#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfq s GLN 2 N 0.00 3.57 -0.15 2.12 -2.07 -1.26 -3.91 119.66 117.96 2hfq s GLN 2 Ca 0.00 -0.58 -0.28 0.00 -1.82 0.00 0.00 55.36 52.68 2hfq s GLN 2 Cb 0.00 -3.69 -0.01 0.00 -1.09 0.00 0.00 33.01 28.22 2hfq s GLN 2 CO 0.00 -0.37 0.94 0.96 -1.32 0.00 0.00 175.29 175.50 2hfq s ILE 3 N 1.70 4.81 -0.43 3.63 -4.36 -1.13 -4.70 121.20 120.72 2hfq s ILE 3 Ca 0.06 1.87 -0.22 0.00 -0.26 0.00 0.00 60.65 62.10 2hfq s ILE 3 Cb -0.17 -4.24 0.02 0.00 1.25 0.00 0.00 42.46 39.32 2hfq s ILE 3 CO 0.09 -0.01 0.73 -1.00 0.24 0.00 0.00 174.94 174.99 2hfq s HIS 4 N 2.22 3.04 -0.58 1.37 3.76 -0.00 -2.72 115.29 122.38 2hfq s HIS 4 Ca 0.44 0.14 -0.25 0.00 -0.15 0.00 0.00 55.06 55.24 2hfq s HIS 4 Cb -0.17 -3.50 0.04 0.00 1.11 0.00 0.00 32.58 30.06 2hfq s HIS 4 CO 0.14 -0.90 1.00 0.08 -0.85 0.00 0.00 174.74 174.21 2hfq s VAL 5 N 3.08 4.29 -0.55 -0.90 1.01 -0.23 -2.58 120.40 124.51 2hfq s VAL 5 Ca 0.27 0.29 -0.15 0.00 0.00 0.00 0.00 61.98 62.39 2hfq s VAL 5 Cb -0.13 -4.61 0.14 0.00 0.00 0.00 0.00 36.38 31.78 2hfq s VAL 5 CO 0.20 -1.24 0.50 -0.31 0.00 0.00 0.00 175.10 174.26 2hfq s TYR 6 N 4.21 3.31 -0.27 5.22 2.02 -0.66 -0.80 117.35 130.38 2hfq s TYR 6 Ca 0.31 -1.42 -0.29 0.00 -0.37 0.00 0.00 57.07 55.30 2hfq s TYR 6 Cb -0.12 -3.76 -0.03 0.00 -0.40 0.00 0.00 41.96 37.65 2hfq s TYR 6 CO 0.19 -1.01 1.78 0.34 -1.57 0.00 0.00 175.55 175.27 2hfq s ASP 7 N 3.36 6.03 -0.16 2.29 2.15 0.61 -0.25 116.67 130.70 2hfq s ASP 7 Ca 0.05 1.51 -0.04 0.00 0.43 0.00 0.00 52.55 54.50 2hfq s ASP 7 Cb -0.28 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.79 2hfq s ASP 7 CO 0.02 -1.56 -0.04 -0.89 -0.17 0.00 0.00 175.17 172.52 2hfq s THR 8 N 6.37 3.82 -0.38 1.71 2.01 0.13 -1.33 115.64 127.96 2hfq s THR 8 Ca 0.79 -0.38 -0.14 0.00 0.31 0.00 0.00 61.69 62.27 2hfq s THR 8 Cb -0.25 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.59 2hfq s THR 8 CO 0.33 0.49 0.27 -0.31 -0.69 0.00 0.00 174.62 174.71 2hfq s TYR 9 N 0.42 3.24 -0.27 4.92 2.02 0.46 -2.24 117.35 125.90 2hfq s TYR 9 Ca -0.04 -0.48 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 2hfq s TYR 9 Cb -0.14 -2.54 0.06 0.00 -0.40 0.00 0.00 41.96 38.93 2hfq s TYR 9 CO 0.03 -0.52 -0.08 0.08 -1.57 0.00 0.00 175.55 173.49 2hfq s VAL 10 N 1.69 2.34 -0.58 0.71 1.01 -0.29 -4.73 120.40 120.54 2hfq s VAL 10 Ca 0.05 -1.62 -0.25 0.00 0.00 0.00 0.00 61.98 60.16 2hfq s VAL 10 Cb -0.18 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.85 2hfq s VAL 10 CO 0.10 -0.07 1.02 -0.54 0.00 0.00 0.00 175.10 175.61 2hfq s LYS 11 N 1.12 3.33 0.47 2.72 1.02 -1.26 0.55 119.74 127.69 2hfq s LYS 11 Ca -0.07 -0.22 -0.14 0.00 0.02 0.00 0.00 55.97 55.55 2hfq s LYS 11 Cb -0.20 -4.08 -0.07 0.00 -0.52 0.00 0.00 37.83 32.96 2hfq s LYS 11 CO -0.04 -1.62 0.90 0.00 -0.92 0.00 0.00 175.35 173.67 2hfq s ALA 12 N 4.32 3.18 -0.00 5.17 0.00 -1.24 -4.68 121.76 128.50 2hfq s ALA 12 Ca 0.32 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 2hfq s ALA 12 Cb -0.12 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 2hfq s ALA 12 CO 0.19 -0.15 0.60 -0.22 0.00 0.00 0.00 175.76 176.18 2hfq h LYS 13 N 1.04 -0.20 0.00 0.00 3.64 -1.88 -3.41 116.57 115.77 2hfq h LYS 13 Ca -0.47 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2hfq h LYS 13 Cb 1.19 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2hfq h LYS 13 CO 0.62 -0.13 -0.22 -0.40 -2.27 0.00 0.00 179.45 177.05 2hfq n ASP 14 N -2.93 0.85 0.00 4.20 5.75 -1.26 -4.81 116.55 118.36 2hfq n ASP 14 Ca -0.03 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 2hfq n ASP 14 Cb 0.08 1.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.18 2hfq n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hfq n GLY 15 N 1.27 -1.66 3.64 6.12 0.00 -1.26 -5.02 105.19 108.28 2hfq n GLY 15 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2hfq n GLY 15 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2hfq s HIS 16 N -1.17 -0.07 -0.15 1.61 -3.43 -1.26 -5.09 115.29 105.73 2hfq s HIS 16 Ca 0.00 0.15 -0.31 0.00 -0.80 0.00 0.00 55.06 54.10 2hfq s HIS 16 Cb 0.00 0.48 -0.08 0.00 -1.43 0.00 0.00 32.58 31.55 2hfq s HIS 16 CO 0.00 -0.05 2.09 0.28 -2.00 0.00 0.00 174.74 175.06 2hfq n VAL 17 N 1.03 0.48 -2.53 -5.38 0.31 -1.26 -3.65 118.33 107.33 2hfq n VAL 17 Ca -0.05 -0.28 -0.40 0.00 -0.01 0.00 0.00 64.34 63.59 2hfq n VAL 17 Cb 0.58 -2.24 -0.03 0.00 -0.91 0.00 0.00 33.84 31.24 2hfq n VAL 17 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 2hfq s MET 18 N 5.40 3.51 -0.69 5.55 -1.94 0.19 -4.75 119.30 126.58 2hfq s MET 18 Ca 0.97 -1.02 -0.15 0.00 -1.71 0.00 0.00 55.69 53.78 2hfq s MET 18 Cb -0.51 -5.27 0.17 0.00 2.01 0.00 0.00 34.83 31.23 2hfq s MET 18 CO 0.42 -2.26 0.66 -1.58 -0.01 0.00 0.00 175.02 172.25 2hfq s HIS 19 N 5.28 3.46 0.07 -0.03 2.46 -1.26 -1.14 115.29 124.13 2hfq s HIS 19 Ca 0.47 -1.58 0.05 0.00 0.47 0.00 0.00 55.06 54.46 2hfq s HIS 19 Cb -0.01 -3.84 -0.03 0.00 -0.13 0.00 0.00 32.58 28.57 2hfq s HIS 19 CO -0.08 -1.05 -0.13 -0.59 -2.47 0.00 0.00 174.74 170.43 2hfq s PHE 20 N 1.08 1.14 -0.12 3.88 -0.12 -0.95 -0.53 117.98 122.35 2hfq s PHE 20 Ca 0.11 -0.49 -0.04 0.00 -0.05 0.00 0.00 56.93 56.46 2hfq s PHE 20 Cb -0.20 -0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 41.52 2hfq s PHE 20 CO -0.03 0.04 0.03 0.16 -0.05 0.00 0.00 175.22 175.37 2hfq s ASP 21 N -1.83 5.45 -0.35 1.98 -4.77 -1.19 0.17 116.67 116.13 2hfq s ASP 21 Ca -0.02 0.14 -0.15 0.00 -3.30 0.00 0.00 52.55 49.23 2hfq s ASP 21 Cb -0.09 -1.72 -0.01 0.00 -1.09 0.00 0.00 42.92 40.01 2hfq s ASP 21 CO 0.02 0.31 0.35 -0.69 