#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 0.00 -3.90 6.55 -0.08 -1.26 -4.72 116.55 113.14 1qn1 n ASP 2 Ca 0.00 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.10 1qn1 n ASP 2 Cb 0.00 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.30 1qn1 n ASP 2 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1qn1 s VAL 3 N 0.00 0.41 0.14 5.18 0.11 -1.26 -5.12 120.40 119.86 1qn1 s VAL 3 Ca 0.00 -0.11 -0.33 0.00 -2.93 0.00 0.00 61.98 58.61 1qn1 s VAL 3 Cb 0.00 -0.42 -0.17 0.00 -1.53 0.00 0.00 36.38 34.26 1qn1 s VAL 3 CO 0.00 0.17 0.90 -2.65 -3.33 0.00 0.00 175.10 170.19 1qn1 n PRO 4 N 3.67 0.42 0.00 1.54 -0.02 -1.26 -4.94 135.00 134.41 1qn1 n PRO 4 Ca -0.22 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1qn1 n PRO 4 Cb 0.53 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 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 0.91 0.00 -2.48 3.55 0.00 -1.26 -4.64 120.51 116.59 1qn1 n ALA 5 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.38 1qn1 n ALA 5 Cb 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 3.35 0.00 0.00 1.11 -1.26 -4.51 116.67 113.58 1qn1 s ASP 6 Ca 0.00 -1.15 0.00 0.00 0.18 0.00 0.00 52.55 51.58 1qn1 s ASP 6 Cb 0.00 -0.27 0.00 0.00 1.07 0.00 0.00 42.92 43.72 1qn1 s ASP 6 CO 0.00 -0.18 0.00 0.61 1.18 0.00 0.00 175.17 176.78 1qn1 n GLY 7 N -0.67 0.85 3.92 0.21 0.00 -1.26 -5.07 105.19 103.17 1qn1 n GLY 7 Ca -0.05 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 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 3.51 -0.05 4.61 0.00 -1.26 -5.01 121.76 121.58 1qn1 s ALA 8 Ca 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1qn1 s ALA 8 Cb 0.00 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.71 1qn1 s ALA 8 CO 0.00 -0.18 -0.12 -1.59 0.00 0.00 0.00 175.76 173.86 1qn1 s LYS 9 N -4.47 1.47 -0.32 0.00 0.00 -1.26 -2.67 119.74 112.48 1qn1 s LYS 9 Ca 0.45 -0.43 -0.14 0.00 0.00 0.00 0.00 55.97 55.86 1qn1 s LYS 9 Cb -0.10 -1.27 -0.02 0.00 0.00 0.00 0.00 37.83 36.43 1qn1 s LYS 9 CO 0.40 0.11 0.30 0.42 0.00 0.00 0.00 175.35 176.58 1qn1 s ILE 10 N 0.34 5.23 -0.40 3.79 1.01 0.20 -4.91 121.20 126.46 1qn1 s ILE 10 Ca -0.08 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.70 1qn1 s ILE 10 Cb -0.12 -3.72 0.17 0.00 0.01 0.00 0.00 42.46 38.80 1qn1 s ILE 10 CO 0.02 0.03 0.53 -0.62 0.00 0.00 0.00 174.94 174.90 1qn1 s ASP 11 N 1.72 -0.36 -0.22 3.58 2.15 -1.26 -2.92 116.67 119.35 1qn1 s ASP 11 Ca 0.10 -1.24 -0.10 0.00 0.43 0.00 0.00 52.55 51.73 1qn1 s ASP 11 Cb -0.17 1.33 -0.10 0.00 -0.30 0.00 0.00 42.92 43.68 1qn1 s ASP 11 CO 0.11 -0.20 -0.28 0.49 -0.17 0.00 0.00 175.17 175.12 1qn1 n PHE 12 N 4.19 0.00 -1.34 -5.34 3.72 -1.26 -5.00 117.46 112.43 1qn1 n PHE 12 Ca 0.12 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.17 1qn1 n PHE 12 Cb 0.52 -0.81 0.10 0.00 -0.94 0.00 0.00 39.48 38.35 1qn1 n PHE 12 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1qn1 n ILE 13 N -3.94 3.07 -0.96 4.37 5.41 -1.26 -4.90 119.36 121.15 1qn1 n ILE 13 Ca -0.44 -0.33 -0.36 0.00 1.00 0.00 0.00 62.75 62.62 1qn1 n ILE 13 Cb 0.82 -1.26 0.06 0.00 -0.71 0.00 0.00 39.64 38.55 1qn1 n ILE 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qn1 n ALA 14 N -2.71 -5.15 0.00 -1.39 0.00 -1.26 -4.78 120.51 105.22 1qn1 n ALA 14 Ca 0.14 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1qn1 n ALA 14 Cb 0.49 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 3.16 0.51 2.66 0.00 0.00 -1.26 -4.95 105.19 105.30 1qn1 n GLY 15 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 4.09 2.64 -0.02 0.00 -1.26 -3.17 105.19 107.47 1qn1 n GLY 16 Ca 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 46.02 44.50 1qn1 n GLY 16 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1qn1 n GLU 17 N 5.44 0.13 -2.80 1.61 0.28 -1.26 -5.00 120.64 119.04 1qn1 n GLU 17 Ca 0.58 -0.64 -0.10 0.00 -0.16 0.00 0.00 57.16 56.85 1qn1 n GLU 17 Cb 0.34 -0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.25 1qn1 n GLU 17 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1qn1 n LYS 18 N -0.51 -1.59 0.00 3.44 5.02 -1.25 -5.04 118.16 118.23 1qn1 n LYS 18 Ca -0.28 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1qn1 n LYS 18 Cb 0.63 -4.78 0.00 0.00 -0.02 0.00 0.00 35.03 30.86 1qn1 n LYS 18 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1qn1 n ASN 19 N -2.61 0.00 -4.53 4.39 6.94 -1.19 -4.96 115.26 113.29 1qn1 n ASN 19 Ca -0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.09 1qn1 n ASN 19 Cb 0.58 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.96 1qn1 n ASN 19 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1qn1 s LEU 20 N 0.00 3.81 -0.10 -4.53 1.43 -1.26 -5.01 118.68 113.01 1qn1 s LEU 20 Ca 0.00 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 1qn1 s LEU 20 Cb 0.00 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1qn1 s LEU 20 CO 0.00 -1.44 0.14 -0.89 0.23 0.00 0.00 176.35 174.39 1qn1 s THR 21 N 4.55 5.46 -0.12 5.49 2.01 -1.26 -4.86 115.64 126.92 1qn1 s THR 21 Ca 0.33 0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.51 1qn1 s THR 21 Cb -0.11 -3.40 0.01 0.00 0.01 0.00 0.00 72.50 69.00 1qn1 s THR 21 CO 0.19 0.58 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.78 1qn1 s VAL 22 N -1.07 2.05 -0.16 3.82 1.01 -1.15 -4.63 120.40 120.28 1qn1 s VAL 22 Ca 0.17 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 1qn1 s VAL 22 Cb -0.12 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1qn1 s VAL 22 CO 0.06 0.55 0.48 -0.69 0.00 0.00 0.00 175.10 175.50 1qn1 s VAL 23 N 0.61 5.16 0.10 2.92 1.01 -1.26 0.62 120.40 129.57 1qn1 s VAL 23 Ca -0.12 0.92 0.08 0.00 0.00 0.00 0.00 61.98 62.85 1qn1 s VAL 23 Cb -0.17 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1qn1 s VAL 23 CO 0.03 0.26 -0.13 0.12 0.00 0.00 0.00 175.10 175.37 1qn1 s PHE 24 N 1.08 2.65 -0.04 5.22 2.19 -1.09 -4.99 117.98 122.99 1qn1 s PHE 24 Ca 0.24 -0.20 -0.02 0.00 0.33 0.00 0.00 56.93 57.29 1qn1 s PHE 24 Cb -0.15 -1.40 0.03 0.00 -1.31 0.00 0.00 43.02 40.18 1qn1 s PHE 24 CO 0.10 0.40 0.04 -0.80 1.83 0.00 0.00 175.22 176.79 1qn1 s ASN 25 N -2.12 1.10 0.00 6.13 -0.87 -1.26 -3.98 114.94 113.93 1qn1 s ASN 25 Ca 0.20 0.03 0.16 0.00 -1.57 0.00 0.00 52.86 51.67 1qn1 s ASN 25 Cb -0.11 -0.21 0.72 0.00 -0.02 0.00 0.00 41.25 41.63 1qn1 s ASN 25 CO 0.12 -0.22 1.48 1.41 -2.57 0.00 0.00 177.10 177.32 1qn1 n HIS 26 N 5.09 0.00 0.97 2.20 8.25 -1.26 -1.57 115.22 128.90 1qn1 n HIS 26 Ca -0.08 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.51 