#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 -5.87 -4.52 6.55 9.92 -1.26 -4.87 116.55 116.51 1qn1 n ASP 2 Ca 0.00 0.21 -0.29 0.00 -0.53 0.00 0.00 54.79 54.18 1qn1 n ASP 2 Cb 0.00 -0.77 0.24 0.00 -0.64 0.00 0.00 41.12 39.95 1qn1 n ASP 2 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1qn1 s VAL 3 N -2.01 2.03 0.18 2.53 -7.23 -1.26 -5.01 120.40 109.63 1qn1 s VAL 3 Ca 0.41 0.01 -0.09 0.00 -1.81 0.00 0.00 61.98 60.50 1qn1 s VAL 3 Cb -0.20 -2.05 -0.07 0.00 0.56 0.00 0.00 36.38 34.62 1qn1 s VAL 3 CO 0.82 -0.01 0.49 -2.16 -0.31 0.00 0.00 175.10 173.93 1qn1 s PRO 4 N -4.49 3.78 0.00 4.82 0.04 -1.26 -5.09 135.00 132.80 1qn1 s PRO 4 Ca 0.68 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1qn1 s PRO 4 Cb -0.25 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1qn1 s PRO 4 CO 0.64 0.40 0.00 0.00 0.04 0.00 0.00 177.00 178.08 1qn1 n ALA 5 N 0.17 0.00 -2.35 8.56 0.00 -1.26 -4.55 120.51 121.08 1qn1 n ALA 5 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1qn1 n ALA 5 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.04 4.92 0.00 0.00 1.11 -1.26 -4.54 116.67 114.86 1qn1 s ASP 6 Ca 0.00 -0.77 0.00 0.00 0.18 0.00 0.00 52.55 51.96 1qn1 s ASP 6 Cb 0.00 -0.65 0.00 0.00 1.07 0.00 0.00 42.92 43.34 1qn1 s ASP 6 CO 0.00 -0.53 0.00 0.61 1.18 0.00 0.00 175.17 176.43 1qn1 n GLY 7 N -1.40 1.05 3.58 0.21 0.00 -1.17 -4.98 105.19 102.47 1qn1 n GLY 7 Ca 0.01 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 2.69 -0.11 4.61 0.00 -1.14 -4.82 121.76 120.99 1qn1 s ALA 8 Ca 0.00 -2.57 -0.29 0.00 0.00 0.00 0.00 51.96 49.10 1qn1 s ALA 8 Cb 0.00 -4.65 -0.05 0.00 0.00 0.00 0.00 23.12 18.42 1qn1 s ALA 8 CO 0.00 -4.06 1.74 -1.59 0.00 0.00 0.00 175.76 171.85 1qn1 s LYS 9 N 5.16 3.95 -0.27 0.00 0.00 -1.25 -1.98 119.74 125.35 1qn1 s LYS 9 Ca 0.59 2.06 -0.10 0.00 0.00 0.00 0.00 55.97 58.52 1qn1 s LYS 9 Cb 0.02 -4.06 -0.05 0.00 0.00 0.00 0.00 37.83 33.74 1qn1 s LYS 9 CO 0.09 -1.12 0.16 0.42 0.00 0.00 0.00 175.35 174.90 1qn1 s ILE 10 N 4.87 5.16 -0.44 3.79 1.01 0.50 -4.82 121.20 131.26 1qn1 s ILE 10 Ca 0.77 0.12 0.07 0.00 0.00 0.00 0.00 60.65 61.61 1qn1 s ILE 10 Cb -0.32 -3.44 0.18 0.00 0.01 0.00 0.00 42.46 38.89 1qn1 s ILE 10 CO 0.32 0.28 0.64 -0.62 0.00 0.00 0.00 174.94 175.56 1qn1 s ASP 11 N 1.60 -1.27 0.00 3.58 2.15 -1.26 -1.07 116.67 120.40 1qn1 s ASP 11 Ca 0.07 -1.18 0.22 0.00 0.43 0.00 0.00 52.55 52.08 1qn1 s ASP 11 Cb -0.15 1.80 -0.06 0.00 -0.30 0.00 0.00 42.92 44.21 1qn1 s ASP 11 CO 0.09 -0.14 1.02 0.49 -0.17 0.00 0.00 175.17 176.46 1qn1 n PHE 12 N 3.91 0.00 -2.16 -5.34 3.72 -1.26 -4.96 117.46 111.37 1qn1 n PHE 12 Ca 0.14 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.24 1qn1 n PHE 12 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 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 -2.54 4.78 1.01 4.37 1.09 -1.26 -5.01 121.20 123.63 1qn1 s ILE 13 Ca 0.16 0.64 -0.20 0.00 -1.10 0.00 0.00 60.65 60.15 1qn1 s ILE 13 Cb 0.17 -3.86 -0.11 0.00 -1.06 0.00 0.00 42.46 37.60 1qn1 s ILE 13 CO 0.62 -1.03 -0.78 0.00 -0.10 0.00 0.00 174.94 173.65 1qn1 n ALA 14 N -2.54 -5.06 -2.63 9.38 0.00 -1.26 -4.97 120.51 113.44 1qn1 n ALA 14 Ca 0.04 -0.96 -0.30 0.00 0.00 0.00 0.00 53.44 52.22 1qn1 n ALA 14 Cb 0.54 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 