0.70 0.00 0.00 175.17 175.85 2hfq s VAL 22 N -0.44 5.18 -0.42 2.11 1.01 0.65 -2.04 120.40 126.44 2hfq s VAL 22 Ca 0.09 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 2hfq s VAL 22 Cb -0.12 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.46 2hfq s VAL 22 CO 0.02 -0.11 0.94 -0.36 0.00 0.00 0.00 175.10 175.60 2hfq s PHE 23 N 1.97 2.98 0.07 5.22 0.08 0.12 -1.65 117.98 126.76 2hfq s PHE 23 Ca 0.11 0.57 -0.01 0.00 0.12 0.00 0.00 56.93 57.72 2hfq s PHE 23 Cb -0.17 -3.87 -0.04 0.00 -0.57 0.00 0.00 43.02 38.37 2hfq s PHE 23 CO 0.12 -1.00 -0.01 -0.08 -0.10 0.00 0.00 175.22 174.15 2hfq s THR 24 N 3.69 0.19 -0.49 0.64 -1.32 -1.07 -0.68 115.64 116.61 2hfq s THR 24 Ca 0.38 -1.83 0.23 0.00 -1.21 0.00 0.00 61.69 59.26 2hfq s THR 24 Cb -0.11 -1.64 -0.09 0.00 -1.51 0.00 0.00 72.50 69.15 2hfq s THR 24 CO 0.24 -0.87 1.02 -0.67 -2.21 0.00 0.00 174.62 172.13 2hfq n ASP 25 N 0.06 0.62 -4.77 8.08 2.03 -1.26 -0.82 116.55 120.49 2hfq n ASP 25 Ca -0.12 -0.04 -0.38 0.00 0.52 0.00 0.00 54.79 54.76 2hfq n ASP 25 Cb 0.62 0.74 -0.04 0.00 -0.72 0.00 0.00 41.12 41.72 2hfq n ASP 25 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2hfq s VAL 26 N -3.25 3.65 -0.26 5.18 1.01 -1.26 -4.91 120.40 120.55 2hfq s VAL 26 Ca 0.02 1.45 0.13 0.00 0.00 0.00 0.00 61.98 63.58 2hfq s VAL 26 Cb 0.13 -3.84 0.70 0.00 0.00 0.00 0.00 36.38 33.37 2hfq s VAL 26 CO 0.80 0.19 1.68 -2.11 0.00 0.00 0.00 175.10 175.65 2hfq n ARG 27 N 0.57 3.75 -3.80 2.72 1.85 -1.26 -4.87 116.66 115.63 2hfq n ARG 27 Ca 0.02 -3.07 -0.36 0.00 -1.00 0.00 0.00 57.85 53.44 2hfq n ARG 27 Cb 0.47 -2.12 -0.12 0.00 -1.05 0.00 0.00 32.46 29.65 2hfq n ARG 27 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2hfq s ASP 28 N -1.30 5.42 0.28 2.89 2.15 -1.26 -4.97 116.67 119.88 2hfq s ASP 28 Ca 0.51 -0.10 -0.00 0.00 0.43 0.00 0.00 52.55 53.39 2hfq s ASP 28 Cb 0.41 -1.97 0.40 0.00 -0.30 0.00 0.00 42.92 41.46 2hfq s ASP 28 CO 0.12 0.02 1.77 -2.24 -0.17 0.00 0.00 175.17 174.67 2hfq h ASP 29 N 7.87 0.67 -0.47 -0.34 3.04 -1.99 -0.95 116.42 124.24 2hfq h ASP 29 Ca -0.37 -0.16 -0.03 0.00 -3.24 0.00 0.00 57.03 53.22 2hfq h ASP 29 Cb 1.18 -0.18 -0.02 0.00 -1.04 0.00 0.00 39.33 39.27 2hfq h ASP 29 CO 0.60 0.76 0.17 0.50 -2.04 0.00 0.00 179.24 179.23 2hfq h LYS 30 N 0.65 0.72 -0.79 4.15 3.64 -1.99 -1.55 116.57 121.41 2hfq h LYS 30 Ca 0.12 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2hfq h LYS 30 Cb 0.46 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 2hfq h LYS 30 CO 0.02 0.67 0.48 0.87 -2.27 0.00 0.00 179.45 179.22 2hfq h LYS 31 N 0.63 1.06 -0.49 1.90 1.79 -1.89 0.24 116.57 119.81 2hfq h LYS 31 Ca 0.16 -0.09 0.03 0.00 -2.18 0.00 0.00 60.65 58.57 2hfq h LYS 31 Cb 0.24 -0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 30.62 2hfq h LYS 31 CO -0.01 0.74 0.28 0.00 -1.08 0.00 0.00 179.45 179.38 2hfq h ALA 32 N 1.45 0.62 -0.07 3.86 0.00 -0.70 0.35 119.26 124.76 2hfq h ALA 32 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2hfq h ALA 32 Cb -0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2hfq h ALA 32 CO -0.05 -0.04 0.04 0.82 0.00 0.00 0.00 179.25 180.01 2hfq h ILE 33 N 0.55 1.10 -0.19 0.00 2.04 -0.61 -2.31 117.51 118.09 2hfq h ILE 33 Ca 0.20 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.79 2hfq h ILE 33 Cb 0.05 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2hfq h ILE 33 CO -0.11 0.08 0.11 -0.08 0.00 0.00 0.00 178.15 178.15 2hfq h GLU 34 N 0.01 0.22 -0.74 2.37 4.81 -0.07 -0.30 114.58 120.88 2hfq h GLU 34 Ca 0.03 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2hfq h GLU 34 Cb 0.10 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2hfq h GLU 34 CO -0.00 0.14 0.30 0.74 -0.73 0.00 0.00 179.01 179.46 2hfq h PHE 35 N 0.22 1.11 -0.49 0.92 0.04 -0.34 -0.12 116.94 118.29 2hfq h PHE 35 Ca 0.07 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2hfq h PHE 35 Cb -0.01 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 37.79 2hfq h PHE 35 CO -0.08 0.84 0.12 0.00 -0.60 0.00 0.00 178.31 178.59 2hfq h ALA 36 N 1.26 0.64 -0.46 2.45 0.00 -1.01 -1.21 119.26 120.92 2hfq h ALA 36 Ca 0.25 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2hfq h ALA 36 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2hfq h ALA 36 CO -0.02 0.33 -0.06 0.87 0.00 0.00 0.00 179.25 180.36 2hfq h LYS 37 N 0.66 0.86 -0.94 0.00 1.57 -0.55 0.18 116.57 118.35 2hfq h LYS 37 Ca 0.15 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2hfq h LYS 37 Cb 0.32 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 2hfq h LYS 37 CO 0.00 0.94 0.59 1.96 -0.57 0.00 0.00 179.45 182.37 2hfq h GLN 38 N 0.70 1.25 -0.36 3.15 4.20 -0.94 -0.46 115.11 122.65 2hfq h GLN 38 Ca 0.12 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 2hfq h GLN 38 Cb 0.59 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2hfq h GLN 38 CO 0.04 0.85 -0.10 2.35 -0.67 0.00 0.00 178.83 181.29 2hfq h TRP 39 N 1.28 0.79 -0.30 2.96 7.01 -0.79 -1.33 115.95 125.57 2hfq h TRP 39 Ca 0.34 -0.18 0.01 0.00 2.11 0.00 0.00 58.89 61.17 2hfq h TRP 39 Cb -0.10 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.74 2hfq h TRP 39 CO 0.00 0.86 0.17 -0.07 -2.79 0.00 0.00 178.44 176.62 2hfq h LEU 40 N 0.50 0.28 -1.73 0.65 3.38 -0.22 -0.00 115.31 118.17 2hfq h LEU 40 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2hfq h LEU 40 Cb 0.62 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2hfq h LEU 40 CO 0.04 0.21 -0.15 0.28 0.09 0.00 0.00 178.44 178.91 2hfq h SER 41 N 0.36 0.00 0.06 -0.43 0.02 -1.04 0.15 113.55 112.67 2hfq h SER 41 Ca 0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2hfq