1qn1 n HIS 26 Cb 0.50 -0.42 0.32 0.00 1.12 0.00 0.00 29.99 31.51 1qn1 n HIS 26 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1qn1 n SER 27 N -1.42 0.42 -1.25 0.41 3.41 -1.26 -3.37 113.62 110.56 1qn1 n SER 27 Ca 0.05 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1qn1 n SER 27 Cb 0.16 0.10 0.25 0.00 -0.26 0.00 0.00 64.21 64.46 1qn1 n SER 27 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qn1 n THR 28 N -1.55 2.54 -2.30 6.66 -2.24 -0.61 -4.38 114.28 112.41 1qn1 n THR 28 Ca 0.06 -2.10 -0.04 0.00 -2.27 0.00 0.00 64.05 59.69 1qn1 n THR 28 Cb 0.34 -0.31 0.03 0.00 -2.10 0.00 0.00 70.33 68.30 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 -0.66 -0.93 0.05 4.78 8.25 -1.23 -4.94 115.22 120.54 1qn1 n HIS 29 Ca 0.31 -0.99 -0.03 0.00 -0.26 0.00 0.00 57.72 56.75 1qn1 n HIS 29 Cb 1.07 0.97 -0.08 0.00 1.12 0.00 0.00 29.99 33.07 1qn1 n HIS 29 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1qn1 h LYS 30 N 0.45 0.00 -0.06 -0.41 2.10 -1.76 -3.19 116.57 113.70 1qn1 h LYS 30 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1qn1 h LYS 30 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1qn1 h LYS 30 CO -0.21 0.52 0.00 -0.40 -2.00 0.00 0.00 179.45 177.36 1qn1 n ASP 31 N -3.09 0.47 -4.65 7.07 5.75 -1.26 -4.76 116.55 116.08 1qn1 n ASP 31 Ca -0.07 -1.66 -0.35 0.00 -0.01 0.00 0.00 54.79 52.71 1qn1 n ASP 31 Cb 0.89 -0.04 -0.10 0.00 -1.03 0.00 0.00 41.12 40.84 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 -1.92 4.37 0.05 2.12 1.01 -1.21 -5.04 120.40 119.79 1qn1 s VAL 32 Ca 0.22 -0.21 -0.36 0.00 0.00 0.00 0.00 61.98 61.62 1qn1 s VAL 32 Cb 0.11 -2.87 -0.19 0.00 0.00 0.00 0.00 36.38 33.42 1qn1 s VAL 32 CO 0.17 0.57 0.91 0.29 0.00 0.00 0.00 175.10 177.04 1qn1 n LYS 33 N 2.57 0.00 0.00 2.72 4.01 -1.26 -4.74 118.16 121.46 1qn1 n LYS 33 Ca -0.18 0.00 0.09 0.00 -0.51 0.00 0.00 58.31 57.71 1qn1 n LYS 33 Cb 0.53 -1.35 0.46 0.00 -0.51 0.00 0.00 35.03 34.16 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 -1.28 2.56 0.03 0.00 5.75 -1.26 -3.91 116.55 118.44 1qn1 n ASP 35 Ca 0.09 -2.32 -0.07 0.00 -0.01 0.00 0.00 54.79 52.48 1qn1 n ASP 35 Cb 0.15 -0.21 -0.13 0.00 -1.03 0.00 0.00 41.12 39.90 1qn1 n ASP 35 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1qn1 h ASP 36 N 0.80 0.00 0.00 -1.12 1.82 -1.50 -3.38 116.42 113.04 1qn1 h ASP 36 Ca 0.00 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.41 1qn1 h ASP 36 Cb 0.77 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.74 1qn1 h ASP 36 CO 0.03 1.00 -1.87 0.00 -1.61 0.00 0.00 179.24 176.79 1qn1 s HIS 38 N -2.30 3.17 -0.40 0.00 3.76 -1.25 -4.86 115.29 113.40 1qn1 s HIS 38 Ca -0.21 -1.29 0.05 0.00 -0.15 0.00 0.00 55.06 53.47 1qn1 s HIS 38 Cb 0.05 -4.10 0.61 0.00 1.11 0.00 0.00 32.58 30.25 1qn1 s HIS 38 CO 0.35 -1.34 1.76 -2.39 -0.85 0.00 0.00 174.74 172.27 1qn1 n HIS 39 N 6.05 2.41 -3.44 1.40 1.44 -1.26 -4.30 115.22 117.51 1qn1 n HIS 39 Ca 0.08 -1.82 -0.38 0.00 -2.01 0.00 0.00 57.72 53.59 1qn1 n HIS 39 Cb 0.46 -0.81 -0.06 0.00 0.12 0.00 0.00 29.99 29.70 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 -3.31 4.00 0.42 -1.40 1.11 -1.26 -5.08 119.66 114.14 1qn1 s GLN 40 Ca 0.53 0.49 -0.09 0.00 0.01 0.00 0.00 55.36 56.30 1qn1 s GLN 40 Cb 