#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 -5.57 -4.96 6.55 8.00 -1.26 -4.95 116.55 114.36 1qn1 n ASP 2 Ca 0.00 0.16 -0.22 0.00 0.71 0.00 0.00 54.79 55.44 1qn1 n ASP 2 Cb 0.00 -0.73 -0.01 0.00 -0.02 0.00 0.00 41.12 40.36 1qn1 n ASP 2 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1qn1 s VAL 3 N -2.01 4.66 0.07 2.53 0.11 -1.26 -5.09 120.40 119.42 1qn1 s VAL 3 Ca 0.40 -0.67 -0.23 0.00 -2.93 0.00 0.00 61.98 58.54 1qn1 s VAL 3 Cb -0.14 -3.68 -0.06 0.00 -1.53 0.00 0.00 36.38 30.97 1qn1 s VAL 3 CO 0.80 -0.38 0.69 -2.16 -3.33 0.00 0.00 175.10 170.72 1qn1 s PRO 4 N -4.29 4.41 0.25 1.54 0.04 -1.26 -5.06 135.00 130.64 1qn1 s PRO 4 Ca 0.42 0.95 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 1qn1 s PRO 4 Cb -0.10 -3.31 0.06 0.00 0.04 0.00 0.00 34.50 31.19 1qn1 s PRO 4 CO 0.34 0.45 0.13 0.00 0.04 0.00 0.00 177.00 177.96 1qn1 n ALA 5 N 2.25 -0.78 -2.23 8.56 0.00 -1.26 -4.73 120.51 122.32 1qn1 n ALA 5 Ca -0.06 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 1qn1 n ALA 5 Cb 0.50 -0.02 0.02 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 -1.87 4.86 0.00 0.00 1.11 -1.26 -4.73 116.67 114.78 1qn1 s ASP 6 Ca 0.10 -1.05 0.00 0.00 0.18 0.00 0.00 52.55 51.78 1qn1 s ASP 6 Cb -0.02 0.33 0.00 0.00 1.07 0.00 0.00 42.92 44.31 1qn1 s ASP 6 CO 0.08 -1.20 0.00 0.61 1.18 0.00 0.00 175.17 175.84 1qn1 n GLY 7 N -1.98 0.89 3.89 0.21 0.00 -1.26 -5.07 105.19 101.87 1qn1 n GLY 7 Ca 0.06 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 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 3.09 -0.05 4.61 0.00 -1.25 -4.99 121.76 121.16 1qn1 s ALA 8 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1qn1 s ALA 8 Cb 0.00 -2.91 0.03 0.00 0.00 0.00 0.00 23.12 20.24 1qn1 s ALA 8 CO 0.00 -0.86 0.09 -1.59 0.00 0.00 0.00 175.76 173.40 1qn1 s LYS 9 N -5.17 -0.04 -0.27 0.00 0.00 -1.26 -3.24 119.74 109.76 1qn1 s LYS 9 Ca 0.55 0.42 -0.12 0.00 0.00 0.00 0.00 55.97 56.82 1qn1 s LYS 9 Cb -0.11 -0.43 -0.05 0.00 0.00 0.00 0.00 37.83 37.25 1qn1 s LYS 9 CO 0.50 -0.31 0.25 0.42 0.00 0.00 0.00 175.35 176.21 1qn1 s ILE 10 N 2.13 5.27 -0.40 3.79 1.01 0.30 -4.86 121.20 128.44 1qn1 s ILE 10 Ca 0.04 0.30 0.07 0.00 0.00 0.00 0.00 60.65 61.06 1qn1 s ILE 10 Cb -0.12 -3.58 0.18 0.00 0.01 0.00 0.00 42.46 38.94 1qn1 s ILE 10 CO -0.04 0.23 0.58 -0.62 0.00 0.00 0.00 174.94 175.09 1qn1 s ASP 11 N 1.67 -1.00 0.00 3.58 2.15 -1.26 -1.09 116.67 120.72 1qn1 s ASP 11 Ca 0.10 -0.97 0.23 0.00 0.43 0.00 0.00 52.55 52.34 1qn1 s ASP 11 Cb -0.16 1.68 0.23 0.00 -0.30 0.00 0.00 42.92 44.38 1qn1 s ASP 11 CO 0.10 -0.18 1.27 0.49 -0.17 0.00 0.00 175.17 176.68 1qn1 n PHE 12 N 4.35 0.10 -3.67 -5.34 3.72 -1.26 -4.80 117.46 110.55 1qn1 n PHE 12 Ca 0.11 -0.05 -0.39 0.00 -0.05 0.00 0.00 57.45 57.07 1qn1 n PHE 12 Cb 0.55 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.98 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 -1.85 3.90 1.02 4.37 1.01 -1.26 -5.08 121.20 123.30 1qn1 s ILE 13 Ca 0.29 -1.52 -0.17 0.00 0.00 0.00 0.00 60.65 59.25 1qn1 s ILE 13 Cb 0.20 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.25 1qn1 s ILE 13 CO 0.30 -0.49 -0.14 0.00 0.00 0.00 0.00 174.94 174.61 1qn1 n ALA 14 N 4.82 -3.92 0.00 9.38 0.00 -1.26 -4.66 120.51 124.87 1qn1 n ALA 14 