h SER 41 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2hfq h SER 41 CO -0.05 0.15 -0.03 -1.28 -1.14 0.00 0.00 176.83 174.48 2hfq h SER 42 N 0.00 -0.07 1.19 3.07 0.87 -0.23 -3.30 113.55 115.08 2hfq h SER 42 Ca -0.00 -0.48 -0.12 0.00 -1.23 0.00 0.00 61.79 59.96 2hfq h SER 42 Cb 0.28 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2hfq h SER 42 CO 0.02 0.47 -0.58 0.16 -0.53 0.00 0.00 176.83 176.38 2hfq h ILE 43 N -0.64 1.07 0.00 2.23 3.07 -0.88 -3.47 117.51 118.89 2hfq h ILE 43 Ca -0.01 -2.28 0.00 0.00 1.55 0.00 0.00 64.86 64.12 2hfq h ILE 43 Cb 0.55 2.37 0.00 0.00 -0.27 0.00 0.00 36.82 39.47 2hfq h ILE 43 CO 0.01 0.56 0.00 0.61 -1.05 0.00 0.00 178.15 178.29 2hfq n GLY 44 N 0.95 0.86 2.67 0.16 0.00 0.36 -5.00 105.19 105.20 2hfq n GLY 44 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2hfq n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hfq n GLU 45 N -0.60 2.71 0.06 1.61 1.02 -0.30 -4.59 120.64 120.55 2hfq n GLU 45 Ca 0.00 -3.38 0.12 0.00 -0.02 0.00 0.00 57.16 53.88 2hfq n GLU 45 Cb 0.00 -2.27 0.47 0.00 -0.02 0.00 0.00 31.44 29.62 2hfq n GLU 45 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2hfq n GLU 46 N -0.65 0.13 -1.39 3.49 2.13 -1.15 -4.41 120.64 118.78 2hfq n GLU 46 Ca 0.57 0.21 -0.39 0.00 0.66 0.00 0.00 57.16 58.21 2hfq n GLU 46 Cb 0.41 -1.68 -0.02 0.00 0.27 0.00 0.00 31.44 30.42 2hfq n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hfq n GLY 47 N 0.82 4.00 3.41 8.31 0.00 -1.26 -4.79 105.19 115.69 2hfq n GLY 47 Ca 0.05 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 2hfq n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hfq s ALA 48 N 3.04 -1.42 -0.25 4.61 0.00 -1.26 -4.78 121.76 121.69 2hfq s ALA 48 Ca 0.56 0.72 -0.08 0.00 0.00 0.00 0.00 51.96 53.16 2hfq s ALA 48 Cb 0.15 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 2hfq s ALA 48 CO -0.05 -0.49 0.10 0.99 0.00 0.00 0.00 175.76 176.31 2hfq s THR 49 N -2.28 4.63 -0.36 0.00 2.01 -1.26 -5.04 115.64 113.35 2hfq s THR 49 Ca -0.06 -0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.79 2hfq s THR 49 Cb -0.01 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.36 2hfq s THR 49 CO -0.00 0.32 0.16 -0.69 -0.69 0.00 0.00 174.62 173.72 2hfq s VAL 50 N 1.55 4.18 0.23 3.82 1.01 -1.26 -4.81 120.40 125.12 2hfq s VAL 50 Ca 0.06 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2hfq s VAL 50 Cb -0.15 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.90 2hfq s VAL 50 CO 0.05 -0.21 0.19 0.35 0.00 0.00 0.00 175.10 175.49 2hfq n THR 51 N 4.90 0.00 0.30 3.92 -2.24 -1.26 -4.94 114.28 114.97 2hfq n THR 51 Ca -0.12 -0.90 0.18 0.00 -2.27 0.00 0.00 64.05 60.94 2hfq n THR 51 Cb 0.45 -0.35 0.87 0.00 -2.10 0.00 0.00 70.33 69.20 2hfq n THR 51 