0.46 -3.23 -0.06 0.00 -1.01 0.00 0.00 33.01 29.17 1qn1 s GLN 40 CO 0.07 0.66 0.77 -1.25 0.01 0.00 0.00 175.29 175.55 1qn1 s PRO 41 N -1.01 3.72 2.00 2.91 0.04 -1.26 -4.26 135.00 137.14 1qn1 s PRO 41 Ca 0.25 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1qn1 s PRO 41 Cb -0.17 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1qn1 s PRO 41 CO 0.15 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.51 1qn1 n GLY 42 N -1.54 -1.13 0.63 0.56 0.00 -1.26 -3.59 105.19 98.86 1qn1 n GLY 42 Ca 0.02 -1.23 0.04 0.00 0.00 0.00 0.00 46.02 44.85 1qn1 n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qn1 n ASP 43 N -0.54 1.77 -1.30 1.61 8.00 -1.26 -3.52 116.55 121.32 1qn1 n ASP 43 Ca 0.00 -2.08 0.07 0.00 0.71 0.00 0.00 54.79 53.49 1qn1 n ASP 43 Cb 0.00 -0.27 0.28 0.00 -0.02 0.00 0.00 41.12 41.10 1qn1 n ASP 43 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qn1 n LYS 44 N 0.29 3.14 0.27 -1.24 4.76 -1.24 -4.32 118.16 119.83 1qn1 n LYS 44 Ca 0.10 -2.20 0.16 0.00 -2.87 0.00 0.00 58.31 53.50 1qn1 n LYS 44 Cb 0.32 -1.77 0.77 0.00 -1.84 0.00 0.00 35.03 32.51 1qn1 n LYS 44 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1qn1 h GLN 45 N 3.14 0.00 -0.50 1.97 4.15 -1.73 1.43 115.11 123.56 1qn1 h GLN 45 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1qn1 h GLN 45 Cb 1.19 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.85 1qn1 h GLN 45 CO 0.19 0.00 0.05 0.66 -1.93 0.00 0.00 178.83 177.80 1qn1 n TYR 46 N -3.09 1.76 -2.79 3.99 4.01 -1.26 -4.63 117.16 115.16 1qn1 n TYR 46 Ca 0.01 -0.91 -0.37 0.00 -0.16 0.00 0.00 57.90 56.47 1qn1 n TYR 46 Cb 0.47 -0.49 -0.06 0.00 -0.31 0.00 0.00 39.34 38.95 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 -2.86 3.22 0.69 -0.72 0.00 0.49 -4.99 121.76 117.60 1qn1 s ALA 47 Ca 0.51 0.52 -0.17 0.00 0.00 0.00 0.00 51.96 52.82 1qn1 s ALA 47 Cb 0.40 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 20.25 1qn1 s ALA 47 CO 0.13 0.18 0.09 0.41 0.00 0.00 0.00 175.76 176.56 1qn1 n GLY 48 N 0.63 -2.62 0.14 0.00 0.00 -1.26 -4.91 105.19 97.16 1qn1 n GLY 48 Ca 0.02 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.51 2.62 -3.33 0.00 -2.24 -1.23 -1.05 114.28 105.54 1qn1 n THR 50 Ca -0.26 -1.40 -0.27 0.00 -2.27 0.00 0.00 64.05 59.84 1qn1 n THR 50 Cb 1.06 -1.55 -0.02 0.00 -2.10 0.00 0.00 70.33 67.72 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 -0.88 5.06 0.02 4.28 2.01 -1.26 -4.43 115.64 120.45 1qn1 s THR 51 Ca 0.30 -0.14 -0.36 0.00 0.31 0.00 0.00 61.69 61.81 1qn1 s THR 51 Cb 0.19 -3.78 -0.18 0.00 0.01 0.00 0.00 72.50 68.73 1qn1 s THR 51 CO -0.03 -0.42 0.93 -0.67 -0.69 0.00 0.00 174.62 173.73 1qn1 n ASP 52 N -1.28 -0.16 -3.39 3.53 2.03 -1.26 -0.58 116.55 115.44 1qn1 n ASP 52 Ca -0.03 1.08 -0.17 0.00 0.52 0.00 0.00 54.79 56.19 1qn1 n ASP 52 Cb 0.55 -0.86 0.09 0.00 -0.72 0.00 0.00 41.12 40.17 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 1.46 -0.36 0.00 0.27 0.00 -1.26 -4.95 105.19 100.35 1qn1 n GLY 53 Ca 0.18 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 2.65 -0.05 0.00 8.25 -0.22 -4.34 115.22 121.52 1qn1 n HIS 55 Ca 0.00 -2.62 -0.20 0.00 -0.26 0.00 0.00 57.72 54.65 1qn1 n HIS 55 Cb 0.00 -1.19 -0.13 0.00 1.12 0.00 0.00 29.99 29.79 