#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 0.68 0.00 4.52 -0.08 -1.26 -5.10 116.55 115.31 1qn1 n ASP 2 Ca 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 1qn1 n ASP 2 Cb 0.00 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.33 1qn1 n ASP 2 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1qn1 n VAL 3 N -3.42 0.00 -1.13 5.18 0.31 -1.26 -5.10 118.33 112.91 1qn1 n VAL 3 Ca 0.00 0.00 -0.49 0.00 -0.01 0.00 0.00 64.34 63.84 1qn1 n VAL 3 Cb 0.05 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.90 1qn1 n VAL 3 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1qn1 n PRO 4 N 0.00 0.00 0.00 5.55 -0.02 -1.26 -4.87 135.00 134.40 1qn1 n PRO 4 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1qn1 n PRO 4 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1qn1 n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qn1 n ALA 5 N 4.54 0.00 -2.21 3.55 0.00 -1.26 -4.41 120.51 120.72 1qn1 n ALA 5 Ca 0.34 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.59 1qn1 n ALA 5 Cb -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.80 5.39 0.00 0.00 1.01 -1.26 -4.43 116.67 115.59 1qn1 s ASP 6 Ca 0.00 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.72 1qn1 s ASP 6 Cb 0.00 -0.73 0.00 0.00 1.01 0.00 0.00 42.92 43.20 1qn1 s ASP 6 CO 0.00 -0.62 0.00 0.61 0.21 0.00 0.00 175.17 175.37 1qn1 n GLY 7 N -1.64 0.78 3.50 0.21 0.00 -1.10 -5.00 105.19 101.94 1qn1 n GLY 7 Ca 0.04 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 3.37 0.04 4.61 0.00 -1.21 -4.89 121.76 121.69 1qn1 s ALA 8 Ca 0.00 -2.83 -0.31 0.00 0.00 0.00 0.00 51.96 48.82 1qn1 s ALA 8 Cb 0.00 -4.28 -0.10 0.00 0.00 0.00 0.00 23.12 18.73 1qn1 s ALA 8 CO 0.00 -3.13 1.90 0.36 0.00 0.00 0.00 175.76 174.89 1qn1 n LYS 9 N 7.17 2.68 -3.58 0.00 0.00 -1.26 -3.27 118.16 119.91 1qn1 n LYS 9 Ca 0.34 0.98 -0.37 0.00 -0.00 0.00 0.00 58.31 59.25 1qn1 n LYS 9 Cb 0.47 -2.89 -0.10 0.00 -0.00 0.00 0.00 35.03 32.52 1qn1 n LYS 9 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1qn1 s ILE 10 N 3.73 5.31 -0.48 0.58 1.01 0.59 -4.82 121.20 127.12 1qn1 s ILE 10 Ca 0.87 0.28 0.07 0.00 0.00 0.00 0.00 60.65 61.87 1qn1 s ILE 10 Cb -0.51 -3.56 0.19 0.00 0.01 0.00 0.00 42.46 38.59 1qn1 s ILE 10 CO 0.42 0.28 0.68 -0.62 0.00 0.00 0.00 174.94 175.70 1qn1 s ASP 11 N 1.36 -1.32 0.03 3.58 2.15 -1.26 -0.46 116.67 120.74 1qn1 s ASP 11 Ca 0.09 -1.48 0.22 0.00 0.43 0.00 0.00 52.55 51.81 1qn1 s ASP 11 Cb -0.15 1.81 -0.23 0.00 -0.30 0.00 0.00 42.92 44.05 1qn1 s ASP 11 CO 0.08 -0.10 0.63 0.49 -0.17 0.00 0.00 175.17 176.10 1qn1 n PHE 12 N 3.43 0.31 -3.82 -5.34 3.72 -1.26 -4.93 117.46 109.56 1qn1 n PHE 12 Ca 0.16 0.09 -0.26 0.00 -0.05 0.00 0.00 57.45 57.39 1qn1 n PHE 12 Cb 0.56 -0.67 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 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 -3.41 5.26 -1.36 4.37 1.01 -1.26 -5.00 121.20 120.82 1qn1 s ILE 13 Ca -0.06 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 1qn1 s ILE 13 Cb 0.12 -3.76 0.10 0.00 0.01 0.00 0.00 42.46 38.93 1qn1 s ILE 13 CO 0.87 -0.17 2.45 0.00 0.00 0.00 0.00 174.94 178.09 1qn1 n ALA 14 N -0.73 6.89 -1.27 9.38 0.00 -1.26 -4.83 120.51 128.69 1qn1 n ALA 14 Ca -0.06 -4.02 -0.43 0.00 0.00 0.00 0.00 53.44 48.92 1qn1 n ALA 14 Cb 0.54 -2.84 -0.03 0.00 0.00 0.00 0.00 