.49 2.01 -1.26 -4.72 115.64 124.06 1qn1 s THR 21 Ca -0.00 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.20 1qn1 s THR 21 Cb -0.16 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 68.95 1qn1 s THR 21 CO -0.07 0.50 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.44 1qn1 s VAL 22 N -0.08 2.00 -0.14 3.82 1.01 -1.12 -4.53 120.40 121.37 1qn1 s VAL 22 Ca 0.10 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1qn1 s VAL 22 Cb -0.11 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1qn1 s VAL 22 CO 0.00 0.55 0.36 -0.69 0.00 0.00 0.00 175.10 175.31 1qn1 s VAL 23 N 0.48 5.26 0.07 2.92 1.01 -1.26 0.15 120.40 129.01 1qn1 s VAL 23 Ca -0.16 0.69 0.08 0.00 0.00 0.00 0.00 61.98 62.59 1qn1 s VAL 23 Cb -0.17 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1qn1 s VAL 23 CO 0.06 0.38 -0.19 0.12 0.00 0.00 0.00 175.10 175.47 1qn1 s PHE 24 N 0.43 2.51 -0.19 5.22 5.36 -1.25 -5.00 117.98 125.06 1qn1 s PHE 24 Ca 0.20 -0.28 -0.05 0.00 -0.96 0.00 0.00 56.93 55.84 1qn1 s PHE 24 Cb -0.14 -1.41 0.07 0.00 -0.34 0.00 0.00 43.02 41.19 1qn1 s PHE 24 CO 0.06 0.28 0.09 -0.80 -1.46 0.00 0.00 175.22 173.39 1qn1 s ASN 25 N -1.63 2.57 0.50 6.13 -0.87 -1.26 -3.52 114.94 116.86 1qn1 s ASN 25 Ca 0.15 -0.73 0.24 0.00 -1.57 0.00 0.00 52.86 50.95 1qn1 s ASN 25 Cb -0.10 -0.30 1.33 0.00 -0.02 0.00 0.00 41.25 42.15 1qn1 s ASN 25 CO 0.06 -0.36 1.95 0.45 -2.57 0.00 0.00 177.10 176.63 1qn1 h HIS 26 N 8.40 0.13 -0.66 2.20 3.86 -1.88 0.20 115.15 127.40 1qn1 h HIS 26 Ca -0.16 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.25 1qn1 h HIS 26 Cb 1.13 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.53 1qn1 h HIS 26 CO 0.18 0.05 0.53 0.66 0.86 0.00 0.00 177.93 180.21 1qn1 h SER 27 N 0.11 0.00 -0.57 2.45 4.64 -1.94 1.49 113.55 119.73 1qn1 h SER 27 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1qn1 h SER 27 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1qn1 h SER 27 CO -0.04 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.27 1qn1 n THR 28 N -4.09 2.67 -2.68 2.95 -2.24 0.71 -4.14 114.28 107.46 1qn1 n THR 28 Ca 0.13 -1.36 -0.02 0.00 -2.27 0.00 0.00 64.05 60.53 1qn1 n THR 28 Cb 0.78 -0.27 0.11 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.63 -1.45 -0.02 4.78 8.25 0.50 -4.91 115.22 123.01 1qn1 n HIS 29 Ca 0.27 -1.76 0.07 0.00 -0.26 0.00 0.00 57.72 56.05 1qn1 n HIS 29 Cb 1.17 1.23 -0.15 0.00 1.12 0.00 0.00 29.99 33.35 1qn1 n HIS 29 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1qn1 n LYS 30 N -1.35 0.65 -0.13 -0.41 2.85 -0.28 -4.10 118.16 115.39 1qn1 n LYS 30 Ca -0.14 -0.16 0.09 0.00 -1.05 0.00 0.00 58.31 57.06 1qn1 n LYS 30 Cb 0.86 -1.47 0.29 0.00 -0.65 0.00 0.00 35.03 34.07 1qn1 n LYS 30 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1qn1 n ASP 31 N -2.25 1.99 -4.49 -5.58 5.75 -1.26 -4.82 116.55 105.88 1qn1 n ASP 31 Ca -0.07 -1.83 -0.33 0.00 -0.01 0.00 0.00 54.79 52.54 1qn1 n ASP 31 Cb 0.59 -0.17 -0.13 0.00 -1.03 0.00 0.00 41.12 40.38 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 -1.65 3.34 -0.10 2.12 1.01 -1.26 -5.06 120.40 118.80 1qn1 s VAL 32 Ca 0.31 -0.60 -0.36 0.00 0.00 0.00 0.00 61.98 61.33 1qn1 s VAL 32 Cb 0.17 -2.36 -0.14 0.00 0.00 0.00 0.00 36.38 34.05 1qn1 s VAL 32 CO 0.24 0.57 1.76 0.29 0.00 0.00 0.00 175.10 177.96 1qn1 n LYS 33 N 2.61 1.78 0.23 2.72 4.01 -1.26 -4.77 118.16 123.48 1qn1 n LYS 33 Ca -0.18 0.65 0.16 0.00 -0.51 0.00 0.00 58.31 58.43 1qn1 n LYS 33 Cb 0.53 -2.42 0.80 0.00 -0.51 0.00 0.00 35.03 33.43 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 -2.60 0.41 0.15 0.00 5.68 -1.25 0.21 116.55 119.15 1qn1 n ASP 35 Ca -0.01 0.55 0.03 0.00 -0.50 0.00 0.00 54.79 54.86 1qn1 n ASP 35 Cb 0.09 -0.66 0.13 0.00 -1.14 0.00 0.00 41.12 39.55 1qn1 n ASP 35 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1qn1 h ASP 36 N 0.00 0.00 0.00 -1.12 2.03 -0.28 -3.28 116.42 113.77 1qn1 h ASP 36 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 1qn1 h ASP 36 Cb 0.56 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.04 1qn1 h ASP 36 CO 0.00 0.47 -1.51 0.00 -1.03 0.00 0.00 179.24 177.17 1qn1 s HIS 38 N -2.18 4.04 -0.25 0.00 3.76 0.55 -4.87 115.29 116.35 1qn1 s HIS 38 Ca -0.12 -2.73 0.01 0.00 -0.15 0.00 0.00 55.06 52.07 1qn1 s HIS 38 Cb 0.03 -3.60 0.31 0.00 1.11 0.00 0.00 32.58 30.43 1qn1 s HIS 38 CO 0.21 -0.88 1.58 -2.39 -0.85 0.00 0.00 174.74 172.41 1qn1 n HIS 39 N 2.75 1.54 -2.88 1.40 1.44 -1.24 -3.96 115.22 114.27 1qn1 n HIS 39 Ca 0.21 -1.35 -0.20 0.00 -2.01 0.00 0.00 57.72 54.37 1qn1 n HIS 39 Cb 0.39 -0.68 0.02 0.00 0.12 0.00 0.00 29.99 29.85 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 -1.69 2.77 0.37 -1.40 1.11 -1.26 -5.06 119.66 114.50 1qn1 s GLN 40 Ca 0.29 -0.86 -0.28 0.00 0.01 0.00 0.00 55.36 54.52 1qn1 s GLN 40 Cb 0.24 -2.60 -0.10 0.00 -1.01 0.00 0.00 33.01 29.54 1qn1 s GLN 40 CO 0.04 -0.44 1.42 -2.14 0.01 0.00 0.00 175.29 174.18 1qn1 s PRO 41 N -4.56 4.13 0.35 2.91 0.02 -1.26 -4.39 135.00 132.20 1qn1 s PRO 41 Ca 0.54 2.42 0.09 0.00 0.02 0.00 0.00 61.00 64.08 1qn1 s PRO 41 Cb -0.10 -2.95 0.83 0.00 0.02 0.00 0.00 34.50 32.30 1qn1 s PRO 41 CO 0.36 -0.46 1.84 0.78 -0.33 0.00 0.00 177.00 179.20 1qn1 h GLY 42 N 3.02 1.31 0.88 0.52 0.00 -1.97 1.61 103.07 108.43 1qn1 h GLY 42 Ca -0.50 -0.30 0.15 0.00 0.00 0.00 0.00 47.33 46.68 1qn1 h GLY 42 CO 0.64 0.04 0.41 -1.80 0.00 0.00 0.00 176.54 175.84 1qn1 h ASP 43 N 0.68 0.11 0.00 0.19 1.82 -2.06 -3.37 116.42 113.79 1qn1 h ASP 43 Ca 0.49 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.13 1qn1 h ASP 43 Cb 0.84 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.83 1qn1 h ASP 43 CO -0.24 0.06 0.00 0.29 -1.61 0.00 0.00 179.24 177.73 1qn1 n LYS 44 N -4.41 0.00 -1.82 0.28 4.76 0.14 -4.93 118.16 112.19 1qn1 n LYS 44 Ca 0.11 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1qn1 n LYS 44 Cb 0.58 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.77 1qn1 n LYS 44 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1qn1 n GLN 45 N -1.08 -2.09 -0.44 1.97 0.00 0.50 -4.50 117.38 111.75 1qn1 n GLN 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1qn1 n GLN 45 