1qn1 n ALA 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qn1 s GLY 15 N -1.23 1.85 0.00 0.00 0.00 -1.26 -4.90 107.32 101.77 1qn1 s GLY 15 Ca 0.43 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1qn1 s GLY 15 CO 0.74 -1.17 0.00 0.61 0.00 0.00 0.00 173.10 173.28 1qn1 n GLY 16 N 0.64 -1.14 2.96 0.20 0.00 -1.26 -5.13 105.19 101.45 1qn1 n GLY 16 Ca -0.12 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.73 1.61 2.13 -1.26 -3.19 120.64 116.20 1qn1 n GLU 17 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1qn1 n GLU 17 Cb 0.00 -0.98 0.01 0.00 0.27 0.00 0.00 31.44 30.74 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 2.39 -1.60 -1.74 5.31 5.02 -1.26 -4.56 118.16 121.72 1qn1 n LYS 18 Ca -0.01 0.88 -0.67 0.00 -2.02 0.00 0.00 58.31 56.48 1qn1 n LYS 18 Cb 0.54 -2.37 -0.10 0.00 -0.02 0.00 0.00 35.03 33.08 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 -2.26 1.15 -4.58 4.39 2.85 -1.19 -4.85 115.26 110.75 1qn1 n ASN 19 Ca -0.28 1.19 -0.41 0.00 -0.11 0.00 0.00 54.58 54.97 1qn1 n ASN 19 Cb 0.69 -0.88 -0.08 0.00 1.24 0.00 0.00 39.78 40.75 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 2.84 4.23 -0.19 1.20 2.34 -1.26 -5.03 118.68 122.80 1qn1 s LEU 20 Ca 1.04 0.16 -0.11 0.00 0.06 0.00 0.00 54.13 55.28 1qn1 s LEU 20 Cb -1.49 -2.59 0.06 0.00 -0.56 0.00 0.00 46.19 41.62 1qn1 s LEU 20 CO 0.81 -0.39 0.46 -0.89 -1.06 0.00 0.00 176.35 175.28 1qn1 s THR 21 N 2.34 -0.02 -0.15 5.48 2.01 -1.26 -4.60 115.64 119.43 1qn1 s THR 21 Ca 0.19 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.22 1qn1 s THR 21 Cb -0.16 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 1qn1 s THR 21 CO 0.12 0.03 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.35 1qn1 s VAL 22 N 1.24 3.91 -0.06 3.82 1.01 -0.23 -4.83 120.40 125.26 1qn1 s VAL 22 Ca -0.08 -0.35 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 1qn1 s VAL 22 Cb -0.07 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1qn1 s VAL 22 CO -0.12 0.50 0.60 -0.69 0.00 0.00 0.00 175.10 175.39 1qn1 s VAL 23 N 0.31 5.03 0.11 2.92 1.01 -1.26 0.19 120.40 128.72 1qn1 s VAL 23 Ca -0.04 1.24 0.09 0.00 0.00 0.00 0.00 61.98 63.28 1qn1 s VAL 23 Cb -0.14 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1qn1 s VAL 23 CO 0.03 0.33 -0.19 0.12 0.00 0.00 0.00 175.10 175.39 1qn1 s PHE 24 N 0.39 2.51 -0.00 5.22 2.19 -0.84 -4.91 117.98 122.54 1qn1 s PHE 24 Ca 0.32 -0.28 0.01 0.00 0.33 0.00 0.00 56.93 57.32 1qn1 s PHE 24 Cb -0.17 -1.34 -0.00 0.00 -1.31 0.00 0.00 43.02 40.19 1qn1 s PHE 24 CO 0.16 0.37 -0.04 -0.80 1.83 0.00 0.00 175.22 176.74 1qn1 s ASN 25 N -2.09 0.50 0.00 6.13 -0.87 -1.26 -2.88 114.94 114.46 1qn1 s ASN 25 Ca 0.17 -0.08 0.23 0.00 -1.57 0.00 0.00 52.86 51.61 1qn1 s ASN 25 Cb -0.10 -0.05 0.14 0.00 -0.02 0.00 0.00 41.25 41.21 1qn1 s ASN 25 CO 0.09 0.05 1.16 1.41 -2.57 0.00 0.00 177.10 177.24 1qn1 n HIS 26 N 2.96 0.00 0.26 2.20 8.25 -1.26 -3.92 115.22 123.71 1qn1 n HIS 26 Ca -0.13 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.45 1qn1 n HIS 26 Cb 0.59 -0.09 0.13 0.00 1.12 0.00 0.00 29.99 31.73 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 0.45 0.00 -0.50 0.41 4.64 -1.92 -3.23 113.55 113.39 1qn1 h SER 27 Ca 0.00 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 