19.45 17.13 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 1.93 -1.60 0.00 0.00 0.00 -1.26 -4.93 105.19 99.33 1qn1 n GLY 15 Ca 0.64 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.97 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 1.82 -1.09 3.42 -0.02 0.00 -1.26 -4.57 105.19 103.49 1qn1 n GLY 16 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.39 0.00 0.00 1.61 2.13 -1.26 -4.49 120.64 118.24 1qn1 n GLU 17 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1qn1 n GLU 17 Cb 0.00 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.41 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 7.31 0.00 -3.54 5.31 3.00 -1.26 -4.29 118.16 124.68 1qn1 n LYS 18 Ca 0.65 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 58.60 1qn1 n LYS 18 Cb 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.02 1qn1 n LYS 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1qn1 s ASN 19 N -4.00 6.38 -0.25 3.14 4.22 -1.26 -4.70 114.94 118.47 1qn1 s ASN 19 Ca 0.00 0.44 -0.10 0.00 -2.14 0.00 0.00 52.86 51.06 1qn1 s ASN 19 Cb 0.00 -2.17 -0.05 0.00 1.28 0.00 0.00 41.25 40.31 1qn1 s ASN 19 CO 0.00 0.07 0.14 -0.76 -2.04 0.00 0.00 177.10 174.51 1qn1 s LEU 20 N 0.67 3.93 -0.07 3.54 1.43 -1.26 -5.06 118.68 121.86 1qn1 s LEU 20 Ca 0.15 0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1qn1 s LEU 20 Cb -0.13 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.06 1qn1 s LEU 20 CO 0.04 0.03 0.16 -0.89 0.23 0.00 0.00 176.35 175.92 1qn1 s THR 21 N 1.29 -0.03 -0.13 5.49 2.01 -1.26 -4.50 115.64 118.52 1qn1 s THR 21 Ca 0.07 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.18 1qn1 s THR 21 Cb -0.14 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 1qn1 s THR 21 CO 0.06 0.04 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.18 1qn1 s VAL 22 N 0.78 2.69 -0.00 3.82 1.01 0.39 -4.72 120.40 124.37 1qn1 s VAL 22 Ca -0.06 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 60.90 1qn1 s VAL 22 Cb -0.07 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1qn1 s VAL 22 CO -0.04 0.53 0.71 -0.69 0.00 0.00 0.00 175.10 175.61 1qn1 s VAL 23 N 0.44 4.87 -0.01 2.92 1.01 -1.26 0.22 120.40 128.59 1qn1 s VAL 23 Ca -0.12 1.49 0.06 0.00 0.00 0.00 0.00 61.98 63.41 1qn1 s VAL 23 Cb -0.16 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1qn1 s VAL 23 CO 0.06 0.34 -0.21 0.12 0.00 0.00 0.00 175.10 175.41 1qn1 s PHE 24 N 0.19 1.83 -0.09 5.22 5.36 -1.20 -4.95 117.98 124.33 1qn1 s PHE 24 Ca 0.37 -0.35 0.01 0.00 -0.96 0.00 0.00 56.93 56.00 1qn1 s PHE 24 Cb -0.19 -1.16 0.02 0.00 -0.34 0.00 0.00 43.02 41.34 1qn1 s PHE 24 CO 0.20 -0.01 -0.12 -0.80 -1.46 0.00 0.00 175.22 173.03 1qn1 s ASN 25 N -0.60 2.12 0.18 6.13 -0.87 -1.26 -2.72 114.94 117.92 1qn1 s ASN 25 Ca 0.08 -0.35 -0.01 0.00 -1.57 0.00 0.00 52.86 51.00 1qn1 s ASN 25 Cb -0.08 -0.93 0.07 0.00 -0.02 0.00 0.00 41.25 40.28 1qn1 s ASN 25 CO -0.00 -0.00 1.44 0.45 -2.57 0.00 0.00 177.10 176.41 1qn1 h HIS 26 N 7.39 0.55 0.00 2.20 3.86 -1.77 -2.93 115.15 124.45 1qn1 h HIS 26 Ca -0.31 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 58.65 1qn1 h HIS 26 Cb 1.17 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 1qn1 h HIS 26 CO 0.48 0.99 -0.05 0.66 0.86 0.00 0.00 177.93 180.87 1qn1 h SER 27 N 0.28 0.00 -0.34 2.45 4.64 -1.92 0.25 113.55 