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 30.24 25.96 1qn1 n GLN 45 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1qn1 n TYR 46 N -1.82 0.00 -3.86 3.69 4.01 -1.26 -4.93 117.16 113.00 1qn1 n TYR 46 Ca -0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 1qn1 n TYR 46 Cb 0.27 0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.00 3.92 0.98 -0.72 0.00 -1.26 -5.07 121.76 119.61 1qn1 s ALA 47 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.11 1qn1 s ALA 47 Cb 0.00 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.19 1qn1 s ALA 47 CO 0.00 0.72 0.18 0.41 0.00 0.00 0.00 175.76 177.07 1qn1 n GLY 48 N 0.95 -2.42 0.08 0.00 0.00 -1.26 -4.92 105.19 97.62 1qn1 n GLY 48 Ca -0.11 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.55 0.00 0.00 0.00 1.35 -1.91 -2.50 112.91 109.30 1qn1 h THR 50 Ca -0.01 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1qn1 h THR 50 Cb 0.80 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 1qn1 h THR 50 CO 0.02 0.00 0.00 0.41 -0.25 0.00 0.00 175.52 175.70 1qn1 n THR 51 N -2.83 0.00 -5.10 6.82 -1.04 -1.26 -3.41 114.28 107.46 1qn1 n THR 51 Ca -0.04 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.65 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 -3.33 3.48 -1.25 8.00 1.01 -1.26 -4.69 116.67 118.64 1qn1 s ASP 52 Ca 0.00 -0.37 -0.01 0.00 0.71 0.00 0.00 52.55 52.88 1qn1 s ASP 52 Cb 0.00 -0.79 -0.00 0.00 1.01 0.00 0.00 42.92 43.14 1qn1 s ASP 52 CO 0.00 0.29 0.84 0.61 0.21 0.00 0.00 175.17 177.12 1qn1 n GLY 53 N 2.65 -0.38 0.00 0.21 0.00 -1.26 -4.93 105.19 101.48 1qn1 n GLY 53 Ca -0.17 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 2.68 -0.04 0.00 8.25 -0.94 -4.45 115.22 120.71 1qn1 n HIS 55 Ca 0.00 -2.67 -0.21 0.00 -0.26 0.00 0.00 57.72 54.58 1qn1 n HIS 55 Cb 0.00 -1.48 -0.13 0.00 1.12 0.00 0.00 29.99 29.50 1qn1 n HIS 55 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1qn1 n ASN 56 N 0.83 2.06 -4.52 0.41 2.85 -1.09 -3.53 115.26 112.28 1qn1 n ASN 56 Ca 0.52 0.15 -0.59 0.00 -0.11 0.00 0.00 54.58 54.56 1qn1 n ASN 56 Cb 0.26 -0.77 -0.09 0.00 1.24 0.00 0.00 39.78 40.42 1qn1 n ASN 56 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1qn1 n ILE 57 N -3.55 0.13 -1.58 -1.44 5.41 -0.87 -4.68 119.36 112.78 1qn1 n ILE 57 Ca -0.36 -0.08 -0.34 0.00 1.00 0.00 0.00 62.75 62.97 1qn1 n ILE 57 Cb 0.99 -0.97 0.06 0.00 -0.71 0.00 0.00 39.64 39.01 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 6.82 7.20 -4.37 1.39 4.77 -1.26 -1.52 117.00 130.02 1qn1 n LEU 58 Ca 0.39 -4.49 -0.23 0.00 -0.03 0.00 0.00 56.01 51.66 1qn1 n LEU 58 Cb 0.07 -0.89 -0.11 0.00 -2.33 0.00 0.00 43.42 40.16 1qn1 n LEU 58 CO 0.84 1.64 -0.48 -1.81 -1.33 0.00 0.00 177.39 176.24 1qn1 s ASP 59 N -1.99 2.95 -0.17 -1.43 1.11 -1.26 -5.01 116.67 110.87 1qn1 s ASP 59 Ca 0.60 -0.92 0.02 0.00 0.18 0.00 0.00 52.55 52.44 1qn1 s ASP 59 Cb 0.48 -0.20 -0.12 0.00 1.07 0.00 0.00 42.92 44.15 1qn1 s ASP 59 CO -0.09 -0.02 -0.14 2.29 1.18 0.00 0.00 175.17 178.40 1qn1 n LYS 60 N 0.03 0.57 0.16 8.23 2.85 -1.26 -4.34 118.16 124.40 1qn1 n LYS 60 