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2hfq h SER 52 N 0.25 0.00 0.92 3.42 0.02 -1.98 -1.13 113.55 115.04 2hfq h SER 52 Ca -0.14 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.59 2hfq h SER 52 Cb 0.53 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 2hfq h SER 52 CO 0.22 0.00 -1.12 -0.33 -1.14 0.00 0.00 176.83 174.46 2hfq h GLU 53 N 0.00 0.00 0.05 3.45 4.39 -1.99 -3.32 114.58 117.16 2hfq h GLU 53 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 2hfq h GLU 53 Cb 0.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2hfq h GLU 53 CO 0.00 0.89 -1.27 0.93 -1.16 0.00 0.00 179.01 178.41 2hfq h GLU 54 N 0.00 0.11 -6.16 2.33 4.39 -1.59 -3.44 114.58 110.23 2hfq h GLU 54 Ca -0.06 -0.20 -0.55 0.00 0.34 0.00 0.00 59.36 58.89 2hfq h GLU 54 Cb 1.80 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.48 2hfq h GLU 54 CO 0.12 1.00 0.14 0.00 -1.16 0.00 0.00 179.01 179.12 2hfq s ARG 56 N 0.58 0.16 -0.21 0.00 3.52 -0.44 -4.84 118.95 117.72 2hfq s ARG 56 Ca 0.40 -0.23 -0.04 0.00 -0.13 0.00 0.00 55.73 55.72 2hfq s ARG 56 Cb -0.19 -0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.17 2hfq s ARG 56 CO 0.21 -0.00 -0.03 0.12 -0.81 0.00 0.00 175.30 174.79 2hfq s PHE 57 N -0.50 2.98 -0.03 5.12 5.36 -1.26 -0.28 117.98 129.36 2hfq s PHE 57 Ca -0.05 -0.73 -0.01 0.00 -0.96 0.00 0.00 56.93 55.18 2hfq s PHE 57 Cb -0.04 -2.09 -0.00 0.00 -0.34 0.00 0.00 43.02 40.55 2hfq s PHE 57 CO -0.00 -0.42 -0.02 0.00 -1.46 0.00 0.00 175.22 173.32 2hfq n HIS 59 N -2.73 -0.32 -5.09 0.00 1.44 -1.24 -5.03 115.22 102.25 2hfq n HIS 59 Ca -0.01 -0.63 -0.32 0.00 -2.01 0.00 0.00 57.72 54.75 2hfq n HIS 59 Cb 0.03 0.28 -0.16 0.00 0.12 0.00 0.00 29.99 30.26 2hfq n HIS 59 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2hfq s SER 60 N -3.62 3.38 0.38 4.39 0.01 -1.26 -1.07 113.70 115.91 2hfq s SER 60 Ca 0.28 -0.48 0.05 0.00 1.31 0.00 0.00 55.95 57.11 2hfq s SER 60 Cb -0.01 -1.43 -0.03 0.00 0.21 0.00 0.00 66.02 64.77 2hfq s SER 60 CO -0.01 0.17 0.20 -1.83 0.41 0.00 0.00 173.24 172.18 2hfq s GLU 61 N 0.30 1.86 0.56 12.44 -1.05 -1.10 -4.96 118.70 126.76 2hfq s GLU 61 Ca -0.15 -2.12 -0.20 0.00 -0.15 0.00 0.00 54.97 52.35 2hfq s GLU 61 Cb -0.17 -0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 33.29 2hfq s GLU 61 CO 0.08 -0.57 1.25 0.15 0.95 0.00 0.00 175.26 177.12 2hfq s LYS 62 N -3.59 3.12 -0.15 -4.83 1.02 -1.26 -2.83 119.74 111.22 2hfq s LYS 62 Ca 0.31 1.95 0.01 0.00 0.02 0.00 0.00 55.97 58.26 2hfq s LYS 62 Cb 0.02 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 2hfq s LYS 62 CO 0.20 -1.12 -0.18 0.00 -0.92 0.00 0.00 175.35 173.33 2hfq s ALA 63 N -1.48 2.38 0.72 5.17 0.00 -1.25 -4.81 121.76 122.48 2hfq s ALA 63 Ca 0.74 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 2hfq s ALA 63 Cb -0.33 