118.91 1qn1 h SER 27 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1qn1 h SER 27 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1qn1 h SER 27 CO 0.12 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.48 1qn1 n THR 28 N -3.94 0.70 -2.52 2.95 -2.24 -1.11 -3.70 114.28 104.42 1qn1 n THR 28 Ca -0.03 -0.53 -0.01 0.00 -2.27 0.00 0.00 64.05 61.20 1qn1 n THR 28 Cb 0.13 0.09 0.04 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.50 -0.32 -0.03 4.78 8.25 0.79 -4.89 115.22 124.31 1qn1 n HIS 29 Ca 0.13 -1.30 -0.09 0.00 -0.26 0.00 0.00 57.72 56.20 1qn1 n HIS 29 Cb 0.41 0.51 -0.14 0.00 1.12 0.00 0.00 29.99 31.89 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 -0.54 0.63 -0.00 -0.41 2.85 -0.65 -3.65 118.16 116.39 1qn1 n LYS 30 Ca -0.09 0.28 0.12 0.00 -1.05 0.00 0.00 58.31 57.57 1qn1 n LYS 30 Cb 0.87 -1.78 0.71 0.00 -0.65 0.00 0.00 35.03 34.18 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 -3.02 0.07 -4.83 -5.58 5.75 -1.26 -4.76 116.55 102.91 1qn1 n ASP 31 Ca -0.18 -1.26 -0.35 0.00 -0.01 0.00 0.00 54.79 52.99 1qn1 n ASP 31 Cb 1.06 -0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 41.08 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 -1.99 5.12 0.14 2.12 1.01 -1.24 -5.03 120.40 120.52 1qn1 s VAL 32 Ca 0.36 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.94 1qn1 s VAL 32 Cb 0.17 -3.28 -0.18 0.00 0.00 0.00 0.00 36.38 33.09 1qn1 s VAL 32 CO 0.28 0.49 0.69 0.29 0.00 0.00 0.00 175.10 176.85 1qn1 n LYS 33 N 1.59 0.02 -0.21 2.72 4.76 -1.26 -4.76 118.16 121.02 1qn1 n LYS 33 Ca -0.16 0.01 0.02 0.00 -2.87 0.00 0.00 58.31 55.31 1qn1 n LYS 33 Cb 0.54 -1.16 0.11 0.00 -1.84 0.00 0.00 35.03 32.68 1qn1 n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qn1 n ASP 35 N 0.16 0.62 -0.08 0.00 5.68 -1.26 -4.53 116.55 117.14 1qn1 n ASP 35 Ca 0.08 -2.03 -0.07 0.00 -0.50 0.00 0.00 54.79 52.27 1qn1 n ASP 35 Cb 0.42 -0.26 -0.15 0.00 -1.14 0.00 0.00 41.12 39.99 1qn1 n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1qn1 n ASP 36 N 0.26 0.44 -0.07 -1.12 5.68 -1.17 -4.51 116.55 116.07 1qn1 n ASP 36 Ca 0.04 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.25 1qn1 n ASP 36 Cb 0.96 1.07 -0.09 0.00 -1.14 0.00 0.00 41.12 41.91 1qn1 n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qn1 s HIS 38 N -2.32 4.22 -0.37 0.00 3.76 -1.26 -4.86 115.29 114.46 1qn1 s HIS 38 Ca -0.12 -2.75 0.01 0.00 -0.15 0.00 0.00 55.06 52.05 1qn1 s HIS 38 Cb 0.04 -3.75 0.38 0.00 1.11 0.00 0.00 32.58 30.37 1qn1 s HIS 38 CO 0.48 -0.92 1.81 -2.39 -0.85 0.00 0.00 174.74 172.88 1qn1 n HIS 39 N 2.64 2.12 -4.58 1.40 1.44 -1.26 -4.54 115.22 112.44 1qn1 n HIS 39 Ca 0.23 -1.87 -0.31 0.00 -2.01 0.00 0.00 57.72 53.76 1qn1 n HIS 39 Cb 0.39 -0.92 -0.12 0.00 0.12 0.00 0.00 29.99 29.46 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 -2.39 2.26 0.44 -1.40 1.11 -1.26 -5.08 119.66 113.35 1qn1 s GLN 40 Ca 0.41 -0.88 -0.21 0.00 0.01 0.00 0.00 55.36 54.69 1qn1 s GLN 40 Cb 0.33 -2.31 -0.10 0.00 -1.01 0.00 0.00 33.01 29.92 1qn1 s GLN 40 CO 0.04 0.56 0.97 -1.25 0.01 0.00 0.00 175.29 175.62 1qn1 s PRO 41 N -1.44 4.14 0.48 2.91 0.04 -1.26 -4.23 135.00 135.64 1qn1 s PRO 41 Ca 0.16 1.18 0.43 0.00 0.04 0.00 0.00 61.00 62.80 1qn1 s PRO 41 Cb -0.11 -2.17 1.49 0.00 0.04 0.00 0.00 34.50 33.75 1qn1 s PRO 41 