Ca -0.11 0.09 0.12 0.00 -1.05 0.00 0.00 58.31 57.36 1qn1 n LYS 60 Cb 0.58 -1.35 0.59 0.00 -0.65 0.00 0.00 35.03 34.20 1qn1 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qn1 n ALA 61 N -2.97 1.15 -2.48 0.58 0.00 -1.26 -4.23 120.51 111.30 1qn1 n ALA 61 Ca -0.30 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 1qn1 n ALA 61 Cb 0.84 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 1qn1 n ALA 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qn1 s ASP 62 N -4.11 6.11 0.00 0.00 1.01 -1.26 -5.06 116.67 113.36 1qn1 s ASP 62 Ca -0.01 -0.79 0.00 0.00 0.71 0.00 0.00 52.55 52.46 1qn1 s ASP 62 Cb 0.07 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.83 1qn1 s ASP 62 CO 0.24 -0.43 0.00 0.29 0.21 0.00 0.00 175.17 175.48 1qn1 n LYS 63 N 5.21 2.46 -0.90 8.23 4.76 -1.26 -4.78 118.16 131.88 1qn1 n LYS 63 Ca -0.11 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.40 1qn1 n LYS 63 Cb 0.48 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.63 1qn1 n LYS 63 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1qn1 n SER 64 N 0.00 -4.85 -1.86 4.39 2.88 -1.26 -4.44 113.62 108.49 1qn1 n SER 64 Ca 0.00 0.98 -0.17 0.00 -1.33 0.00 0.00 58.87 58.35 1qn1 n SER 64 Cb 0.00 -2.85 0.08 0.00 -0.75 0.00 0.00 64.21 60.68 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 -2.91 2.64 -0.06 2.46 0.31 -1.26 -3.69 118.33 115.81 1qn1 n VAL 65 Ca -0.03 -1.54 0.01 0.00 -0.01 0.00 0.00 64.34 62.77 1qn1 n VAL 65 Cb 0.36 -1.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.31 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 2.12 -4.44 4.52 4.13 -1.26 -4.72 115.26 115.42 1qn1 n ASN 66 Ca 0.36 -2.04 -0.44 0.00 1.68 0.00 0.00 54.58 54.14 1qn1 n ASN 66 Cb 0.89 -0.04 -0.08 0.00 -1.54 0.00 0.00 39.78 39.01 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 -1.07 6.19 0.55 6.41 0.01 -1.24 -2.05 113.70 122.50 1qn1 s SER 67 Ca 0.04 -0.95 0.43 0.00 1.31 0.00 0.00 55.95 56.77 1qn1 s SER 67 Cb 0.02 -2.23 1.63 0.00 0.21 0.00 0.00 66.02 65.65 1qn1 s SER 67 CO 0.02 -0.71 1.70 -0.25 0.41 0.00 0.00 173.24 174.42 1qn1 h TRP 68 N 8.83 0.01 -1.64 2.43 -0.00 -1.36 0.41 115.95 124.64 1qn1 h TRP 68 Ca -0.27 0.00 -0.70 0.00 -0.00 0.00 0.00 58.89 57.92 1qn1 h TRP 68 Cb 1.11 -0.00 -0.22 0.00 -0.00 0.00 0.00 29.16 30.05 1qn1 h TRP 68 CO 0.67 -0.00 1.16 0.98 -0.00 0.00 0.00 178.44 181.24 1qn1 n TYR 69 N -4.08 2.48 0.15 2.65 9.36 -1.26 -4.10 117.16 122.35 1qn1 n TYR 69 Ca 0.34 -2.38 0.00 0.00 3.32 0.00 0.00 57.90 59.18 1qn1 n TYR 69 Cb 1.58 -1.38 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 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 0.41 0.00 0.00 2.98 3.00 0.14 -4.74 118.16 119.96 1qn1 n LYS 70 Ca 0.53 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.92 1qn1 n LYS 70 Cb 0.33 0.00 0.48 0.00 0.00 0.00 0.00 35.03 35.84 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 -3.37 0.30 -0.08 3.15 0.24 -1.25 0.19 118.33 117.52 1qn1 n VAL 71 Ca 0.00 0.08 -0.22 0.00 -2.04 0.00 0.00 64.34 62.15 1qn1 n VAL 71 Cb 0.00 -0.79 -0.12 0.00 -1.47 0.00 0.00 