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1qn1 n ALA 14 Cb 0.43 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 2.22 3.17 0.00 0.00 0.00 -1.26 -4.92 105.19 104.39 1qn1 n GLY 15 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.98 0.69 -0.02 0.00 -1.26 -3.85 105.19 97.78 1qn1 n GLY 16 Ca 0.00 -1.00 0.50 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.17 1.61 2.13 -1.26 0.91 120.64 122.87 1qn1 n GLU 17 Ca 0.00 1.07 -0.19 0.00 0.66 0.00 0.00 57.16 58.70 1qn1 n GLU 17 Cb 0.00 -2.50 -0.05 0.00 0.27 0.00 0.00 31.44 29.16 1qn1 n GLU 17 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1qn1 n LYS 18 N -3.82 2.07 -2.36 5.31 4.81 -1.26 -4.91 118.16 117.99 1qn1 n LYS 18 Ca 0.42 -1.70 -0.24 0.00 -0.87 0.00 0.00 58.31 55.91 1qn1 n LYS 18 Cb 1.95 -1.90 0.07 0.00 0.02 0.00 0.00 35.03 35.18 1qn1 n LYS 18 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1qn1 s ASN 19 N 0.76 4.74 -0.03 3.14 4.22 0.26 -4.86 114.94 123.17 1qn1 s ASN 19 Ca 0.49 0.18 0.01 0.00 -2.14 0.00 0.00 52.86 51.40 1qn1 s ASN 19 Cb 0.31 -0.80 0.02 0.00 1.28 0.00 0.00 41.25 42.05 1qn1 s ASN 19 CO -0.11 -1.60 -0.03 -0.76 -2.04 0.00 0.00 177.10 172.56 1qn1 s LEU 20 N -5.14 1.38 -0.04 3.54 1.02 -1.26 -5.06 118.68 113.11 1qn1 s LEU 20 Ca 0.61 -0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.67 1qn1 s LEU 20 Cb -0.09 -0.37 0.02 0.00 0.02 0.00 0.00 46.19 45.78 1qn1 s LEU 20 CO 0.43 -0.05 -0.02 -0.89 0.02 0.00 0.00 176.35 175.85 1qn1 s THR 21 N 0.80 0.35 -0.17 5.49 2.01 -1.26 -4.53 115.64 118.33 1qn1 s THR 21 Ca -0.10 -0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.86 1qn1 s THR 21 Cb -0.13 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 1qn1 s THR 21 CO -0.00 0.19 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.41 1qn1 s VAL 22 N 1.05 3.98 -0.10 3.82 1.01 -0.25 -4.75 120.40 125.17 1qn1 s VAL 22 Ca -0.09 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 1qn1 s VAL 22 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1qn1 s VAL 22 CO -0.01 0.47 0.58 -0.69 0.00 0.00 0.00 175.10 175.45 1qn1 s VAL 23 N 0.52 5.12 0.01 2.92 1.01 -1.26 0.11 120.40 128.84 1qn1 s VAL 23 Ca -0.02 1.17 0.04 0.00 0.00 0.00 0.00 61.98 63.18 1qn1 s VAL 23 Cb -0.14 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1qn1 s VAL 23 CO 0.02 0.29 -0.11 0.12 0.00 0.00 0.00 175.10 175.43 1qn1 s PHE 24 N 0.72 2.77 -0.08 5.22 2.19 -1.20 -4.98 117.98 122.62 1qn1 s PHE 24 Ca 0.31 -0.12 -0.01 0.00 0.33 0.00 0.00 56.93 57.45 1qn1 s PHE 24 Cb -0.16 -1.56 0.03 0.00 -1.31 0.00 0.00 43.02 40.01 1qn1 s PHE 24 CO 0.14 0.32 -0.03 -0.80 1.83 0.00 0.00 175.22 176.68 1qn1 s ASN 25 N -1.39 1.67 0.23 6.13 -0.87 -1.26 -3.95 114.94 115.51 1qn1 s ASN 25 Ca 0.16 -0.16 0.05 0.00 -1.57 0.00 0.00 52.86 51.34 1qn1 s ASN 25 Cb -0.11 -0.57 0.24 0.00 -0.02 0.00 0.00 41.25 40.79 1qn1 s ASN 25 CO 0.06 -0.15 1.55 0.45 -2.57 0.00 0.00 177.10 176.45 1qn1 h HIS 26 N 8.10 0.28 -0.91 2.20 3.86 -1.86 -3.00 115.15 123.81 1qn1 h HIS 26 Ca -0.25 -0.11 0.23 0.00 -1.16 0.00 0.00 60.37 59.08 1qn1 h HIS 26 Cb 1.13 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 29.49 1qn1 h HIS 26 CO 0.48 0.78 0.62 0.66 0.86 0.00 0.00 177.93 181.33 1qn1 h SER 27 N 0.16 0.26 -0.53 2.45 4.64 -1.95 1.54 113.55 120.12 1qn1 h SER 