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 21.68 2hfq s ALA 63 CO 0.38 -0.06 1.15 -2.14 0.00 0.00 0.00 175.76 175.08 2hfq s PRO 64 N 0.87 2.34 0.36 0.00 0.02 -1.26 -4.86 135.00 132.47 2hfq s PRO 64 Ca -0.05 1.52 0.11 0.00 0.02 0.00 0.00 61.00 62.60 2hfq s PRO 64 Cb -0.15 -1.88 0.87 0.00 0.02 0.00 0.00 34.50 33.36 2hfq s PRO 64 CO -0.02 -1.63 1.85 -0.44 -0.33 0.00 0.00 177.00 176.44 2hfq h ASP 65 N -0.36 0.61 0.12 2.53 5.19 -2.00 -2.23 116.42 120.28 2hfq h ASP 65 Ca -0.46 0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.01 2hfq h ASP 65 Cb 1.27 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 2hfq h ASP 65 CO 0.51 0.28 -0.30 -0.08 -3.12 0.00 0.00 179.24 176.53 2hfq h GLU 66 N 0.63 -0.50 0.00 3.56 4.81 -2.01 -2.53 114.58 118.54 2hfq h GLU 66 Ca 0.47 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.67 2hfq h GLU 66 Cb 0.85 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2hfq h GLU 66 CO -0.22 -0.33 -0.28 -0.39 -0.73 0.00 0.00 179.01 177.05 2hfq h VAL 67 N -0.52 0.69 -0.11 0.32 -1.51 -1.79 -2.54 116.25 110.79 2hfq h VAL 67 Ca 0.03 -1.26 0.02 0.00 -1.23 0.00 0.00 66.70 64.27 2hfq h VAL 67 Cb 0.55 1.81 -0.02 0.00 -2.13 0.00 0.00 31.29 31.50 2hfq h VAL 67 CO -0.17 0.27 -0.04 0.40 -1.23 0.00 0.00 177.57 176.80 2hfq h ILE 68 N 0.00 0.86 -0.28 7.19 1.08 -1.10 -0.79 117.51 124.47 2hfq h ILE 68 Ca -0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 2hfq h ILE 68 Cb 0.79 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 2hfq h ILE 68 CO 0.04 0.00 0.06 -0.33 -0.69 0.00 0.00 178.15 177.23 2hfq h GLU 69 N -0.02 0.45 0.14 2.37 4.39 -1.23 -1.72 114.58 118.96 2hfq h GLU 69 Ca 0.06 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.66 2hfq h GLU 69 Cb 0.11 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2hfq h GLU 69 CO -0.12 0.54 -0.19 0.00 -1.16 0.00 0.00 179.01 178.08 2hfq h ALA 70 N 0.89 -0.34 -0.04 3.43 0.00 -1.23 -0.53 119.26 121.43 2hfq h ALA 70 Ca 0.09 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2hfq h ALA 70 Cb 0.30 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2hfq h ALA 70 CO 0.00 -0.72 -0.55 0.82 0.00 0.00 0.00 179.25 178.80 2hfq h ILE 71 N -0.38 1.38 -0.23 0.00 2.04 -1.17 0.12 117.51 119.27 2hfq h ILE 71 Ca 0.01 -1.86 -0.11 0.00 1.00 0.00 0.00 64.86 63.91 2hfq h ILE 71 Cb 0.38 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 2hfq h ILE 71 CO -0.08 0.54 -0.31 0.50 0.00 0.00 0.00 178.15 178.80 2hfq h LYS 72 N 0.10 0.46 0.04 2.37 3.64 -1.00 0.03 116.57 122.21 2hfq h LYS 72 Ca -0.00 -0.19 -0.30 0.00 -1.27 0.00 0.00 60.65 58.88 2hfq h LYS 72 Cb 0.99 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 2hfq h LYS 72 CO 0.08 0.73 -1.65 1.04 -2.27 0.00 0.00 179.45 177.37 2hfq n GLN 73 N -4.08 0.64 0.02 1.90 6.02 -0.24 -4.51 117.38 117.14 