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 0.34 2.02 -4.57 0.41 2.85 -1.13 -3.56 115.26 111.62 1qn1 n ASN 56 Ca 0.40 0.08 -0.58 0.00 -0.11 0.00 0.00 54.58 54.37 1qn1 n ASN 56 Cb 0.29 -0.65 -0.08 0.00 1.24 0.00 0.00 39.78 40.57 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 -3.38 0.18 -1.68 -1.44 5.41 -0.95 -4.75 119.36 112.75 1qn1 n ILE 57 Ca -0.37 -0.09 -0.33 0.00 1.00 0.00 0.00 62.75 62.97 1qn1 n ILE 57 Cb 1.03 -1.10 0.05 0.00 -0.71 0.00 0.00 39.64 38.92 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 6.64 6.83 -3.71 1.39 4.77 -1.26 -1.88 117.00 129.77 1qn1 n LEU 58 Ca 0.36 -4.57 -0.12 0.00 -0.03 0.00 0.00 56.01 51.65 1qn1 n LEU 58 Cb 0.10 -0.81 -0.12 0.00 -2.33 0.00 0.00 43.42 40.25 1qn1 n LEU 58 CO 0.82 1.73 -0.07 -0.62 -1.33 0.00 0.00 177.39 177.92 1qn1 s ASP 59 N -2.22 -0.31 0.27 -1.43 2.15 -1.26 -4.87 116.67 109.00 1qn1 s ASP 59 Ca 0.58 0.65 0.26 0.00 0.43 0.00 0.00 52.55 54.47 1qn1 s ASP 59 Cb 0.47 0.55 0.82 0.00 -0.30 0.00 0.00 42.92 44.45 1qn1 s ASP 59 CO -0.09 -0.18 1.75 0.07 -0.17 0.00 0.00 175.17 176.55 1qn1 h LYS 60 N 7.25 0.00 0.00 4.34 2.10 -1.90 -3.01 116.57 125.34 1qn1 h LYS 60 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1qn1 h LYS 60 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1qn1 h LYS 60 CO 0.33 0.00 0.11 0.00 -2.00 0.00 0.00 179.45 177.89 1qn1 h ALA 61 N 2.36 1.10 -3.22 0.07 0.00 -1.99 -3.35 119.26 114.23 1qn1 h ALA 61 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1qn1 h ALA 61 Cb 0.68 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.15 1qn1 h ALA 61 CO 0.00 -0.10 -0.76 -0.51 0.00 0.00 0.00 179.25 177.88 1qn1 s ASP 62 N -4.49 4.16 0.00 0.00 1.11 -1.14 -5.10 116.67 111.21 1qn1 s ASP 62 Ca -0.04 -0.79 0.00 0.00 0.18 0.00 0.00 52.55 51.90 1qn1 s ASP 62 Cb 0.09 -1.65 0.00 0.00 1.07 0.00 0.00 42.92 42.43 1qn1 s ASP 62 CO 0.29 -0.10 0.00 0.29 1.18 0.00 0.00 175.17 176.83 1qn1 n LYS 63 N 4.67 2.73 -0.89 8.23 5.02 -1.26 -4.70 118.16 131.96 1qn1 n LYS 63 Ca -0.17 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.23 1qn1 n LYS 63 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.43 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 -5.02 -1.87 4.39 2.88 -1.26 -4.34 113.62 108.41 1qn1 n SER 64 Ca 0.00 0.80 -0.18 0.00 -1.33 0.00 0.00 58.87 58.16 1qn1 n SER 64 Cb 0.00 -2.99 0.08 0.00 -0.75 0.00 0.00 64.21 60.55 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 -3.51 2.66 -0.00 2.46 0.31 -1.26 -3.73 118.33 115.26 1qn1 n VAL 65 Ca -0.05 -1.56 0.03 0.00 -0.01 0.00 0.00 64.34 62.75 1qn1 n VAL 65 Cb 0.42 -0.99 0.06 0.00 -0.91 0.00 0.00 33.84 32.42 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 -0.23 2.19 -4.48 4.52 3.02 -1.26 -4.68 115.26 114.35 1qn1 n ASN 66 Ca 0.37 -1.79 -0.43 0.00 -0.03 0.00 0.00 54.58 52.70 1qn1 n ASN 66 Cb 0.90 -0.08 -0.09 0.00 -0.61 0.00 0.00 39.78 39.90 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 -0.85 6.19 0.39 6.41 0.01 -1.24 -2.24 113.70 122.36 1qn1 s SER 67 Ca 0.10 -0.72 0.18 0.00 1.31 0.00 0.00 55.95 56.82 1qn1 s SER 67 Cb 0.06 -2.22 1.12 0.00 0.21 0.00 0.00 66.02 65.19 1qn1 s SER 67 CO 0.08 -0.59 1.73 -0.25 0.41 0.00 0.00 173.24 174.61 1qn1 h TRP 68 N 8.74 0.72 -1.14 2.43 -0.00 -1.50 0.12 115.95 125.31 1qn1 