CO 0.06 -0.11 1.35 0.41 0.04 0.00 0.00 177.00 178.75 1qn1 n GLY 42 N -0.53 -0.85 0.14 0.56 0.00 -1.26 0.22 105.19 103.47 1qn1 n GLY 42 Ca 0.07 0.61 -0.06 0.00 0.00 0.00 0.00 46.02 46.64 1qn1 n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qn1 h ASP 43 N 0.00 -0.26 -0.28 1.61 5.19 -2.05 -3.24 116.42 117.39 1qn1 h ASP 43 Ca 0.81 0.09 -0.23 0.00 -0.62 0.00 0.00 57.03 57.09 1qn1 h ASP 43 Cb 3.24 0.19 -0.38 0.00 0.18 0.00 0.00 39.33 42.56 1qn1 h ASP 43 CO -0.03 -0.09 -1.03 0.29 -3.12 0.00 0.00 179.24 175.25 1qn1 n LYS 44 N -5.24 1.27 0.17 3.56 5.02 0.50 -4.90 118.16 118.54 1qn1 n LYS 44 Ca 0.01 -3.02 -0.15 0.00 -2.02 0.00 0.00 58.31 53.12 1qn1 n LYS 44 Cb 0.18 -1.10 -0.09 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 1.93 -0.74 -0.18 1.97 4.15 0.26 -0.93 115.11 121.57 1qn1 h GLN 45 Ca -0.12 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1qn1 h GLN 45 Cb 1.50 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.36 1qn1 h GLN 45 CO 0.19 -0.49 0.00 0.66 -1.93 0.00 0.00 178.83 177.25 1qn1 n TYR 46 N -5.14 0.23 -1.70 3.99 4.01 -1.26 -4.62 117.16 112.67 1qn1 n TYR 46 Ca -0.09 -0.12 -0.37 0.00 -0.16 0.00 0.00 57.90 57.16 1qn1 n TYR 46 Cb 0.39 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.48 1qn1 n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qn1 n ALA 47 N 0.02 0.92 -1.05 -0.72 0.00 -0.36 -4.86 120.51 114.47 1qn1 n ALA 47 Ca 0.07 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.19 1qn1 n ALA 47 Cb 0.17 -2.27 0.01 0.00 0.00 0.00 0.00 19.45 17.36 1qn1 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qn1 n GLY 48 N 1.01 -3.12 0.14 0.00 0.00 -1.26 -4.89 105.19 97.07 1qn1 n GLY 48 Ca 0.15 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.66 3.21 -0.43 0.00 -2.24 -1.25 -3.21 114.28 106.69 1qn1 n THR 50 Ca -0.26 -1.95 -0.30 0.00 -2.27 0.00 0.00 64.05 59.27 1qn1 n THR 50 Cb 1.03 -0.51 0.28 0.00 -2.10 0.00 0.00 70.33 69.03 1qn1 n THR 50 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qn1 s THR 51 N -3.34 1.32 0.53 4.28 2.01 -1.25 -3.84 115.64 115.35 1qn1 s THR 51 Ca 0.57 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 62.36 1qn1 s THR 51 Cb 0.48 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 1qn1 s THR 51 CO 0.10 0.00 1.23 -0.62 -0.69 0.00 0.00 174.62 174.64 1qn1 s ASP 52 N -3.11 5.62 -0.96 3.53 -1.08 -1.26 -2.01 116.67 117.40 1qn1 s ASP 52 Ca 0.69 2.44 0.00 0.00 -0.52 0.00 0.00 52.55 55.16 1qn1 s ASP 52 Cb -0.14 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 1qn1 s ASP 52 CO 0.59 -1.31 0.00 0.61 0.52 0.00 0.00 175.17 175.58 1qn1 n GLY 53 N 0.52 0.86 0.00 2.66 0.00 -1.26 -4.86 105.19 103.11 1qn1 n GLY 53 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.10 0.00 8.25 -1.20 -4.34 115.22 120.52 1qn1 n HIS 55 Ca 0.00 -2.93 -0.22 0.00 -0.26 0.00 0.00 57.72 54.30 1qn1 n HIS 55 Cb 0.00 -1.07 -0.12 0.00 1.12 0.00 0.00 29.99 29.92 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 0.89 1.99 -4.65 0.41 6.94 -1.04 -3.93 115.26 115.88 1qn1 n ASN 56 Ca 0.31 0.14 -0.61 0.00 -0.02 0.00 0.00 54.58 54.40 1qn1 n ASN 56 Cb 0.34 -0.70 -0.09 0.00 -2.36 0.00 0.00 39.78 36.97 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 -3.71 0.16 -1.71 1.53 5.41 -0.78 -4.64 119.36 115.62 1qn1 n ILE 57 Ca -0.43 -0.05 -0.33 0.00 1.00 0.00 