27 Ca -0.01 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1qn1 h SER 27 Cb 1.14 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1qn1 h SER 27 CO 0.10 0.09 0.00 0.35 -0.87 0.00 0.00 176.83 176.50 1qn1 n THR 28 N -4.44 2.19 -2.46 2.95 -2.24 -1.14 -4.00 114.28 105.14 1qn1 n THR 28 Ca 0.20 -1.18 -0.01 0.00 -2.27 0.00 0.00 64.05 60.79 1qn1 n THR 28 Cb 0.81 -0.18 0.02 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.70 -0.15 -0.07 4.78 8.25 0.50 -4.88 115.22 124.35 1qn1 n HIS 29 Ca 0.24 -1.09 -0.12 0.00 -0.26 0.00 0.00 57.72 56.49 1qn1 n HIS 29 Cb 1.00 0.36 -0.15 0.00 1.12 0.00 0.00 29.99 32.33 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 -0.29 0.67 -0.02 -0.41 0.00 0.11 -3.96 118.16 114.27 1qn1 n LYS 30 Ca -0.08 0.13 0.09 0.00 0.00 0.00 0.00 58.31 58.44 1qn1 n LYS 30 Cb 0.89 -1.62 0.46 0.00 0.00 0.00 0.00 35.03 34.77 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 -2.98 0.42 -4.46 3.14 5.75 -1.26 -4.72 116.55 112.44 1qn1 n ASP 31 Ca -0.30 -1.54 -0.34 0.00 -0.01 0.00 0.00 54.79 52.60 1qn1 n ASP 31 Cb 1.09 -0.03 -0.13 0.00 -1.03 0.00 0.00 41.12 41.03 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 -1.94 3.76 -0.29 2.12 1.01 -1.25 -5.04 120.40 118.76 1qn1 s VAL 32 Ca 0.27 -0.40 -0.41 0.00 0.00 0.00 0.00 61.98 61.44 1qn1 s VAL 32 Cb 0.13 -2.65 -0.16 0.00 0.00 0.00 0.00 36.38 33.69 1qn1 s VAL 32 CO 0.21 0.48 1.70 0.29 0.00 0.00 0.00 175.10 177.79 1qn1 n LYS 33 N 3.70 0.99 0.33 2.72 4.01 -1.26 -4.75 118.16 123.90 1qn1 n LYS 33 Ca -0.17 0.36 0.22 0.00 -0.51 0.00 0.00 58.31 58.21 1qn1 n LYS 33 Cb 0.52 -2.02 1.18 0.00 -0.51 0.00 0.00 35.03 34.20 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 -3.18 0.67 0.18 0.00 5.68 -1.26 0.23 116.55 118.87 1qn1 n ASP 35 Ca -0.03 0.61 0.06 0.00 -0.50 0.00 0.00 54.79 54.93 1qn1 n ASP 35 Cb 0.08 -0.77 0.21 0.00 -1.14 0.00 0.00 41.12 39.50 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 0.11 -3.33 116.42 114.12 1qn1 h ASP 36 Ca 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 1qn1 h ASP 36 Cb 0.55 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.02 1qn1 h ASP 36 CO 0.00 0.35 -1.54 0.00 -1.03 0.00 0.00 179.24 177.02 1qn1 s HIS 38 N -2.19 3.90 -0.59 0.00 3.76 0.61 -4.87 115.29 115.90 1qn1 s HIS 38 Ca -0.13 -2.19 0.00 0.00 -0.15 0.00 0.00 55.06 52.59 1qn1 s HIS 38 Cb 0.03 -3.81 0.53 0.00 1.11 0.00 0.00 32.58 30.44 1qn1 s HIS 38 CO 0.22 -0.98 2.00 -2.39 -0.85 0.00 0.00 174.74 172.74 1qn1 n HIS 39 N 3.62 3.18 -3.48 1.40 1.44 -1.25 -4.01 115.22 116.11 1qn1 n HIS 39 Ca 0.16 -2.61 -0.43 0.00 -2.01 0.00 0.00 57.72 52.84 1qn1 n HIS 39 Cb 0.45 -1.28 -0.09 0.00 0.12 0.00 0.00 29.99 29.20 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 -3.63 2.82 0.25 -1.40 -1.52 -1.26 -4.91 119.66 110.01 1qn1 s GLN 40 Ca 0.62 -1.39 0.13 0.00 -1.95 0.00 0.00 55.36 52.77 1qn1 s GLN 40 Cb 0.50 -3.98 0.16 0.00 -0.22 0.00 0.00 33.01 29.47 1qn1 s GLN 40 CO 0.03 -0.99 1.48 -1.00 -0.25 0.00 0.00 175.29 174.56 1qn1 h PRO 41 N 8.60 0.00 0.00 2.91 0.13 -1.92 -3.35 132.00 138.37 1qn1 h PRO 41 Ca -0.26 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.81 1qn1 h PRO 41 Cb 1.10 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.26 1qn1 h PRO 41 CO 0.82 0.64 -0.03 0.41 -0.23 0.00 