1qn1 h SER 27 Cb 0.54 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.56 1qn1 h SER 27 CO 0.00 0.01 0.10 0.35 -0.87 0.00 0.00 176.83 176.42 1qn1 n THR 28 N -2.74 2.64 -2.72 2.95 -2.24 -1.25 -4.33 114.28 106.59 1qn1 n THR 28 Ca 0.03 -1.87 -0.01 0.00 -2.27 0.00 0.00 64.05 59.92 1qn1 n THR 28 Cb 0.52 -0.31 0.11 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.35 -1.05 -0.10 4.78 8.25 -1.22 -4.91 115.22 120.61 1qn1 n HIS 29 Ca 0.32 -1.84 -0.12 0.00 -0.26 0.00 0.00 57.72 55.81 1qn1 n HIS 29 Cb 1.15 1.02 -0.15 0.00 1.12 0.00 0.00 29.99 33.13 1qn1 n HIS 29 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1qn1 n LYS 30 N -1.26 0.68 -0.05 -0.41 0.00 -1.24 -4.10 118.16 111.78 1qn1 n LYS 30 Ca -0.10 0.04 0.06 0.00 0.00 0.00 0.00 58.31 58.32 1qn1 n LYS 30 Cb 0.86 -1.53 0.29 0.00 0.00 0.00 0.00 35.03 34.64 1qn1 n LYS 30 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1qn1 n ASP 31 N -2.90 0.74 -0.03 3.14 5.68 -1.26 -3.93 116.55 117.99 1qn1 n ASP 31 Ca -0.36 -1.75 -0.02 0.00 -0.50 0.00 0.00 54.79 52.17 1qn1 n ASP 31 Cb 1.11 -0.07 -0.01 0.00 -1.14 0.00 0.00 41.12 41.02 1qn1 n ASP 31 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1qn1 h VAL 32 N 0.90 0.00 0.00 2.12 2.07 -1.94 -3.51 116.25 115.89 1qn1 h VAL 32 Ca 0.00 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1qn1 h VAL 32 Cb 0.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1qn1 h VAL 32 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 1qn1 n LYS 33 N -3.34 0.00 -0.93 1.57 5.02 -1.25 -4.96 118.16 114.26 1qn1 n LYS 33 Ca -0.03 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.08 1qn1 n LYS 33 Cb 0.10 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.16 1qn1 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qn1 n ASP 35 N 0.09 -0.23 -0.04 0.00 5.75 -1.26 -4.91 116.55 115.95 1qn1 n ASP 35 Ca 0.35 -1.17 -0.03 0.00 -0.01 0.00 0.00 54.79 53.92 1qn1 n ASP 35 Cb 0.65 0.13 -0.07 0.00 -1.03 0.00 0.00 41.12 40.81 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 -0.21 2.90 -0.04 -1.12 -0.08 -1.24 -4.66 116.55 112.10 1qn1 n ASP 36 Ca -0.03 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.22 1qn1 n ASP 36 Cb 0.55 0.78 -0.08 0.00 2.34 0.00 0.00 41.12 44.70 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 -2.37 3.40 -0.41 0.00 3.76 -1.26 -4.83 115.29 113.58 1qn1 s HIS 38 Ca -0.05 -1.69 0.05 0.00 -0.15 0.00 0.00 55.06 53.22 1qn1 s HIS 38 Cb 0.04 -4.12 0.53 0.00 1.11 0.00 0.00 32.58 30.14 1qn1 s HIS 38 CO 0.43 -1.30 1.67 -2.39 -0.85 0.00 0.00 174.74 172.30 1qn1 n HIS 39 N 5.51 2.28 -3.70 1.40 1.44 -1.26 -4.68 115.22 116.22 1qn1 n HIS 39 Ca 0.22 -2.06 -0.37 0.00 -2.01 0.00 0.00 57.72 53.50 1qn1 n HIS 39 Cb 0.48 -0.80 -0.09 0.00 0.12 0.00 0.00 29.99 29.69 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 -3.43 2.54 -0.14 -1.40 -0.21 -1.26 -5.04 119.66 110.71 1qn1 s GLN 40 Ca 0.53 -2.39 -0.29 0.00 0.02 0.00 0.00 55.36 53.22 1qn1 s GLN 40 Cb 0.45 -3.76 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 1qn1 s GLN 40 CO 0.03 -1.17 1.03 -1.25 -2.12 0.00 0.00 175.29 171.81 1qn1 s PRO 41 N 0.18 4.37 0.00 2.91 0.04 -1.26 -1.37 135.00 139.87 1qn1 s PRO 41 Ca 0.15 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1qn1 s PRO 41 Cb -0.20 