33.84 31.46 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 -1.18 1.61 -0.53 3.34 0.31 -1.26 -4.01 118.33 116.63 1qn1 n VAL 72 Ca 0.10 -0.46 0.08 0.00 -0.01 0.00 0.00 64.34 64.06 1qn1 n VAL 72 Cb 0.11 -1.74 0.26 0.00 -0.91 0.00 0.00 33.84 31.56 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 -3.75 0.98 -1.46 3.52 8.25 -1.01 -3.50 115.22 118.25 1qn1 n HIS 73 Ca -0.40 -0.62 -0.40 0.00 -0.26 0.00 0.00 57.72 56.04 1qn1 n HIS 73 Cb 0.93 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.86 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 0.62 4.36 0.14 0.41 8.00 0.51 -4.63 116.55 125.96 1qn1 n ASP 74 Ca 0.20 -2.72 0.16 0.00 0.71 0.00 0.00 54.79 53.13 1qn1 n ASP 74 Cb 0.71 -1.47 0.73 0.00 -0.02 0.00 0.00 41.12 41.06 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 6.32 2.11 -0.77 2.24 0.00 -1.87 0.18 119.26 127.48 1qn1 h ALA 75 Ca 0.58 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.56 1qn1 h ALA 75 Cb 0.56 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1qn1 h ALA 75 CO 1.86 -0.35 0.50 -0.22 0.00 0.00 0.00 179.25 181.04 1qn1 h LYS 76 N 0.00 0.73 -1.30 0.00 3.64 -1.96 -3.42 116.57 114.26 1qn1 h LYS 76 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1qn1 h LYS 76 Cb 0.55 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1qn1 h LYS 76 CO -0.00 0.48 -0.31 0.41 -2.27 0.00 0.00 179.45 177.76 1qn1 n GLY 77 N -1.44 -3.65 0.00 5.01 0.00 0.62 -5.10 105.19 100.62 1qn1 n GLY 77 Ca 0.12 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.73 5.15 0.37 -0.02 0.00 -1.26 -4.99 105.19 103.70 1qn1 n GLY 78 Ca 0.00 -1.58 0.04 0.00 0.00 0.00 0.00 46.02 44.47 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 0.98 1.49 -3.76 4.61 0.00 -2.02 -3.42 119.26 117.15 1qn1 h ALA 79 Ca 0.00 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.33 1qn1 h ALA 79 Cb 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 17.79 17.28 1qn1 h ALA 79 CO 0.00 0.37 -0.83 0.15 0.00 0.00 0.00 179.25 178.95 1qn1 s LYS 80 N -5.93 1.17 0.81 0.00 3.01 -1.26 -5.13 119.74 112.42 1qn1 s LYS 80 Ca -0.12 -1.08 -0.14 0.00 -1.01 0.00 0.00 55.97 53.62 1qn1 s LYS 80 Cb 0.20 -1.37 0.04 0.00 -1.01 0.00 0.00 37.83 35.68 1qn1 s LYS 80 CO 0.80 0.33 0.82 -0.35 0.51 0.00 0.00 175.35 177.46 1qn1 n PRO 81 N 1.32 0.11 0.00 -1.68 -0.04 -1.26 -4.91 135.00 128.53 1qn1 n PRO 81 Ca -0.19 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1qn1 n PRO 81 Cb 0.54 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 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 -3.09 0.00 0.00 0.52 -2.24 -1.26 -4.91 114.28 103.29 1qn1 n THR 82 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1qn1 n THR 82 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1qn1 n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qn1 n ILE 84 N -2.17 0.34 0.00 0.00 5.41 -1.23 -3.27 119.36 118.44 1qn1 n ILE 84 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1qn1 n ILE 84 Cb 0.00 -0.33 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 1qn1 n ILE 84 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1qn1 