0.00 178.00 179.61 1qn1 n GLY 42 N 0.91 -2.31 1.88 1.56 0.00 -1.26 -4.78 105.19 101.18 1qn1 n GLY 42 Ca 0.00 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.98 6.00 -2.73 1.61 2.03 -1.26 -4.11 116.55 116.11 1qn1 n ASP 43 Ca 0.02 -3.07 -0.08 0.00 0.52 0.00 0.00 54.79 52.18 1qn1 n ASP 43 Cb 0.10 -0.98 0.09 0.00 -0.72 0.00 0.00 41.12 39.60 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 0.14 0.91 0.23 -0.67 5.02 -1.26 -4.97 118.16 117.56 1qn1 n LYS 44 Ca 0.32 -1.79 0.16 0.00 -2.02 0.00 0.00 58.31 54.98 1qn1 n LYS 44 Cb 0.68 -0.99 0.71 0.00 -0.02 0.00 0.00 35.03 35.40 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 3.04 0.00 -0.58 1.97 4.15 -1.71 1.84 115.11 123.81 1qn1 h GLN 45 Ca -0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1qn1 h GLN 45 Cb 1.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1qn1 h GLN 45 CO 0.14 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.70 1qn1 n TYR 46 N -3.15 2.00 -2.11 3.99 4.01 -1.26 -4.54 117.16 116.11 1qn1 n TYR 46 Ca 0.02 -0.72 -0.39 0.00 -0.16 0.00 0.00 57.90 56.65 1qn1 n TYR 46 Cb 0.57 -0.48 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 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 -2.67 3.27 0.46 -0.72 0.00 0.62 -4.92 121.76 117.80 1qn1 s ALA 47 Ca 0.54 1.19 -0.22 0.00 0.00 0.00 0.00 51.96 53.47 1qn1 s ALA 47 Cb 0.41 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.95 1qn1 s ALA 47 CO 0.17 -0.75 0.60 0.41 0.00 0.00 0.00 175.76 176.19 1qn1 n GLY 48 N 0.69 -1.32 0.16 0.00 0.00 -1.26 -4.90 105.19 98.56 1qn1 n GLY 48 Ca 0.03 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 0.04 0.00 0.00 0.00 1.35 -1.91 -1.19 112.91 111.21 1qn1 h THR 50 Ca -0.03 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1qn1 h THR 50 Cb 1.12 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1qn1 h THR 50 CO 0.10 0.00 0.00 0.41 -0.25 0.00 0.00 175.52 175.78 1qn1 n THR 51 N -2.18 0.00 -4.95 6.82 -1.04 -1.26 -3.29 114.28 108.38 1qn1 n THR 51 Ca -0.01 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.68 1qn1 n THR 51 Cb 0.02 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.40 1qn1 n THR 51 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1qn1 s ASP 52 N -2.85 3.85 -1.31 8.00 1.47 -1.26 -4.60 116.67 119.96 1qn1 s ASP 52 Ca 0.00 -0.25 -0.03 0.00 1.18 0.00 0.00 52.55 53.45 1qn1 s ASP 52 Cb 0.00 -0.75 0.01 0.00 -0.34 0.00 0.00 42.92 41.85 1qn1 s ASP 52 CO 0.00 0.34 0.85 0.61 0.68 0.00 0.00 175.17 177.65 1qn1 n GLY 53 N 2.29 -0.35 0.00 2.12 0.00 -1.26 -4.92 105.19 103.06 1qn1 n GLY 53 Ca -0.17 0.14 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 2.90 -0.04 0.00 8.25 -0.45 -4.26 115.22 121.62 1qn1 n HIS 55 Ca 0.00 -2.52 -0.20 0.00 -0.26 0.00 0.00 57.72 54.73 1qn1 n HIS 55 Cb 0.00 -1.15 -0.13 0.00 1.12 0.00 0.00 29.99 29.83 1qn1 n HIS 55 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 1qn1 h ASN 56 N 3.69 0.21 -0.60 0.41 -1.07 -1.50 -3.23 115.58 113.49 1qn1 h ASN 56 Ca 0.53 -0.79 -0.83 0.00 0.07 0.00 0.00 56.30 55.29 1qn1 h ASN 56 Cb 0.22 -0.07 -0.01 0.00 -2.07 0.00 0.00 38.32 36.40 1qn1 h ASN 56 CO 1.26 1.47 0.97 -0.38 0.07 0.00 0.00 177.43 180.82 1qn1 n ILE 57 N -4.19 0.01 -1.65 6.14 5.41 -0.85 -4.64 119.36 119.59 1qn1 n ILE 57 Ca -0.24 -0.01 -0.33 0.00 1.00 0.00 0.00 62.75 63.17 1qn1 n ILE 57 Cb 0.76 -0.54 0.06 0.00 -0.71 0.00 0.00 39.64 39.21 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 5.59 6.91 -4.42 1.39 4.77 -1.26 -1.66 117.00 128.32 1qn1 n LEU 58 Ca 0.41 -4.54 -0.21 0.00 -0.03 0.00 0.00 56.01 51.64 1qn1 n LEU 58 Cb -0.04 -0.83 -0.10 0.00 -2.33 0.00 0.00 43.42 40.12 1qn1 n LEU 58 CO 0.89 1.70 -0.35 -1.81 -1.33 0.00 0.00 177.39 176.49 1qn1 s ASP 59 N -2.19 2.64 -0.09 -1.43 1.01 -1.26 -5.00 116.67 110.35 1qn1 s ASP 59 Ca 0.59 -1.22 0.04 0.00 0.71 0.00 0.00 52.55 52.67 1qn1 s ASP 59 Cb 0.47 -0.14 -0.08 0.00 1.01 0.00 0.00 42.92 44.18 1qn1 s ASP 59 CO -0.08 -0.39 -0.03 2.29 0.21 0.00 0.00 175.17 177.17 1qn1 n LYS 60 N -0.58 1.51 0.23 8.23 -0.00 -1.26 -4.46 118.16 121.83 1qn1 n LYS 60 Ca -0.05 0.03 0.15 0.00 -0.00 0.00 0.00 58.31 58.44 1qn1 n LYS 60 Cb 0.64 -1.20 0.80 0.00 -0.00 0.00 0.00 35.03 35.28 1qn1 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qn1 h ALA 61 N 0.19 1.03 -2.86 0.58 0.00 -1.98 -3.36 119.26 112.87 1qn1 h ALA 61 Ca -0.21 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.02 1qn1 h ALA 61 Cb 1.41 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.97 1qn1 h ALA 61 CO -0.01 -0.03 -0.55 -0.51 0.00 0.00 0.00 179.25 178.15 1qn1 s ASP 62 N -4.39 5.60 0.00 0.00 1.11 -1.26 -5.07 116.67 112.66 1qn1 s ASP 62 Ca -0.03 -0.56 0.00 0.00 0.18 0.00 0.00 52.55 52.14 1qn1 s ASP 62 Cb 0.09 -2.01 0.00 0.00 1.07 0.00 0.00 42.92 42.06 1qn1 s ASP 62 CO 0.27 -0.22 0.00 0.29 1.18 0.00 0.00 175.17 176.69 1qn1 n LYS 63 N 4.99 2.91 -0.79 8.23 5.02 -1.26 -4.79 118.16 132.46 1qn1 n LYS 63 Ca -0.14 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.24 1qn1 n LYS 63 Cb 0.49 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.45 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 0.00 -4.30 -1.89 4.39 2.88 -1.26 -4.42 113.62 109.02 1qn1 n SER 64 Ca 0.00 0.82 -0.18 0.00 -1.33 0.00 0.00 58.87 58.17 1qn1 n SER 64 Cb 0.00 -2.70 0.08 0.00 -0.75 0.00 0.00 64.21 60.83 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 -3.22 2.70 -0.07 2.46 0.31 -1.26 -3.73 118.33 115.52 1qn1 n VAL 65 Ca -0.05 -1.61 0.01 0.00 -0.01 0.00 0.00 64.34 62.68 1qn1 n VAL 65 Cb 0.37 -1.02 0.03 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 -0.20 2.17 -4.38 4.52 3.02 -1.26 -4.65 115.26 114.47 1qn1 n ASN 66 Ca 0.37 -2.04 -0.41 0.00 -0.03 0.00 0.00 54.58 52.48 1qn1 n ASN 66 Cb 0.87 -0.05 -0.11 0.00 -0.61 0.00 0.00 39.78 39.88 1qn1 n ASN 66 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1qn1 s SER 67 N -1.06 5.75 0.52 6.41 0.01 -1.24 -2.01 113.70 122.08 1qn1 s SER 67 Ca 0.05 -0.98 0.36 0.00 1.31 0.00 0.00 55.95 56.69 1qn1 s SER 67 Cb 0.03 -2.03 1.52 0.00 0.21 0.00 0.00 66.02 65.75 1qn1 s SER 67 CO 0.03 -0.39 1.76 -0.25 0.41 0.00 0.00 173.24 174.80 1qn1 h TRP 68 N 8.44 0.11 -1.26 2.43 -0.00 -1.33 0.67 115.95 125.01 1qn1 h TRP 68 Ca -0.26 0.00 -0.58 0.00 -0.00 0.00 0.00 58.89 58.06 1qn1 h TRP 68 Cb 1.10 -0.03 -0.21 0.00 -0.00 0.00 0.00 29.16 30.02 1qn1 h TRP 68 CO 0.57 -0.01 0.66 0.98 -0.00 0.00 0.00 178.44 180.64 1qn1 n TYR 69 N -4.22 2.20 0.14 2.65 9.36 -1.26 -3.94 117.16 122.09 1qn1 n TYR 69 Ca 0.29 -2.19 0.00 0.00 3.32 0.00 0.00 57.90 59.32 1qn1 n TYR 69 Cb 1.33 -1.28 