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1qn1 s PRO 41 CO -0.04 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 176.99 1qn1 n GLY 42 N 3.18 0.82 0.00 0.56 0.00 -1.26 -4.64 105.19 103.85 1qn1 n GLY 42 Ca 0.10 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1qn1 n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qn1 n ASP 43 N 0.00 0.96 -0.59 1.61 2.03 -1.26 -4.50 116.55 114.80 1qn1 n ASP 43 Ca 0.00 -0.98 0.14 0.00 0.52 0.00 0.00 54.79 54.47 1qn1 n ASP 43 Cb 0.00 0.04 0.42 0.00 -0.72 0.00 0.00 41.12 40.86 1qn1 n ASP 43 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1qn1 n LYS 44 N -0.04 1.82 -0.33 -0.67 5.02 -1.26 -4.26 118.16 118.44 1qn1 n LYS 44 Ca 0.00 -1.19 0.23 0.00 -2.02 0.00 0.00 58.31 55.33 1qn1 n LYS 44 Cb 0.00 -1.48 0.46 0.00 -0.02 0.00 0.00 35.03 34.00 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 2.91 0.20 -0.27 1.97 4.15 -1.45 1.00 115.11 123.62 1qn1 h GLN 45 Ca 0.00 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 1qn1 h GLN 45 Cb 0.62 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.20 1qn1 h GLN 45 CO 0.00 0.13 -0.08 0.66 -1.93 0.00 0.00 178.83 177.61 1qn1 n TYR 46 N -5.16 0.87 -3.25 3.99 4.01 -1.26 -4.72 117.16 111.64 1qn1 n TYR 46 Ca 0.31 -1.36 -0.39 0.00 -0.16 0.00 0.00 57.90 56.30 1qn1 n TYR 46 Cb 0.99 -0.40 -0.06 0.00 -0.31 0.00 0.00 39.34 39.57 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 -3.11 3.55 0.43 -0.72 0.00 0.34 -5.02 121.76 117.24 1qn1 s ALA 47 Ca 0.42 0.03 -0.23 0.00 0.00 0.00 0.00 51.96 52.18 1qn1 s ALA 47 Cb 0.38 -2.67 -0.11 0.00 0.00 0.00 0.00 23.12 20.71 1qn1 s ALA 47 CO 0.02 0.32 0.77 0.41 0.00 0.00 0.00 175.76 177.27 1qn1 n GLY 48 N 1.99 -0.89 2.58 0.00 0.00 -1.26 -4.81 105.19 102.80 1qn1 n GLY 48 Ca -0.09 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1qn1 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 n THR 50 N 3.17 0.00 -0.58 0.00 -2.24 -1.25 -4.24 114.28 109.14 1qn1 n THR 50 Ca 0.59 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 62.18 1qn1 n THR 50 Cb 0.30 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.52 1qn1 n THR 50 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qn1 n THR 51 N -1.33 0.68 -0.99 4.28 -2.24 -1.22 -2.29 114.28 111.18 1qn1 n THR 51 Ca 0.00 -0.21 -0.32 0.00 -2.27 0.00 0.00 64.05 61.25 1qn1 n THR 51 Cb 0.00 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1qn1 n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qn1 n ASP 52 N 0.88 -3.55 -3.52 3.42 2.03 -1.26 -1.91 116.55 112.64 1qn1 n ASP 52 Ca 0.07 0.45 -0.25 0.00 0.52 0.00 0.00 54.79 55.58 1qn1 n ASP 52 Cb 0.12 -0.69 0.06 0.00 -0.72 0.00 0.00 41.12 39.90 1qn1 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qn1 n GLY 53 N 2.29 -0.54 0.00 0.27 0.00 -1.26 -4.89 105.19 101.07 1qn1 n GLY 53 Ca 0.05 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 3.09 -0.05 0.00 8.25 -1.25 -4.25 115.22 121.00 1qn1 n HIS 55 Ca 0.00 -2.91 -0.19 0.00 -0.26 0.00 0.00 57.72 54.36 1qn1 n HIS 55 Cb 0.00 -1.03 -0.13 0.00 1.12 0.00 0.00 29.99 29.96 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 3.90 0.13 -0.49 0.41 -1.24 -1.15 -3.27 115.58 113.87 1qn1 h ASN 56 Ca 0.44 -0.80 -0.80 0.00 0.71 0.00 0.00 56.30 55.85 1qn1 h ASN 56 Cb 0.36 