0.00 62.75 62.94 1qn1 n ILE 57 Cb 0.94 -0.94 0.05 0.00 -0.71 0.00 0.00 39.64 38.98 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 5.57 6.81 -4.38 1.39 4.77 -1.26 -0.86 117.00 129.04 1qn1 n LEU 58 Ca 0.33 -4.59 -0.19 0.00 -0.03 0.00 0.00 56.01 51.52 1qn1 n LEU 58 Cb 0.05 -0.82 -0.10 0.00 -2.33 0.00 0.00 43.42 40.22 1qn1 n LEU 58 CO 0.84 1.74 -0.37 -1.81 -1.33 0.00 0.00 177.39 176.47 1qn1 s ASP 59 N -2.20 2.40 -0.14 -1.43 1.01 -1.26 -4.97 116.67 110.08 1qn1 s ASP 59 Ca 0.58 -1.17 -0.08 0.00 0.71 0.00 0.00 52.55 52.59 1qn1 s ASP 59 Cb 0.46 -0.10 -0.06 0.00 1.01 0.00 0.00 42.92 44.23 1qn1 s ASP 59 CO -0.11 -0.37 -0.20 1.17 0.21 0.00 0.00 175.17 175.87 1qn1 n LYS 60 N -0.49 0.33 0.15 8.23 4.81 -1.26 -4.46 118.16 125.47 1qn1 n LYS 60 Ca -0.06 0.14 0.11 0.00 -0.87 0.00 0.00 58.31 57.63 1qn1 n LYS 60 Cb 0.63 -1.05 0.55 0.00 0.02 0.00 0.00 35.03 35.17 1qn1 n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qn1 n ALA 61 N -3.75 1.17 -0.12 3.14 0.00 -1.26 -1.32 120.51 118.37 1qn1 n ALA 61 Ca -0.28 0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 1qn1 n ALA 61 Cb 0.66 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 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 0.00 0.64 0.00 0.00 5.19 -2.00 -3.48 116.42 116.77 1qn1 h ASP 62 Ca 0.00 -0.33 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1qn1 h ASP 62 Cb 0.07 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1qn1 h ASP 62 CO 0.00 0.82 0.00 0.29 -3.12 0.00 0.00 179.24 177.23 1qn1 n LYS 63 N -4.47 0.00 -0.97 3.56 4.76 -0.44 -5.05 118.16 115.55 1qn1 n LYS 63 Ca -0.02 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.54 1qn1 n LYS 63 Cb 0.30 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.43 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 0.86 -5.32 -1.85 4.39 2.88 -1.26 -4.21 113.62 109.10 1qn1 n SER 64 Ca 0.00 0.97 -0.17 0.00 -1.33 0.00 0.00 58.87 58.34 1qn1 n SER 64 Cb 0.00 -3.34 0.08 0.00 -0.75 0.00 0.00 64.21 60.20 1qn1 n SER 64 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1qn1 n VAL 65 N -3.59 2.61 -1.14 2.46 3.14 -1.26 -3.65 118.33 116.90 1qn1 n VAL 65 Ca -0.06 -1.50 0.04 0.00 -2.96 0.00 0.00 64.34 59.86 1qn1 n VAL 65 Cb 0.46 -0.96 0.06 0.00 -1.06 0.00 0.00 33.84 32.35 1qn1 n VAL 65 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1qn1 n ASN 66 N -0.24 1.38 -4.48 6.55 5.03 -1.26 -4.79 115.26 117.45 1qn1 n ASN 66 Ca 0.37 -2.37 -0.43 0.00 0.87 0.00 0.00 54.58 53.02 1qn1 n ASN 66 Cb 0.93 -0.25 -0.10 0.00 -1.02 0.00 0.00 39.78 39.35 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 -1.72 6.13 0.28 6.41 0.01 -1.24 -1.87 113.70 121.69 1qn1 s SER 67 Ca 0.14 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 56.66 1qn1 s SER 67 Cb 0.12 -2.18 0.64 0.00 0.21 0.00 0.00 66.02 64.82 1qn1 s SER 67 CO 0.01 -0.46 1.69 -0.25 0.41 0.00 0.00 173.24 174.65 1qn1 h TRP 68 N 8.64 0.53 -0.53 2.43 -0.00 -1.12 0.47 115.95 126.36 1qn1 h TRP 68 Ca -0.27 0.04 -0.47 0.00 -0.00 0.00 0.00 58.89 58.19 1qn1 h TRP 68 Cb 1.12 -0.10 -0.09 0.00 -0.00 0.00 0.00 29.16 30.09 1qn1 h TRP 68 CO 0.59 -0.06 1.11 0.98 -0.00 0.00 0.00 178.44 181.06 1qn1 n TYR 69 N -5.08 1.38 0.15 2.65 9.36 -1.26 -3.85 117.16 120.51 1qn1 n TYR 69 Ca 0.19 -2.15 0.00 0.00 3.32 0.00 0.00 57.90 59.26 1qn1 n TYR 69 Cb 0.59 -1.74 