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 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 0.16 0.00 0.00 2.98 3.00 0.23 -4.69 118.16 119.85 1qn1 n LYS 70 Ca 0.50 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.88 1qn1 n LYS 70 Cb 0.47 -0.02 0.40 0.00 0.00 0.00 0.00 35.03 35.87 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 -3.47 0.58 -0.03 3.15 0.24 -1.23 0.19 118.33 117.76 1qn1 n VAL 71 Ca 0.00 0.14 -0.21 0.00 -2.04 0.00 0.00 64.34 62.23 1qn1 n VAL 71 Cb 0.00 -0.88 -0.13 0.00 -1.47 0.00 0.00 33.84 31.36 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 -1.31 1.72 -0.65 3.34 0.31 -1.25 -4.11 118.33 116.37 1qn1 n VAL 72 Ca 0.07 -0.56 0.08 0.00 -0.01 0.00 0.00 64.34 63.92 1qn1 n VAL 72 Cb 0.13 -1.74 0.26 0.00 -0.91 0.00 0.00 33.84 31.58 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 -3.59 0.97 -1.45 3.52 8.25 -0.94 -3.85 115.22 118.14 1qn1 n HIS 73 Ca -0.34 -0.69 -0.40 0.00 -0.26 0.00 0.00 57.72 56.03 1qn1 n HIS 73 Cb 0.99 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.87 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 0.23 5.01 -0.49 0.41 8.00 0.49 -4.68 116.55 125.54 1qn1 n ASP 74 Ca 0.20 -2.70 0.43 0.00 0.71 0.00 0.00 54.79 53.42 1qn1 n ASP 74 Cb 0.76 -1.50 0.72 0.00 -0.02 0.00 0.00 41.12 41.08 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 6.06 3.45 -3.13 2.24 0.00 -1.87 -2.24 119.26 123.76 1qn1 h ALA 75 Ca 0.62 -0.05 -0.67 0.00 0.00 0.00 0.00 54.91 54.81 1qn1 h ALA 75 Cb 0.51 0.12 -0.38 0.00 0.00 0.00 0.00 17.79 18.03 1qn1 h ALA 75 CO 1.84 -2.02 -0.42 0.21 0.00 0.00 0.00 179.25 178.86 1qn1 s LYS 76 N -4.77 2.56 0.00 0.00 2.47 -1.26 -4.28 119.74 114.46 1qn1 s LYS 76 Ca -0.04 -2.92 0.00 0.00 -1.56 0.00 0.00 55.97 51.44 1qn1 s LYS 76 Cb 0.23 -3.61 0.00 0.00 -1.46 0.00 0.00 37.83 32.99 1qn1 s LYS 76 CO 0.77 -1.21 0.00 0.41 0.16 0.00 0.00 175.35 175.48 1qn1 n GLY 77 N 2.76 -1.22 0.00 5.54 0.00 -0.84 -5.08 105.19 106.34 1qn1 n GLY 77 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 2.48 -1.49 0.32 -0.02 0.00 -1.26 -4.95 105.19 100.27 1qn1 n GLY 78 Ca 0.00 0.63 -0.05 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 0.99 -3.69 4.61 0.00 -2.05 -3.43 119.26 115.70 1qn1 h ALA 79 Ca 0.00 -0.15 -0.38 0.00 0.00 0.00 0.00 54.91 54.38 1qn1 h ALA 79 Cb 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 17.79 17.24 1qn1 h ALA 79 CO 0.00 0.54 -0.77 0.21 0.00 0.00 0.00 179.25 179.23 1qn1 s LYS 80 N -5.73 0.74 0.90 0.00 2.20 -1.26 -5.15 119.74 111.45 1qn1 s LYS 80 Ca -0.13 -0.61 -0.11 0.00 -0.36 0.00 0.00 55.97 54.77 1qn1 s LYS 80 Cb 0.15 -0.68 0.13 0.00 -1.51 0.00 0.00 37.83 35.92 1qn1 s LYS 80 CO 0.81 0.17 1.10 -1.25 -0.36 0.00 0.00 175.35 175.82 1qn1 s PRO 81 N -0.94 1.18 0.00 4.03 0.04 -1.26 -4.68 135.00 133.36 1qn1 s PRO 81 Ca -0.01 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1qn1 s PRO 81 Cb -0.07 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1qn1 s PRO 81 CO 0.01 -2.37 0.00 0.25 0.04 0.00 0.00 177.00 174.93 1qn1 n THR 82 N -4.00 0.00 0.00 1.26 -2.24 -1.26 -4.95 114.28 103.08 1qn1 n THR 82 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1qn1 n THR 82 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.22 0.00 0.00 2.04 -1.86 -3.13 117.51 115.78 1qn1 