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 1qn1 h ASN 56 CO 1.09 1.34 0.97 -0.38 -1.29 0.00 0.00 177.43 179.17 1qn1 n ILE 57 N -4.34 0.00 -1.59 2.57 5.41 -0.85 -4.65 119.36 115.91 1qn1 n ILE 57 Ca -0.21 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.21 1qn1 n ILE 57 Cb 0.68 -0.48 0.06 0.00 -0.71 0.00 0.00 39.64 39.18 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 5.53 7.01 -3.86 1.39 4.77 -1.26 -1.50 117.00 129.08 1qn1 n LEU 58 Ca 0.41 -4.49 -0.12 0.00 -0.03 0.00 0.00 56.01 51.78 1qn1 n LEU 58 Cb -0.05 -0.84 -0.14 0.00 -2.33 0.00 0.00 43.42 40.06 1qn1 n LEU 58 CO 0.86 1.67 -0.36 1.51 -1.33 0.00 0.00 177.39 179.74 1qn1 s ASP 59 N -2.17 0.01 -0.39 -1.43 1.47 -1.26 -5.00 116.67 107.90 1qn1 s ASP 59 Ca 0.60 0.00 -0.01 0.00 1.18 0.00 0.00 52.55 54.33 1qn1 s ASP 59 Cb 0.48 -0.01 0.29 0.00 -0.34 0.00 0.00 42.92 43.34 1qn1 s ASP 59 CO -0.06 -0.01 1.96 2.29 0.68 0.00 0.00 175.17 180.03 1qn1 n LYS 60 N 3.21 1.99 -0.05 2.11 2.85 -1.26 -3.82 118.16 123.19 1qn1 n LYS 60 Ca -0.14 -1.98 -0.05 0.00 -1.05 0.00 0.00 58.31 55.09 1qn1 n LYS 60 Cb 0.59 -1.78 -0.09 0.00 -0.65 0.00 0.00 35.03 33.11 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 -0.04 1.75 -2.63 0.58 0.00 -1.26 -4.96 120.51 113.95 1qn1 n ALA 61 Ca 0.38 -0.71 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1qn1 n ALA 61 Cb 0.68 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 20.11 1qn1 n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qn1 s ASP 62 N -4.31 7.25 -0.36 0.00 -1.08 -1.25 -4.91 116.67 112.00 1qn1 s ASP 62 Ca -0.05 1.68 -0.00 0.00 -0.52 0.00 0.00 52.55 53.65 1qn1 s ASP 62 Cb 0.03 -2.56 0.29 0.00 -1.46 0.00 0.00 42.92 39.21 1qn1 s ASP 62 CO 0.45 -0.39 1.92 0.29 0.52 0.00 0.00 175.17 177.96 1qn1 n LYS 63 N 4.45 1.92 -4.23 4.34 4.76 -1.26 -4.86 118.16 123.29 1qn1 n LYS 63 Ca 0.08 -1.87 -0.25 0.00 -2.87 0.00 0.00 58.31 53.40 1qn1 n LYS 63 Cb 0.49 -1.73 -0.08 0.00 -1.84 0.00 0.00 35.03 31.87 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 -0.24 4.32 -0.34 4.39 1.04 -1.26 -5.02 113.70 116.60 1qn1 s SER 64 Ca 0.37 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1qn1 s SER 64 Cb 0.29 -0.49 0.31 0.00 0.10 0.00 0.00 66.02 66.23 1qn1 s SER 64 CO 0.01 -0.48 1.84 0.52 0.98 0.00 0.00 173.24 176.11 1qn1 n VAL 65 N -1.16 2.70 -0.49 5.02 0.31 -1.26 -3.71 118.33 119.74 1qn1 n VAL 65 Ca -0.02 -1.61 0.03 0.00 -0.01 0.00 0.00 64.34 62.73 1qn1 n VAL 65 Cb 0.64 -1.07 0.05 0.00 -0.91 0.00 0.00 33.84 32.54 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 -0.11 1.89 -4.45 4.52 4.13 -1.26 -4.71 115.26 115.28 1qn1 n ASN 66 Ca 0.36 -2.28 -0.41 0.00 1.68 0.00 0.00 54.58 53.93 1qn1 n ASN 66 Cb 0.81 -0.15 -0.11 0.00 -1.54 0.00 0.00 39.78 38.80 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 -1.54 5.91 0.59 6.41 0.01 -1.24 -2.01 113.70 121.83 1qn1 s SER 67 Ca 0.10 -0.78 0.29 0.00 1.31 0.00 0.00 55.95 56.88 1qn1 s SER 67 Cb 0.09 -2.09 1.40 0.00 0.21 0.00 0.00 66.02 65.63 1qn1 s SER 67 CO 0.01 -0.35 1.79 -0.25 0.41 0.00 0.00 173.24 174.85 1qn1 h TRP 68 N 8.50 0.00 -1.35 2.43 -0.00 -1.32 0.56 115.95 124.77 1qn1 h TRP 68 Ca -0.28 0.00 -0.67 0.00 -0.00 0.00 0.00 58.89 57.94 1qn1 h TRP 68 Cb 1.13 0.00 -0.26 0.00 -0.00 0.00 0.00 29.16 30.03 1qn1 h TRP 68 CO 0.59 