0.00 0.00 -0.63 0.00 0.00 39.34 37.56 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 2.06 0.00 0.00 2.98 3.00 0.15 -4.74 118.16 121.61 1qn1 n LYS 70 Ca 0.55 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.92 1qn1 n LYS 70 Cb 0.56 0.00 0.32 0.00 0.00 0.00 0.00 35.03 35.91 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 -3.44 0.87 0.02 3.15 0.24 -1.23 0.19 118.33 118.13 1qn1 n VAL 71 Ca 0.00 0.22 -0.20 0.00 -2.04 0.00 0.00 64.34 62.32 1qn1 n VAL 71 Cb 0.00 -0.98 -0.14 0.00 -1.47 0.00 0.00 33.84 31.25 1qn1 n VAL 71 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1qn1 h VAL 72 N 0.00 0.76 -0.25 3.34 2.07 -1.86 -3.36 116.25 116.95 1qn1 h VAL 72 Ca 0.00 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.07 1qn1 h VAL 72 Cb 0.19 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1qn1 h VAL 72 CO 0.00 0.85 0.00 1.41 0.02 0.00 0.00 177.57 179.85 1qn1 n HIS 73 N -3.46 0.75 -1.28 1.57 8.25 -0.81 -3.49 115.22 116.75 1qn1 n HIS 73 Ca -0.27 -0.81 -0.37 0.00 -0.26 0.00 0.00 57.72 56.01 1qn1 n HIS 73 Cb 1.05 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.90 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 -0.39 7.57 -0.12 0.41 8.00 0.51 -4.61 116.55 127.93 1qn1 n ASP 74 Ca 0.18 -2.57 0.26 0.00 0.71 0.00 0.00 54.79 53.38 1qn1 n ASP 74 Cb 0.77 -1.50 0.72 0.00 -0.02 0.00 0.00 41.12 41.09 1qn1 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qn1 h ALA 75 N 5.35 2.69 -0.50 2.24 0.00 -1.87 0.85 119.26 128.02 1qn1 h ALA 75 Ca 0.78 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.77 1qn1 h ALA 75 Cb 0.32 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1qn1 h ALA 75 CO 1.76 -1.00 0.35 -0.22 0.00 0.00 0.00 179.25 180.13 1qn1 h LYS 76 N 0.00 0.22 -1.72 0.00 1.63 -1.96 -3.42 116.57 111.32 1qn1 h LYS 76 Ca 0.37 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.16 1qn1 h LYS 76 Cb 1.57 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.15 1qn1 h LYS 76 CO -0.00 0.15 -0.42 0.41 -3.45 0.00 0.00 179.45 176.13 1qn1 n GLY 77 N -1.56 -3.72 0.00 5.01 0.00 0.30 -5.10 105.19 100.12 1qn1 n GLY 77 Ca 0.08 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.04 4.69 0.33 -0.02 0.00 -1.26 -5.00 105.19 102.89 1qn1 n GLY 78 Ca 0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.88 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 1.00 1.14 -3.82 4.61 0.00 -2.02 -3.42 119.26 116.75 1qn1 h ALA 79 Ca 0.00 -0.05 -0.56 0.00 0.00 0.00 0.00 54.91 54.31 1qn1 h ALA 79 Cb 0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 17.79 17.23 1qn1 h ALA 79 CO 0.00 0.45 -0.83 0.15 0.00 0.00 0.00 179.25 179.02 1qn1 s LYS 80 N -6.11 1.20 0.62 0.00 1.02 -1.26 -5.12 119.74 110.10 1qn1 s LYS 80 Ca -0.13 -1.05 -0.18 0.00 0.02 0.00 0.00 55.97 54.64 1qn1 s LYS 80 Cb 0.17 -1.39 -0.06 0.00 -0.52 0.00 0.00 37.83 36.04 1qn1 s LYS 80 CO 0.80 0.34 0.72 -0.35 -0.92 0.00 0.00 175.35 175.94 1qn1 n PRO 81 N 1.43 0.60 0.00 -1.68 -0.04 -1.26 -4.93 135.00 129.12 1qn1 n PRO 81 Ca -0.19 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1qn1 n PRO 81 Cb 0.54 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.92 0.00 0.00 0.52 -2.24 -1.26 -4.94 114.28 104.44 1qn1 n THR 82 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 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 