h ILE 84 Ca 0.00 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.26 1qn1 h ILE 84 Cb 0.11 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1qn1 h ILE 84 CO 0.00 0.67 0.00 -1.54 0.00 0.00 0.00 178.15 177.28 1qn1 n SER 85 N -3.33 0.00 -0.29 1.72 3.41 -1.26 0.15 113.62 114.02 1qn1 n SER 85 Ca 0.01 0.37 0.07 0.00 -0.26 0.00 0.00 58.87 59.06 1qn1 n SER 85 Cb 0.78 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.89 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 -1.20 -0.29 0.00 -0.00 -1.54 1.64 115.15 113.76 1qn1 h HIS 87 Ca 0.43 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.85 1qn1 h HIS 87 Cb 0.75 0.46 -0.04 0.00 -0.00 0.00 0.00 27.41 28.58 1qn1 h HIS 87 CO -0.56 -0.61 0.05 -0.22 -0.00 0.00 0.00 177.93 176.60 1qn1 h LYS 88 N -0.91 0.16 0.00 2.45 3.11 0.89 0.34 116.57 122.60 1qn1 h LYS 88 Ca -0.05 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1qn1 h LYS 88 Cb 0.80 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.99 1qn1 h LYS 88 CO -0.05 0.10 0.00 -0.44 -2.81 0.00 0.00 179.45 176.26 1qn1 h ASP 89 N 0.16 0.00 -0.61 4.20 3.32 0.16 -1.36 116.42 122.29 1qn1 h ASP 89 Ca 0.14 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.83 1qn1 h ASP 89 Cb 0.14 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.49 1qn1 h ASP 89 CO -0.18 0.00 0.09 0.29 -1.72 0.00 0.00 179.24 177.71 1qn1 n LYS 90 N -2.47 2.23 -0.79 3.56 4.76 0.56 -4.32 118.16 121.69 1qn1 n LYS 90 Ca 0.01 -3.30 0.03 0.00 -2.87 0.00 0.00 58.31 52.18 1qn1 n LYS 90 Cb 0.19 -2.00 0.05 0.00 -1.84 0.00 0.00 35.03 31.43 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 -1.06 2.33 0.00 7.82 0.00 -0.33 -4.89 120.51 124.39 1qn1 n ALA 91 Ca 0.44 -1.92 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1qn1 n ALA 91 Cb 1.10 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1qn1 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qn1 n GLY 92 N -0.15 1.44 0.00 0.00 0.00 -1.26 -3.39 105.19 101.83 1qn1 n GLY 92 Ca 0.06 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1qn1 n GLY 92 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qn1 n ASP 93 N -0.25 1.81 -4.56 1.61 5.75 -1.26 -4.89 116.55 114.76 1qn1 n ASP 93 Ca 0.00 -0.32 -0.20 0.00 -0.01 0.00 0.00 54.79 54.26 1qn1 n ASP 93 Cb 0.00 1.21 -0.06 0.00 -1.03 0.00 0.00 41.12 41.24 1qn1 n ASP 93 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1qn1 s ASP 94 N -2.43 4.45 0.60 -1.12 1.11 -1.22 -4.72 116.67 113.35 1qn1 s ASP 94 Ca -0.00 -0.40 0.30 0.00 0.18 0.00 0.00 52.55 52.62 1qn1 s ASP 94 Cb 0.06 -2.56 1.20 0.00 1.07 0.00 0.00 42.92 42.69 1qn1 s ASP 94 CO 0.35 -3.41 1.54 0.11 1.18 0.00 0.00 175.17 174.94 1qn1 h LYS 95 N 11.88 0.00 -0.72 8.23 6.56 -1.90 1.49 116.57 142.11 1qn1 h LYS 95 Ca 0.05 0.00 0.10 0.00 -1.06 0.00 0.00 60.65 59.75 1qn1 h LYS 95 Cb 1.00 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.61 1qn1 h LYS 95 CO 1.10 0.00 0.47 1.49 -2.06 0.00 0.00 179.45 180.46 1qn1 h GLU 96 N 0.00 0.57 -0.00 3.15 4.81 -1.92 0.72 114.58 121.90 1qn1 h GLU 96 Ca 0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1qn1 h GLU 96 Cb 2.39 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.65 1qn1 h GLU 96 CO -0.00 0.37 -0.22 -0.11 -0.73 0.00 0.00 179.01 178.32 1qn1 n LEU 97 N -4.49 0.31 