0.00 0.87 0.98 -0.00 0.00 0.00 178.44 180.88 1qn1 n TYR 69 N -3.70 2.83 0.12 2.65 9.36 -1.26 -3.99 117.16 123.16 1qn1 n TYR 69 Ca 0.13 -2.55 0.00 0.00 3.32 0.00 0.00 57.90 58.80 1qn1 n TYR 69 Cb 0.88 -1.30 0.00 0.00 -0.63 0.00 0.00 39.34 38.29 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 -0.48 0.00 0.00 2.98 3.00 0.19 -4.66 118.16 119.19 1qn1 n LYS 70 Ca 0.55 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.96 1qn1 n LYS 70 Cb 0.47 -0.05 0.51 0.00 0.00 0.00 0.00 35.03 35.95 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 -3.35 0.32 -0.06 3.15 0.24 -1.22 0.18 118.33 117.59 1qn1 n VAL 71 Ca 0.00 0.08 -0.19 0.00 -2.04 0.00 0.00 64.34 62.19 1qn1 n VAL 71 Cb 0.01 -0.77 -0.13 0.00 -1.47 0.00 0.00 33.84 31.48 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 -1.21 1.64 -0.53 3.34 0.31 -1.26 -4.16 118.33 116.46 1qn1 n VAL 72 Ca 0.10 -0.63 0.07 0.00 -0.01 0.00 0.00 64.34 63.88 1qn1 n VAL 72 Cb 0.13 -1.54 0.22 0.00 -0.91 0.00 0.00 33.84 31.74 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 -3.35 0.79 -1.07 3.52 8.25 -0.99 -3.68 115.22 118.69 1qn1 n HIS 73 Ca -0.38 -0.65 -0.32 0.00 -0.26 0.00 0.00 57.72 56.11 1qn1 n HIS 73 Cb 1.03 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.95 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 0.27 5.83 -0.27 0.41 8.00 0.48 -4.61 116.55 126.66 1qn1 n ASP 74 Ca 0.17 -2.50 0.33 0.00 0.71 0.00 0.00 54.79 53.51 1qn1 n ASP 74 Cb 0.66 -1.31 0.72 0.00 -0.02 0.00 0.00 41.12 41.17 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 6.03 3.00 0.44 2.24 0.00 -1.87 0.10 119.26 129.21 1qn1 h ALA 75 Ca 0.62 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 1qn1 h ALA 75 Cb 0.31 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1qn1 h ALA 75 CO 1.66 -1.46 -0.45 -0.22 0.00 0.00 0.00 179.25 178.78 1qn1 h LYS 76 N 0.00 -0.87 0.00 0.00 3.64 -1.96 -3.36 116.57 114.03 1qn1 h LYS 76 Ca 0.53 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 1qn1 h LYS 76 Cb 2.30 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 34.31 1qn1 h LYS 76 CO -0.01 -0.58 0.00 0.41 -2.27 0.00 0.00 179.45 177.01 1qn1 n GLY 77 N -1.50 0.08 0.00 5.01 0.00 0.36 -4.97 105.19 104.16 1qn1 n GLY 77 Ca -0.11 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 1.57 4.83 0.33 -0.02 0.00 -1.26 -4.95 105.19 105.69 1qn1 n GLY 78 Ca 0.00 -1.62 0.16 0.00 0.00 0.00 0.00 46.02 44.55 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 0.78 1.91 -3.77 4.61 0.00 -2.03 -3.39 119.26 117.37 1qn1 h ALA 79 Ca 0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.52 1qn1 h ALA 79 Cb 0.00 0.01 -0.31 0.00 0.00 0.00 0.00 17.79 17.50 1qn1 h ALA 79 CO 0.00 -0.27 -0.77 0.21 0.00 0.00 0.00 179.25 178.42 1qn1 s LYS 80 N -4.77 0.70 0.85 0.00 2.47 -1.26 -5.14 119.74 112.59 1qn1 s LYS 80 Ca -0.05 -0.20 -0.13 0.00 -1.56 0.00 0.00 55.97 54.03 1qn1 s LYS 80 Cb 0.16 -0.69 0.05 0.00 -1.46 0.00 0.00 37.83 35.90 1qn1 s LYS 80 CO 0.60 0.06 0.80 -0.35 0.16 0.00 0.00 175.35 176.62 1qn1 n PRO 81 N 3.36 -0.03 0.00 4.03 -0.04 -1.26 -4.88 135.00 136.18 1qn1 n PRO 81 Ca -0.18 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1qn1 n PRO 81 Cb 0.55 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 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 -3.32 0.00 0.00 0.52 -2.24 -1.26 -4.94 114.28 103.04 1qn1 n THR 82 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 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 h ILE 84 N 0.00 1.41 0.00 0.00 2.04 -1.87 -3.20 117.51 115.89 1qn1 h ILE 84 Ca 0.00 -3.07 0.00 0.00 1.00 0.00 0.00 64.86 62.79 1qn1 h ILE 84 Cb 0.51 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 1qn1 h ILE 84 CO 0.00 0.86 0.00 -1.54 0.00 0.00 0.00 178.15 177.47 1qn1 n SER 85 N -3.41 0.00 -0.37 1.72 3.41 -1.26 0.21 113.62 113.92 1qn1 n SER 85 Ca -0.09 0.46 -0.10 0.00 -0.26 0.00 0.00 58.87 58.89 1qn1 n SER 85 Cb 1.01 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.87 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 -1.37 -0.49 0.00 -0.00 -1.54 1.32 115.15 113.08 1qn1 h HIS 87 Ca 0.14 0.09 0.14 0.00 -0.00 0.00 0.00 60.37 60.73 1qn1 h HIS 87 Cb 0.36 0.69 -0.02 0.00 -0.00 0.00 0.00 27.41 28.43 1qn1 h HIS 87 CO -0.98 -0.42 0.35 -0.22 -0.00 0.00 0.00 177.93 176.66 1qn1 h LYS 88 N -0.21 0.03 -0.11 2.45 3.64 0.63 1.58 116.57 124.58 1qn1 h LYS 88 Ca 0.18 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1qn1 h LYS 88 Cb 0.55 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1qn1 h LYS 88 CO -0.73 0.02 0.00 -3.47 -2.27 0.00 0.00 179.45 173.01 1qn1 n ASP 89 N -4.40 0.90 -3.23 4.20 -0.08 0.43 -4.05 116.55 110.32 1qn1 n ASP 89 Ca 0.09 -1.69 -0.24 0.00 -1.51 0.00 0.00 54.79 51.43 1qn1 n ASP 89 Cb 0.54 -0.07 -0.07 0.00 2.34 0.00 0.00 41.12 43.86 1qn1 n ASP 89 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1qn1 n LYS 90 N -0.14 1.29 0.00 -0.67 4.76 0.54 -4.88 118.16 119.05 1qn1 n LYS 90 Ca 0.12 -3.66 0.00 0.00 -2.87 0.00 0.00 58.31 51.91 1qn1 n LYS 90 Cb 0.19 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 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 1.08 0.00 0.00 7.82 0.00 -1.24 -4.88 120.51 123.30 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 0.51 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 -1.40 -0.27 0.23 0.00 0.00 -1.26 -4.54 105.19 97.96 1qn1 n GLY 92 Ca 0.00 -2.12 0.13 0.00 0.00 0.00 0.00 46.02 44.03 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 2.03 -2.00 -3.42 116.42 114.43 1qn1 h ASP 93 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1qn1 h ASP 93 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1qn1 h ASP 93 CO 0.00 0.04 0.04 0.47 -1.03 0.00 0.00 179.24 178.76 1qn1 n ASP 94 N -3.11 1.49 -0.08 4.15 9.92 -1.26 -4.67 116.55 122.98 1qn1 n ASP 94 Ca 0.03 -1.94 0.25 0.00 -0.53 0.00 0.00 54.79 52.60 1qn1 n ASP 94 Cb 0.49 -1.67 0.56 0.00 -0.64 0.00 0.00 41.12 39.85 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 12.17 0.00 -0.64 -1.24 1.57 -1.96 1.47 116.57 127.94 1qn1 h LYS 95 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1qn1 h LYS 95 Cb 1.