n SER 85 N -1.98 0.00 -0.33 4.38 3.41 -1.26 -1.45 113.62 116.39 1qn1 n SER 85 Ca 0.05 0.28 0.19 0.00 -0.26 0.00 0.00 58.87 59.14 1qn1 n SER 85 Cb 0.40 -0.21 0.37 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.04 -0.59 -0.95 0.00 -0.00 -1.68 0.20 115.15 112.16 1qn1 h HIS 87 Ca 0.66 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 61.08 1qn1 h HIS 87 Cb 1.48 0.23 -0.06 0.00 -0.00 0.00 0.00 27.41 29.06 1qn1 h HIS 87 CO -0.33 -0.34 0.62 -0.22 -0.00 0.00 0.00 177.93 177.67 1qn1 h LYS 88 N -0.50 1.14 0.00 2.45 3.11 0.17 0.45 116.57 123.38 1qn1 h LYS 88 Ca -0.01 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1qn1 h LYS 88 Cb 0.45 -0.26 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 1qn1 h LYS 88 CO -0.03 0.75 0.00 -0.25 -2.81 0.00 0.00 179.45 177.11 1qn1 n ASP 89 N -4.46 0.56 -3.15 4.20 8.00 0.18 -3.04 116.55 118.84 1qn1 n ASP 89 Ca 0.13 0.63 -0.34 0.00 0.71 0.00 0.00 54.79 55.92 1qn1 n ASP 89 Cb 0.13 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 1qn1 n ASP 89 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qn1 n LYS 90 N -2.11 4.06 0.13 -1.24 5.02 0.16 -4.53 118.16 119.65 1qn1 n LYS 90 Ca 0.03 -4.55 0.00 0.00 -2.02 0.00 0.00 58.31 51.77 1qn1 n LYS 90 Cb 0.23 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 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 -0.25 0.00 0.00 7.82 0.00 -1.17 -4.91 120.51 122.00 1qn1 n ALA 91 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1qn1 n ALA 91 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 0.92 2.72 0.00 0.00 -1.20 -4.26 105.19 101.97 1qn1 n GLY 92 Ca 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 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 1.08 -5.00 1.61 2.03 -1.26 -5.01 116.55 110.00 1qn1 n ASP 93 Ca 0.00 -2.47 -0.20 0.00 0.52 0.00 0.00 54.79 52.65 1qn1 n ASP 93 Cb 0.00 -0.34 0.03 0.00 -0.72 0.00 0.00 41.12 40.09 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 -3.08 5.20 -0.04 1.67 2.15 -1.26 -5.08 116.67 116.22 1qn1 s ASP 94 Ca 0.26 -0.77 -0.06 0.00 0.43 0.00 0.00 52.55 52.41 1qn1 s ASP 94 Cb 0.41 -0.02 -0.02 0.00 -0.30 0.00 0.00 42.92 42.99 1qn1 s ASP 94 CO -0.00 -1.10 -0.12 0.29 -0.17 0.00 0.00 175.17 174.07 1qn1 n LYS 95 N -2.02 0.18 0.10 4.34 5.02 -1.26 -3.83 118.16 120.69 1qn1 n LYS 95 Ca 0.11 0.07 0.13 0.00 -2.02 0.00 0.00 58.31 56.60 1qn1 n LYS 95 Cb 0.61 -0.74 0.63 0.00 -0.02 0.00 0.00 35.03 35.52 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 -0.34 0.07 -0.01 1.97 4.57 -1.98 1.77 114.58 120.63 1qn1 h GLU 96 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1qn1 h GLU 96 Cb 0.34 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1qn1 h GLU 96 CO 0.00 0.05 -0.10 -0.11 -1.18 0.00 0.00 179.01 177.66 1qn1 n LEU 97 N -4.46 1.33 -0.01 1.64 0.00 -1.26 -3.24 117.00 110.99 1qn1 n LEU 97 Ca 0.04 -0.41 0.04 0.00 0.00 0.00 0.00 56.01 55.68 1qn1 n LEU 97 Cb 0.33 -0.05 -0.08 0.00 0.00 0.00 0.00 43.42 43.63 1qn1 n LEU 97 CO 0.35 0.23 -0.64 1.17 0.00 0.00 0.00 177.39 178.50 1qn1 n LYS 98 N -0.14 0.55 0.08 1.96 4.81 0.26 -4.46 118.16 121.22 1qn1 n LYS 98 Ca 0.16 -0.08 -0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1qn1 n LYS 98 Cb 0.36 -1.23 -0.08 0.00 0.02 0.00 0.00 35.03 34.10 1qn1 n LYS 98 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1qn1 h LYS 99 N 0.00 0.00 -3.26 1.64 1.57 0.22 -3.16 116.57 113.58 1qn1 h LYS 99 Ca -0.03 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.08 1qn1 h LYS 99 Cb 0.58 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.51 1qn1 h LYS 99 CO 0.00 0.81 -0.33 0.21 -0.57 0.00 0.00 179.45 179.56 1qn1 s LYS 100 N -2.79 2.82 0.00 3.15 2.20 -1.20 -3.78 119.74 120.14 1qn1 s LYS 100 Ca 0.02 -3.18 0.00 0.00 -0.36 0.00 0.00 55.97 52.44 1qn1 s LYS 100 Cb 0.09 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1qn1 s LYS 100 CO 0.80 -1.25 0.00 -0.11 -0.36 0.00 0.00 175.35 174.42 1qn1 n LEU 101 N 2.37 0.00 0.00 5.43 7.94 -1.26 -4.86 117.00 126.62 1qn1 n LEU 101 Ca 0.18 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 1qn1 n LEU 101 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.31 1qn1 n LEU 101 CO 0.32 0.00 -0.37 0.35 -1.11 0.00 0.00 177.39 176.58 1qn1 n THR 102 N 0.00 0.00 -0.89 1.96 -2.24 -1.25 -4.78 114.28 107.08 1qn1 n THR 102 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1qn1 n THR 102 Cb 0.00 -0.41 0.03 0.00 -2.10 0.00 0.00 70.33 67.85 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 2.92 -4.07 0.09 3.38 0.00 -1.19 -4.96 105.19 101.35 1qn1 n GLY 103 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.35 2.98 0.00 0.00 2.20 -1.25 -2.42 119.74 120.89 1qn1 s LYS 105 Ca 0.00 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 1qn1 s LYS 105 Cb 0.00 -4.80 0.00 0.00 -1.51 0.00 0.00 37.83 31.52 1qn1 s LYS 105 CO 0.00 -2.67 0.00 0.41 -0.36 0.00 0.00 175.35 172.73 1qn1 n GLY 106 N 6.29 1.71 3.23 5.54 0.00 -1.25 -4.99 105.19 115.71 1qn1 n GLY 106 Ca 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 1.38 0.62 1.61 0.15 -1.02 -4.44 113.70 110.00 1qn1 s SER 107 Ca 0.00 -1.08 0.26 0.00 0.70 0.00 0.00 55.95 55.83 1qn1 s SER 107 Cb 0.00 0.07 1.29 0.00 -1.71 0.00 0.00 66.02 65.67 1qn1 s SER 107 CO 0.00 -0.47 1.73 0.00 1.20 0.00 0.00 173.24 175.70 1qn1 h ALA 108 N 2.79 2.03 -3.55 5.45 0.00 -1.84 -3.34 119.26 120.80 1qn1 h ALA 108 Ca -0.36 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 53.87 1qn1 h ALA 108 Cb 1.19 0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.77 1qn1 h ALA 108 CO 0.64 -0.79 -0.73 0.00 0.00 0.00 0.00 179.25 178.37 1qn1 n HIS 110 N 2.98 -2.92 -3.37 0.00 -0.00 -1.26 -4.45 115.22 106.21 1qn1 n HIS 110 Ca -0.18 1.12 -0.38 0.00 -0.00 0.00 0.00 57.72 58.28 1qn1 n HIS 110 Cb 0.53 -3.96 -0.06 0.00 -0.00 0.00 0.00 29.99 26.50 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 -3.18 4.11 0.00 -0.41 0.04 -1.25 -3.84 135.00 130.47 1qn1 s PRO 111 Ca 0.02 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1qn1 s PRO 111 Cb -0.00 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1qn1 s PRO 111 CO 0.77 0.56 0.00 0.45 0.04 0.00 0.00 177.00 178.81