h TRP 68 Ca -0.27 0.03 -0.63 0.00 -0.00 0.00 0.00 58.89 58.02 1qn1 h TRP 68 Cb 1.11 -0.20 -0.15 0.00 -0.00 0.00 0.00 29.16 29.92 1qn1 h TRP 68 CO 0.62 -0.01 1.46 0.98 -0.00 0.00 0.00 178.44 181.49 1qn1 n TYR 69 N -4.73 2.14 0.14 2.65 9.36 -1.26 -4.00 117.16 121.46 1qn1 n TYR 69 Ca 0.28 -2.41 0.00 0.00 3.32 0.00 0.00 57.90 59.09 1qn1 n TYR 69 Cb 0.96 -1.61 0.00 0.00 -0.63 0.00 0.00 39.34 38.06 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 1.29 0.00 0.00 2.98 3.00 0.41 -4.74 118.16 121.10 1qn1 n LYS 70 Ca 0.56 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.97 1qn1 n LYS 70 Cb 0.39 0.00 0.56 0.00 0.00 0.00 0.00 35.03 35.98 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 -3.31 0.21 -0.06 3.15 0.24 -1.24 0.14 118.33 117.46 1qn1 n VAL 71 Ca 0.00 0.05 -0.18 0.00 -2.04 0.00 0.00 64.34 62.17 1qn1 n VAL 71 Cb 0.00 -0.72 -0.13 0.00 -1.47 0.00 0.00 33.84 31.52 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 -1.15 1.61 -0.71 3.34 0.31 -1.26 -4.07 118.33 116.40 1qn1 n VAL 72 Ca 0.12 -0.65 0.07 0.00 -0.01 0.00 0.00 64.34 63.88 1qn1 n VAL 72 Cb 0.12 -1.43 0.22 0.00 -0.91 0.00 0.00 33.84 31.84 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 -3.29 0.74 -1.96 3.52 8.25 -0.99 -3.86 115.22 117.64 1qn1 n HIS 73 Ca -0.36 -0.75 -0.42 0.00 -0.26 0.00 0.00 57.72 55.92 1qn1 n HIS 73 Cb 1.03 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.93 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 -0.21 4.19 0.28 0.41 8.00 0.37 -4.68 116.55 124.90 1qn1 n ASP 74 Ca 0.18 -2.88 0.16 0.00 0.71 0.00 0.00 54.79 52.96 1qn1 n ASP 74 Cb 0.72 -1.67 0.91 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 6.33 1.57 -0.32 2.24 0.00 -1.88 -0.84 119.26 126.36 1qn1 h ALA 75 Ca 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1qn1 h ALA 75 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1qn1 h ALA 75 CO 1.78 -0.08 0.20 -0.22 0.00 0.00 0.00 179.25 180.93 1qn1 h LYS 76 N 0.00 0.43 0.00 0.00 3.64 -1.96 -3.39 116.57 115.29 1qn1 h LYS 76 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1qn1 h LYS 76 Cb 0.14 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1qn1 h LYS 76 CO -0.00 0.31 0.00 0.41 -2.27 0.00 0.00 179.45 177.90 1qn1 n GLY 77 N -1.11 -1.64 0.00 5.01 0.00 -0.32 -5.05 105.19 102.07 1qn1 n GLY 77 Ca -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 0.12 4.45 0.26 -0.02 0.00 -1.26 -4.94 105.19 103.80 1qn1 n GLY 78 Ca 0.00 -1.71 0.16 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 0.57 1.05 -2.87 4.61 0.00 -2.03 -3.41 119.26 117.19 1qn1 h ALA 79 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1qn1 h ALA 79 Cb 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.57 1qn1 h ALA 79 CO 0.00 -0.05 -0.46 0.21 0.00 0.00 0.00 179.25 178.95 1qn1 s LYS 80 N -3.84 0.43 0.82 0.00 2.20 -1.26 -5.15 119.74 112.94 1qn1 s LYS 80 Ca -0.04 -0.18 -0.14 0.00 -0.36 0.00 0.00 55.97 55.26 1qn1 s LYS 80 Cb 0.09 0.19 0.03 0.00 -1.51 0.00 0.00 37.83 36.63 1qn1 s LYS 80 CO 0.29 -0.10 0.77 -0.35 -0.36 0.00 0.00 175.35 175.60 1qn1 n PRO 81 N 1.87 0.07 0.00 4.03 -0.04 -1.26 -4.87 135.00 134.80 1qn1 n PRO 81 Ca -0.20 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1qn1 n PRO 81 Cb 0.56 