n ILE 84 N -2.29 0.61 0.00 0.00 5.41 -1.23 -3.07 119.36 118.79 1qn1 n ILE 84 Ca 0.00 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.45 1qn1 n ILE 84 Cb 0.00 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.35 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 -2.29 0.00 -0.32 4.38 3.41 -1.26 -0.84 113.62 116.70 1qn1 n SER 85 Ca 0.05 0.20 0.32 0.00 -0.26 0.00 0.00 58.87 59.18 1qn1 n SER 85 Cb 0.43 -0.11 0.58 0.00 -0.26 0.00 0.00 64.21 64.86 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 -0.32 0.00 0.00 -0.00 -1.65 -1.89 115.15 111.29 1qn1 h HIS 87 Ca 0.84 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 61.20 1qn1 h HIS 87 Cb 2.24 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 29.75 1qn1 h HIS 87 CO -0.01 -0.07 0.00 -0.22 -0.00 0.00 0.00 177.93 177.63 1qn1 h LYS 88 N -0.53 0.00 -0.64 2.45 3.64 0.36 0.49 116.57 122.33 1qn1 h LYS 88 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1qn1 h LYS 88 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1qn1 h LYS 88 CO 0.06 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 173.77 1qn1 n ASP 89 N -2.60 4.92 -3.20 4.20 2.03 0.13 -4.50 116.55 117.52 1qn1 n ASP 89 Ca -0.01 -2.56 -0.23 0.00 0.52 0.00 0.00 54.79 52.51 1qn1 n ASP 89 Cb 0.09 -0.60 -0.07 0.00 -0.72 0.00 0.00 41.12 39.82 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 0.98 0.54 0.00 -0.67 4.01 0.17 -4.87 118.16 118.32 1qn1 n LYS 90 Ca 0.26 -3.03 0.00 0.00 -0.51 0.00 0.00 58.31 55.02 1qn1 n LYS 90 Cb 0.95 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 34.08 1qn1 n LYS 90 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qn1 n ALA 91 N 1.96 0.00 0.00 7.82 0.00 -1.26 -4.91 120.51 124.11 1qn1 n ALA 91 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1qn1 n ALA 91 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1qn1 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qn1 n GLY 92 N -1.01 -0.78 0.24 0.00 0.00 -1.26 -4.10 105.19 98.28 1qn1 n GLY 92 Ca 0.00 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.51 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 1.69 0.00 -0.21 1.61 3.04 -2.01 -3.40 116.42 117.14 1qn1 h ASP 93 Ca 0.00 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.69 1qn1 h ASP 93 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1qn1 h ASP 93 CO 0.00 0.03 0.34 -1.81 -2.04 0.00 0.00 179.24 175.76 1qn1 s ASP 94 N -5.98 3.84 0.60 4.15 1.01 -1.26 -4.66 116.67 114.37 1qn1 s ASP 94 Ca 0.04 -1.17 0.28 0.00 0.71 0.00 0.00 52.55 52.40 1qn1 s ASP 94 Cb 0.07 -2.60 1.15 0.00 1.01 0.00 0.00 42.92 42.56 1qn1 s ASP 94 CO 0.61 -4.34 1.53 0.07 0.21 0.00 0.00 175.17 173.26 1qn1 h LYS 95 N 11.09 0.00 -0.68 8.23 2.10 -1.91 1.31 116.57 136.72 1qn1 h LYS 95 Ca 0.07 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.86 1qn1 h LYS 95 Cb 0.98 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.27 1qn1 h LYS 95 CO 1.07 0.00 0.46 1.49 -2.00 0.00 0.00 179.45 180.47 1qn1 h GLU 96 N 0.00 0.32 -0.54 0.07 4.81 -1.95 0.93 114.58 118.22 1qn1 h GLU 96 Ca 0.39 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1qn1 h GLU 96 Cb 2.27 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.58 1qn1 h GLU 96 CO -0.00 0.21 0.00 -0.11 -0.73 0.00 0.00 179.01 178.38 1qn1 n LEU 97 N -4.46 3.50 -0.10 1.64 0.00 0.45 -4.04 117.00 113.99 1qn1 n LEU 97 Ca 0.13 -1.64 -0.12 0.00 0.00 0.00 0.00 56.01 54.38 1qn1 n LEU 97 Cb 0.52 -0.35 -0.13 0.00 0.00 0.00 0.00 43.42 43.46 1qn1 n LEU 97 CO 0.34 0.82 -1.15 1.17 0.00 0.00 0.00 177.39 178.56 1qn1 n LYS 98 N 1.45 0.87 -0.19 1.96 3.00 0.29 -4.35 118.16 121.19 1qn1 n LYS 98 Ca 0.21 0.05 0.04 0.00 -0.00 0.00 0.00 58.31 58.61 1qn1 n LYS 98 Cb 0.58 -1.46 0.31 0.00 0.00 0.00 0.00 35.03 34.46 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 0.00 0.84 -3.42 1.64 1.57 -0.83 -2.81 116.57 113.54 1qn1 h LYS 99 Ca -0.50 -0.05 -0.73 0.00 -1.87 0.00 0.00 60.65 57.50 1qn1 h LYS 99 Cb 1.99 -0.19 -0.33 0.00 0.08 0.00 0.00 32.23 33.78 1qn1 h LYS 99 CO -0.02 0.55 0.03 0.21 -0.57 0.00 0.00 179.45 179.66 1qn1 s LYS 100 N -5.75 3.48 0.00 3.15 2.20 -1.26 -3.28 119.74 118.28 1qn1 s LYS 100 Ca -0.10 -3.17 0.00 0.00 -0.36 0.00 0.00 55.97 52.34 1qn1 s LYS 100 Cb 0.19 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1qn1 s LYS 100 CO 0.78 -1.25 0.00 -0.11 -0.36 0.00 0.00 175.35 174.40 1qn1 n LEU 101 N 2.59 0.00 -0.01 5.43 7.94 -1.21 -4.85 117.00 126.89 1qn1 n LEU 101 Ca 0.21 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 55.10 1qn1 n LEU 101 Cb 0.38 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.30 1qn1 n LEU 101 CO 0.39 0.00 -0.60 0.35 -1.11 0.00 0.00 177.39 176.41 1qn1 n THR 102 N 0.00 0.18 -0.90 1.96 -2.24 -1.08 -4.80 114.28 107.40 1qn1 n THR 102 Ca 0.00 -0.14 -0.37 0.00 -2.27 0.00 0.00 64.05 61.27 1qn1 n THR 102 Cb 0.00 -0.45 0.07 0.00 -2.10 0.00 0.00 70.33 67.86 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 2.58 -2.84 0.38 3.38 0.00 -1.10 -5.00 105.19 102.59 1qn1 n GLY 103 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.46 3.56 0.00 0.00 2.20 -1.25 -2.94 119.74 120.85 1qn1 s LYS 105 Ca 0.00 -1.10 0.00 0.00 -0.36 0.00 0.00 55.97 54.51 1qn1 s LYS 105 Cb 0.00 -5.26 0.00 0.00 -1.51 0.00 0.00 37.83 31.06 1qn1 s LYS 105 CO 0.00 -2.18 0.00 0.41 -0.36 0.00 0.00 175.35 173.22 1qn1 n GLY 106 N 6.72 1.85 3.36 5.54 0.00 -1.24 -4.94 105.19 116.48 1qn1 n GLY 106 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.14 1qn1 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qn1 s SER 107 N -2.00 2.29 0.60 1.61 1.04 -1.15 -4.48 113.70 111.61 1qn1 s SER 107 Ca 0.00 -1.16 0.28 0.00 0.48 0.00 0.00 55.95 55.56 1qn1 s SER 107 Cb 0.00 -0.08 1.21 0.00 0.10 0.00 0.00 66.02 67.25 1qn1 s SER 107 CO 0.00 -0.38 1.59 0.00 0.98 0.00 0.00 173.24 175.43 1qn1 h ALA 108 N 2.44 2.61 -4.07 5.32 0.00 -1.88 -3.35 119.26 120.34 1qn1 h ALA 108 Ca -0.39 -0.03 -0.69 0.00 0.00 0.00 0.00 54.91 53.81 1qn1 h ALA 108 Cb 1.22 0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.84 1qn1 h ALA 108 CO 0.65 -1.28 -0.83 0.00 0.00 0.00 0.00 179.25 177.79 1qn1 n HIS 110 N 1.60 -2.45 -2.94 0.00 -0.00 -1.26 -4.56 115.22 105.62 1qn1 n HIS 110 Ca -0.16 0.83 -0.40 0.00 -0.00 0.00 0.00 57.72 57.99 1qn1 n HIS 110 Cb 0.52 -3.87 -0.06 0.00 -0.00 0.00 0.00 29.99 26.58 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 -4.44 4.58 0.00 -0.41 0.04 -1.26 -3.70 135.00 129.82 1qn1 s PRO 111 Ca 0.31 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1qn1 s PRO 111 Cb -0.07 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1qn1 s PRO 111 CO 0.78 0.44 0.00 -1.13 0.04 0.00 0.00 177.00 177.14