2hfq n GLN 73 Ca -0.01 0.43 0.11 0.00 -0.01 0.00 0.00 57.00 57.53 2hfq n GLN 73 Cb 0.44 -1.71 -0.08 0.00 1.02 0.00 0.00 30.24 29.91 2hfq n GLN 73 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2hfq n ASN 74 N -4.06 0.42 0.00 1.08 3.02 0.41 -4.97 115.26 111.17 2hfq n ASN 74 Ca -0.34 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 2hfq n ASN 74 Cb 0.83 1.28 0.00 0.00 -0.61 0.00 0.00 39.78 41.28 2hfq n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hfq n GLY 75 N 1.29 2.94 3.39 7.41 0.00 -0.00 -4.97 105.19 115.25 2hfq n GLY 75 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2hfq n GLY 75 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hfq s TYR 76 N -2.37 -0.44 -0.04 1.61 -0.85 -1.26 -4.31 117.35 109.70 2hfq s TYR 76 Ca 0.00 0.30 -0.01 0.00 -0.52 0.00 0.00 57.07 56.83 2hfq s TYR 76 Cb 0.00 0.43 0.03 0.00 0.38 0.00 0.00 41.96 42.80 2hfq s TYR 76 CO 0.00 -0.75 0.05 0.12 -1.52 0.00 0.00 175.55 173.44 2hfq s PHE 77 N -3.33 0.11 -0.17 -3.49 5.36 0.15 -4.62 117.98 111.99 2hfq s PHE 77 Ca -0.01 0.19 -0.13 0.00 -0.96 0.00 0.00 56.93 56.03 2hfq s PHE 77 Cb -0.00 -0.45 -0.05 0.00 -0.34 0.00 0.00 43.02 42.18 2hfq s PHE 77 CO -0.09 -0.18 0.25 0.42 -1.46 0.00 0.00 175.22 174.16 2hfq s ILE 78 N 1.87 5.34 -0.13 3.12 1.09 -1.26 0.14 121.20 131.35 2hfq s ILE 78 Ca 0.01 0.45 -0.03 0.00 -1.10 0.00 0.00 60.65 59.98 2hfq s ILE 78 Cb -0.12 -3.58 -0.03 0.00 -1.06 0.00 0.00 42.46 37.66 2hfq s ILE 78 CO -0.03 0.41 -0.03 -0.47 -0.10 0.00 0.00 174.94 174.72 2hfq s TYR 79 N 0.41 3.05 -1.04 3.97 5.04 -0.87 -5.00 117.35 122.92 2hfq s TYR 79 Ca 0.14 -0.14 -0.23 0.00 -2.44 0.00 0.00 57.07 54.40 2hfq s TYR 79 Cb -0.12 -1.90 0.01 0.00 0.35 0.00 0.00 41.96 40.30 2hfq s TYR 79 CO 0.02 0.12 1.67 0.15 -1.34 0.00 0.00 175.55 176.18 2hfq s LYS 80 N -0.04 3.26 0.00 4.97 3.01 -1.26 -3.14 119.74 126.53 2hfq s LYS 80 Ca 0.02 -1.01 -0.11 0.00 -1.01 0.00 0.00 55.97 53.85 2hfq s LYS 80 Cb -0.13 -5.29 -0.06 0.00 -1.01 0.00 0.00 37.83 31.34 2hfq s LYS 80 CO 0.02 -2.70 0.80 1.98 0.51 0.00 0.00 175.35 175.96 2hfq h MET 81 N 9.90 -0.39 -6.06 1.68 4.05 -1.92 -3.42 114.93 118.77 2hfq h MET 81 Ca 0.21 0.03 -0.54 0.00 -0.28 0.00 0.00 59.70 59.11 2hfq h MET 81 Cb 0.98 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.85 2hfq h MET 81 CO 1.35 -0.26 -0.46 -2.00 0.23 0.00 0.00 176.91 175.77 2hfq s GLU 82 N -3.24 3.45 0.00 0.39 -6.30 0.31 -4.31 118.70 108.99 2hfq s GLU 82 Ca -0.06 -0.58 0.00 0.00 -2.50 0.00 0.00 54.97 51.84 2hfq s GLU 82 Cb 0.01 -2.96 0.00 0.00 0.00 0.00 0.00 34.13 31.18 2hfq s GLU 82 CO 0.18 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.38 2hfq n GLY 83 N -0.53 0.68 0.13 -1.50 0.00 -1.26 -4.46 105.19 98.25 2hfq n GLY 83 Ca -0.07 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32