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 -3.12 0.00 0.00 0.52 -2.24 -1.26 -4.91 114.28 103.26 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 0.76 0.00 0.00 2.04 -1.86 -3.13 117.51 115.32 1qn1 h ILE 84 Ca 0.00 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 63.76 1qn1 h ILE 84 Cb 0.00 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1qn1 h ILE 84 CO 0.00 0.43 0.00 -1.54 0.00 0.00 0.00 178.15 177.04 1qn1 n SER 85 N -3.17 0.00 -0.36 1.72 3.41 -1.26 0.60 113.62 114.57 1qn1 n SER 85 Ca 0.01 0.51 0.03 0.00 -0.26 0.00 0.00 58.87 59.16 1qn1 n SER 85 Cb 0.73 -0.13 0.10 0.00 -0.26 0.00 0.00 64.21 64.65 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 -1.10 -0.30 0.00 -0.00 -1.60 0.19 115.15 112.34 1qn1 h HIS 87 Ca 0.43 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.91 1qn1 h HIS 87 Cb 0.67 0.47 -0.01 0.00 -0.00 0.00 0.00 27.41 28.54 1qn1 h HIS 87 CO -0.79 -0.49 0.26 -0.22 -0.00 0.00 0.00 177.93 176.69 1qn1 h LYS 88 N -0.60 0.00 -0.21 2.45 3.11 0.47 1.43 116.57 123.22 1qn1 h LYS 88 Ca 0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1qn1 h LYS 88 Cb 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 1qn1 h LYS 88 CO -0.26 0.00 0.00 -3.47 -2.81 0.00 0.00 179.45 172.91 1qn1 n ASP 89 N -4.12 1.44 -3.23 4.20 2.03 0.17 -4.12 116.55 112.93 1qn1 n ASP 89 Ca 0.04 -1.82 -0.24 0.00 0.52 0.00 0.00 54.79 53.29 1qn1 n ASP 89 Cb 0.42 -0.14 -0.07 0.00 -0.72 0.00 0.00 41.12 40.61 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 0.22 1.03 0.01 -0.67 4.76 0.49 -4.83 118.16 119.17 1qn1 n LYS 90 Ca 0.13 -3.47 0.00 0.00 -2.87 0.00 0.00 58.31 52.10 1qn1 n LYS 90 Cb 0.26 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 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 1.28 0.00 0.00 7.82 0.00 -1.24 -4.87 120.51 123.50 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 0.51 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 -1.07 -1.21 0.21 0.00 0.00 -1.26 -4.07 105.19 97.79 1qn1 n GLY 92 Ca 0.00 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 44.52 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 1.17 0.00 -0.20 1.61 3.04 -2.01 -3.41 116.42 116.62 1qn1 h ASP 93 Ca 0.00 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.75 1qn1 h ASP 93 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1qn1 h ASP 93 CO 0.00 0.00 0.11 -1.81 -2.04 0.00 0.00 179.24 175.50 1qn1 s ASP 94 N -5.54 3.63 0.62 4.15 1.01 -1.26 -4.66 116.67 114.62 1qn1 s ASP 94 Ca 0.05 -0.76 0.24 0.00 0.71 0.00 0.00 52.55 52.79 1qn1 s ASP 94 Cb 0.08 -2.59 1.17 0.00 1.01 0.00 0.00 42.92 42.60 1qn1 s ASP 94 CO 0.58 -4.46 1.63 0.07 0.21 0.00 0.00 175.17 173.20 1qn1 h LYS 95 N 11.78 0.00 -0.65 8.23 2.10 -1.91 0.89 116.57 137.00 1qn1 h LYS 95 Ca 0.02 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.75 1qn1 h LYS 95 Cb 1.00 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.28 1qn1 h LYS 95 CO 1.02 0.00 0.43 0.93 -2.00 0.00 0.00 179.45 179.84 1qn1 h GLU 96 N 0.00 0.55 -0.56 0.07 5.08 -1.95 0.44 114.58 118.21 1qn1 h GLU 96 Ca 0.20 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1qn1 h GLU 96 Cb 1.58 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1qn1 h GLU 96 CO -0.00 0.36 0.00 -0.11 -1.00 0.00 0.00 179.01 