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 1qn1 h LYS 95 CO 1.01 0.00 0.42 1.49 -0.57 0.00 0.00 179.45 181.80 1qn1 h GLU 96 N 0.00 0.56 -0.31 3.15 4.57 -1.95 0.44 114.58 121.04 1qn1 h GLU 96 Ca 0.37 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1qn1 h GLU 96 Cb 2.20 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.66 1qn1 h GLU 96 CO -0.00 0.37 0.00 -0.11 -1.18 0.00 0.00 179.01 178.09 1qn1 n LEU 97 N -4.48 2.98 -0.09 1.64 0.00 0.50 -3.95 117.00 113.61 1qn1 n LEU 97 Ca 0.09 -1.26 -0.10 0.00 0.00 0.00 0.00 56.01 54.75 1qn1 n LEU 97 Cb 0.27 -0.20 -0.16 0.00 0.00 0.00 0.00 43.42 43.34 1qn1 n LEU 97 CO 0.34 0.63 -1.08 0.29 0.00 0.00 0.00 177.39 177.57 1qn1 n LYS 98 N 1.19 0.68 -0.25 1.96 5.02 0.13 -4.30 118.16 122.60 1qn1 n LYS 98 Ca 0.18 0.04 -0.04 0.00 -2.02 0.00 0.00 58.31 56.47 1qn1 n LYS 98 Cb 0.54 -1.56 0.07 0.00 -0.02 0.00 0.00 35.03 34.06 1qn1 n LYS 98 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1qn1 h LYS 99 N 0.00 0.86 -3.49 1.97 1.57 -0.89 0.34 116.57 116.93 1qn1 h LYS 99 Ca -0.51 -0.05 -0.78 0.00 -1.87 0.00 0.00 60.65 57.43 1qn1 h LYS 99 Cb 2.20 -0.19 -0.29 0.00 0.08 0.00 0.00 32.23 34.02 1qn1 h LYS 99 CO 0.03 0.57 0.36 1.17 -0.57 0.00 0.00 179.45 181.01 1qn1 n LYS 100 N -4.65 3.41 0.00 3.15 4.81 -1.22 -1.68 118.16 121.98 1qn1 n LYS 100 Ca 0.07 -4.47 0.00 0.00 -0.87 0.00 0.00 58.31 53.04 1qn1 n LYS 100 Cb 0.07 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 32.59 1qn1 n LYS 100 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1qn1 n LEU 101 N 2.56 0.00 -0.51 3.14 4.77 -1.21 -4.85 117.00 120.89 1qn1 n LEU 101 Ca 0.24 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1qn1 n LEU 101 Cb 0.38 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1qn1 n LEU 101 CO 0.46 0.00 0.25 0.35 -1.33 0.00 0.00 177.39 177.12 1qn1 n THR 102 N 0.00 0.00 -3.00 -5.08 -2.24 0.85 -4.81 114.28 100.01 1qn1 n THR 102 Ca 0.00 -0.01 -0.44 0.00 -2.27 0.00 0.00 64.05 61.33 1qn1 n THR 102 Cb 0.00 0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.46 1.63 0.17 3.38 0.00 0.75 -4.80 107.32 107.99 1qn1 s GLY 103 Ca 0.00 -2.13 -0.28 0.00 0.00 0.00 0.00 44.72 42.31 1qn1 s GLY 103 CO -0.00 1.81 1.51 0.00 0.00 0.00 0.00 173.10 176.41 1qn1 s LYS 105 N -5.56 3.02 0.00 0.00 2.20 -1.26 -4.32 119.74 113.82 1qn1 s LYS 105 Ca -0.12 -2.49 0.00 0.00 -0.36 0.00 0.00 55.97 53.00 1qn1 s LYS 105 Cb 0.12 -4.04 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 1qn1 s LYS 105 CO 0.62 -1.23 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 1qn1 n GLY 106 N 3.71 0.82 3.39 5.54 0.00 -1.05 -4.82 105.19 112.79 1qn1 n GLY 106 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.36 2.83 0.00 1.61 1.04 -0.62 -3.43 113.70 113.78 1qn1 s SER 107 Ca 0.00 -1.07 0.12 0.00 0.48 0.00 0.00 55.95 55.48 1qn1 s SER 107 Cb 0.00 -0.18 0.57 0.00 0.10 0.00 0.00 66.02 66.51 1qn1 s SER 107 CO 0.00 -0.18 1.33 0.00 0.98 0.00 0.00 173.24 175.37 1qn1 n ALA 108 N -0.49 1.65 -0.00 5.32 0.00 -1.26 -3.36 120.51 122.37 1qn1 n ALA 108 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1qn1 n ALA 108 Cb 0.61 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.00 3.41 0.14 0.00 4.02 -1.21 -4.69 115.29 115.95 1qn1 s HIS 110 Ca 0.00 -1.83 -0.10 0.00 1.02 0.00 0.00 55.06 54.15 1qn1 s HIS 110 Cb 0.00 -3.24 -0.06 0.00 -1.02 0.00 0.00 32.58 28.25 1qn1 s HIS 110 CO 0.00 -0.94 0.47 -1.25 1.02 0.00 0.00 174.74 174.04 1qn1 s PRO 111 N 1.35 3.81 0.00 8.40 0.04 -1.22 -2.52 135.00 144.86 1qn1 s PRO 111 Ca 0.05 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1qn1 s PRO 111 Cb -0.24 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1qn1 s PRO 111 CO -0.00 0.48 0.00 -1.13 0.04 0.00 0.00 177.00 176.38