0.04 1.64 0.00 0.51 -3.36 117.00 111.65 1qn1 n LEU 97 Ca 0.12 0.19 -0.12 0.00 0.00 0.00 0.00 56.01 56.20 1qn1 n LEU 97 Cb 0.36 -0.33 -0.14 0.00 0.00 0.00 0.00 43.42 43.32 1qn1 n LEU 97 CO 0.33 0.07 -0.27 0.11 0.00 0.00 0.00 177.39 177.62 1qn1 h LYS 98 N 0.15 0.12 -0.96 1.96 1.79 0.47 -3.30 116.57 116.80 1qn1 h LYS 98 Ca 0.00 -0.20 0.15 0.00 -2.18 0.00 0.00 60.65 58.42 1qn1 h LYS 98 Cb 0.47 0.08 -0.08 0.00 -1.58 0.00 0.00 32.23 31.11 1qn1 h LYS 98 CO 0.00 0.92 0.61 0.87 -1.08 0.00 0.00 179.45 180.77 1qn1 h LYS 99 N 0.03 0.77 -3.44 3.15 1.57 -1.11 -2.06 116.57 115.47 1qn1 h LYS 99 Ca -0.20 -0.05 -0.67 0.00 -1.87 0.00 0.00 60.65 57.87 1qn1 h LYS 99 Cb 1.95 -0.17 -0.38 0.00 0.08 0.00 0.00 32.23 33.71 1qn1 h LYS 99 CO 0.13 0.51 -0.46 0.21 -0.57 0.00 0.00 179.45 179.26 1qn1 s LYS 100 N -5.79 2.38 0.00 3.15 2.20 -1.24 -3.54 119.74 116.89 1qn1 s LYS 100 Ca -0.11 -2.68 0.00 0.00 -0.36 0.00 0.00 55.97 52.82 1qn1 s LYS 100 Cb 0.23 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1qn1 s LYS 100 CO 0.80 -1.16 0.00 1.28 -0.36 0.00 0.00 175.35 175.91 1qn1 n LEU 101 N 3.15 0.00 0.00 5.43 4.77 -1.21 -4.87 117.00 124.27 1qn1 n LEU 101 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1qn1 n LEU 101 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1qn1 n LEU 101 CO 0.34 0.00 -0.09 0.35 -1.33 0.00 0.00 177.39 176.66 1qn1 n THR 102 N 0.00 0.00 -0.98 -5.08 -2.24 -0.92 -4.72 114.28 100.34 1qn1 n THR 102 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1qn1 n THR 102 Cb 0.00 -0.37 0.04 0.00 -2.10 0.00 0.00 70.33 67.89 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 1.81 -4.14 0.11 3.38 0.00 -0.82 -4.96 105.19 100.56 1qn1 n GLY 103 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.39 3.11 0.00 0.00 2.20 -1.25 -2.49 119.74 120.92 1qn1 s LYS 105 Ca 0.00 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 1qn1 s LYS 105 Cb 0.00 -4.92 0.00 0.00 -1.51 0.00 0.00 37.83 31.40 1qn1 s LYS 105 CO 0.00 -2.58 0.00 0.41 -0.36 0.00 0.00 175.35 172.82 1qn1 n GLY 106 N 6.42 1.94 3.24 5.54 0.00 -1.26 -4.99 105.19 116.08 1qn1 n GLY 106 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 1.60 0.65 1.61 0.15 -1.04 -4.46 113.70 110.22 1qn1 s SER 107 Ca 0.00 -1.03 0.31 0.00 0.70 0.00 0.00 55.95 55.93 1qn1 s SER 107 Cb 0.00 0.02 1.69 0.00 -1.71 0.00 0.00 66.02 66.02 1qn1 s SER 107 CO 0.00 -0.39 1.95 0.00 1.20 0.00 0.00 173.24 176.00 1qn1 h ALA 108 N 2.80 1.29 -3.05 5.45 0.00 -1.85 -3.31 119.26 120.59 1qn1 h ALA 108 Ca -0.36 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.88 1qn1 h ALA 108 Cb 1.19 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.69 1qn1 h ALA 108 CO 0.64 -0.29 -0.74 0.00 0.00 0.00 0.00 179.25 178.87 1qn1 n HIS 110 N 4.76 -1.53 -3.16 0.00 -0.00 -1.26 -4.39 115.22 109.64 1qn1 n HIS 110 Ca -0.18 0.58 -0.39 0.00 -0.00 0.00 0.00 57.72 57.73 1qn1 n HIS 110 Cb 0.50 -2.86 -0.06 0.00 -0.00 0.00 0.00 29.99 27.57 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 -3.02 4.34 0.00 -0.41 0.04 -1.25 -3.91 135.00 130.79 1qn1 s PRO 111 Ca 0.01 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1qn1 s PRO 111 Cb -0.00 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1qn1 s PRO 111 CO 0.39 0.60 0.00 -1.13 0.04 0.00 0.00 177.00 176.90