178.26 1qn1 n LEU 97 N -4.48 3.66 -0.10 1.33 0.00 0.31 -4.05 117.00 113.67 1qn1 n LEU 97 Ca 0.10 -1.71 -0.11 0.00 0.00 0.00 0.00 56.01 54.29 1qn1 n LEU 97 Cb 0.31 -0.37 -0.14 0.00 0.00 0.00 0.00 43.42 43.21 1qn1 n LEU 97 CO 0.34 0.86 -1.16 1.17 0.00 0.00 0.00 177.39 178.59 1qn1 n LYS 98 N 1.55 0.82 -0.09 1.96 3.00 0.12 -4.30 118.16 121.22 1qn1 n LYS 98 Ca 0.22 0.03 0.03 0.00 -0.00 0.00 0.00 58.31 58.59 1qn1 n LYS 98 Cb 0.61 -1.49 0.36 0.00 0.00 0.00 0.00 35.03 34.51 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 0.70 -3.46 1.64 1.57 -0.87 -2.55 116.57 113.61 1qn1 h LYS 99 Ca -0.53 -0.04 -0.69 0.00 -1.87 0.00 0.00 60.65 57.52 1qn1 h LYS 99 Cb 2.10 -0.16 -0.36 0.00 0.08 0.00 0.00 32.23 33.90 1qn1 h LYS 99 CO 0.00 0.47 -0.30 0.21 -0.57 0.00 0.00 179.45 179.25 1qn1 s LYS 100 N -5.63 2.76 0.00 3.15 2.20 -1.26 -3.30 119.74 117.66 1qn1 s LYS 100 Ca -0.09 -2.81 0.00 0.00 -0.36 0.00 0.00 55.97 52.71 1qn1 s LYS 100 Cb 0.18 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1qn1 s LYS 100 CO 0.75 -1.21 0.00 1.28 -0.36 0.00 0.00 175.35 175.82 1qn1 n LEU 101 N 3.04 0.00 0.00 5.43 4.77 -1.23 -4.88 117.00 124.13 1qn1 n LEU 101 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1qn1 n LEU 101 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1qn1 n LEU 101 CO 0.34 0.00 -0.08 0.35 -1.33 0.00 0.00 177.39 176.67 1qn1 n THR 102 N 0.00 0.00 -1.00 -5.08 -2.24 -1.02 -4.75 114.28 100.20 1qn1 n THR 102 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1qn1 n THR 102 Cb 0.00 -0.39 0.04 0.00 -2.10 0.00 0.00 70.33 67.88 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 1.76 -4.26 0.12 3.38 0.00 -0.99 -4.98 105.19 100.22 1qn1 n GLY 103 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.43 3.08 0.00 0.00 2.20 -1.25 -2.45 119.74 120.89 1qn1 s LYS 105 Ca 0.00 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1qn1 s LYS 105 Cb 0.00 -4.93 0.00 0.00 -1.51 0.00 0.00 37.83 31.39 1qn1 s LYS 105 CO 0.00 -2.61 0.00 0.41 -0.36 0.00 0.00 175.35 172.79 1qn1 n GLY 106 N 6.44 1.93 3.23 5.54 0.00 -1.25 -4.97 105.19 116.11 1qn1 n GLY 106 Ca 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 1.76 0.58 1.61 1.04 -1.03 -4.47 113.70 111.19 1qn1 s SER 107 Ca 0.00 -0.92 0.35 0.00 0.48 0.00 0.00 55.95 55.87 1qn1 s SER 107 Cb 0.00 -0.02 1.34 0.00 0.10 0.00 0.00 66.02 67.44 1qn1 s SER 107 CO 0.00 -0.27 1.56 0.00 0.98 0.00 0.00 173.24 175.51 1qn1 h ALA 108 N 3.14 3.12 -3.72 5.32 0.00 -1.85 -3.33 119.26 121.93 1qn1 h ALA 108 Ca -0.37 -0.04 -0.69 0.00 0.00 0.00 0.00 54.91 53.81 1qn1 h ALA 108 Cb 1.19 0.09 -0.20 0.00 0.00 0.00 0.00 17.79 18.88 1qn1 h ALA 108 CO 0.58 -1.73 -0.71 0.00 0.00 0.00 0.00 179.25 177.39 1qn1 n HIS 110 N 2.27 -2.62 -3.18 0.00 -0.00 -1.26 -4.53 115.22 105.91 1qn1 n HIS 110 Ca -0.18 0.95 -0.39 0.00 -0.00 0.00 0.00 57.72 58.11 1qn1 n HIS 110 Cb 0.53 -3.84 -0.06 0.00 -0.00 0.00 0.00 29.99 26.62 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 -3.92 4.32 0.00 -0.41 0.04 -1.25 -3.80 135.00 129.98 1qn1 s PRO 111 Ca 0.15 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1qn1 s PRO 111 Cb -0.03 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1qn1 s PRO 111 CO 0.78 0.58 0.00 0.45 0.04 0.00 0.00 177.00 178.86