#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 0.58 0.04 2.12 0.00 -1.26 -4.37 119.66 116.76 2hfq s GLN 2 Ca 0.00 -0.54 -0.30 0.00 -0.00 0.00 0.00 55.36 54.52 2hfq s GLN 2 Cb 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 33.01 32.50 2hfq s GLN 2 CO 0.00 0.11 0.97 0.96 0.00 0.00 0.00 175.29 177.33 2hfq s ILE 3 N -0.79 4.74 -0.52 3.63 -4.36 0.10 -4.84 121.20 119.16 2hfq s ILE 3 Ca -0.03 2.06 -0.22 0.00 -0.26 0.00 0.00 60.65 62.20 2hfq s ILE 3 Cb -0.07 -4.32 0.05 0.00 1.25 0.00 0.00 42.46 39.37 2hfq s ILE 3 CO 0.00 0.22 0.80 -1.00 0.24 0.00 0.00 174.94 175.20 2hfq s HIS 4 N 0.66 2.92 -0.24 1.37 3.76 -0.09 -1.06 115.29 122.60 2hfq s HIS 4 Ca 0.50 -0.20 -0.23 0.00 -0.15 0.00 0.00 55.06 54.98 2hfq s HIS 4 Cb -0.22 -3.80 -0.01 0.00 1.11 0.00 0.00 32.58 29.66 2hfq s HIS 4 CO 0.29 -1.18 0.76 0.08 -0.85 0.00 0.00 174.74 173.83 2hfq s VAL 5 N 3.35 4.89 -0.30 -0.90 1.01 -0.35 -2.62 120.40 125.49 2hfq s VAL 5 Ca 0.24 1.42 -0.08 0.00 0.00 0.00 0.00 61.98 63.56 2hfq s VAL 5 Cb -0.15 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2hfq s VAL 5 CO 0.17 -0.03 0.11 -0.31 0.00 0.00 0.00 175.10 175.04 2hfq s TYR 6 N 2.65 3.15 -0.67 5.22 1.51 0.06 -0.21 117.35 129.06 2hfq s TYR 6 Ca 0.32 -0.79 -0.27 0.00 -1.01 0.00 0.00 57.07 55.31 2hfq s TYR 6 Cb -0.15 -2.29 0.03 0.00 -0.11 0.00 0.00 41.96 39.43 2hfq s TYR 6 CO 0.08 -0.52 1.28 0.34 -1.11 0.00 0.00 175.55 175.62 2hfq s ASP 7 N 1.55 6.23 -0.27 2.29 2.15 0.21 -0.92 116.67 127.91 2hfq s ASP 7 Ca 0.04 -0.18 -0.06 0.00 0.43 0.00 0.00 52.55 52.77 2hfq s ASP 7 Cb -0.17 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 39.89 2hfq s ASP 7 CO 0.04 -1.73 0.06 -0.89 -0.17 0.00 0.00 175.17 172.48 2hfq s THR 8 N 5.61 3.98 -0.42 1.71 2.01 -0.68 -0.41 115.64 127.43 2hfq s THR 8 Ca 0.40 -0.49 -0.14 0.00 0.31 0.00 0.00 61.69 61.77 2hfq s THR 8 Cb -0.08 -2.95 0.04 0.00 0.01 0.00 0.00 72.50 69.52 2hfq s THR 8 CO 0.19 0.22 0.30 -0.31 -0.69 0.00 0.00 174.62 174.34 2hfq s TYR 9 N 1.53 3.25 -0.36 4.92 1.51 0.11 -1.60 117.35 126.71 2hfq s TYR 9 Ca 0.04 -0.86 -0.08 0.00 -1.01 0.00 0.00 57.07 55.16 2hfq s TYR 9 Cb -0.16 -2.76 0.04 0.00 -0.11 0.00 0.00 41.96 38.97 2hfq s TYR 9 CO 0.02 -0.69 0.16 0.08 -1.11 0.00 0.00 175.55 174.01 2hfq s VAL 10 N 1.62 4.10 -0.78 0.71 1.01 0.13 -4.69 120.40 122.49 2hfq s VAL 10 Ca 0.04 -1.08 -0.20 0.00 0.00 0.00 0.00 61.98 60.74 2hfq s VAL 10 Cb -0.21 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 32.93 2hfq s VAL 10 CO 0.08 -0.24 1.02 -0.54 0.00 0.00 0.00 175.10 175.41 2hfq s LYS 11 N 1.45 3.34 0.44 2.72 1.02 -1.26 0.34 119.74 127.78 2hfq s LYS 11 Ca 0.00 -1.33 -0.15 0.00 0.02 0.00 0.00 55.97 54.52 2hfq s LYS 11 Cb -0.20 -4.57 -0.08 0.00 -0.52 0.00 0.00 37.83 32.47 2hfq s LYS 11 CO 0.04 -1.77 0.86 0.00 -0.92 0.00 0.00 175.35 173.57 2hfq s ALA 12 N 3.26 3.21 0.03 5.17 0.00 -1.20 -4.82 121.76 127.41 2hfq s ALA 12 Ca 0.26 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 2hfq s ALA 12 Cb -0.12 -2.91 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 2hfq s ALA 12 CO 0.00 -0.03 1.17 0.87 0.00 0.00 0.00 175.76 177.77 2hfq h LYS 13 N 1.35 -0.25 0.00 0.00 1.57 -1.95 -3.36 116.57 113.93 2hfq h LYS 13 Ca -0.47 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2hfq h LYS 13 Cb 1.18 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2hfq h LYS 13 CO 0.63 -0.17 -0.01 -0.25 -0.57 0.00 0.00 179.45 179.08 2hfq n ASP 14 N -3.30 1.57 -1.58 0.86 8.00 -1.26 -4.62 116.55 116.23 2hfq n ASP 14 Ca -0.03 -1.87 0.09 0.00 0.71 0.00 0.00 54.79 53.70 2hfq n ASP 14 Cb 0.13 -0.03 0.36 0.00 -0.02 0.00 0.00 41.12 41.56 2hfq n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hfq n GLY 15 N -0.45 2.78 0.50 0.44 0.00 -1.26 -5.06 105.19 102.15 2hfq n GLY 15 Ca 0.01 -0.86 0.01 0.00 0.00 0.00 0.00 46.02 45.19 2hfq n GLY 15 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2hfq n HIS 16 N 1.10 -1.36 -2.04 1.61 -0.00 -1.26 -4.67 115.22 108.61 2hfq n HIS 16 Ca 0.26 0.74 -0.40 0.00 0.46 0.00 0.00 57.72 58.78 2hfq n HIS 16 Cb 0.89 -1.43 -0.03 0.00 -0.12 0.00 0.00 29.99 29.31 2hfq n HIS 16 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2hfq s VAL 17 N -4.23 3.41 -0.52 3.57 1.01 -1.26 -3.21 120.40 119.17 2hfq s VAL 17 Ca 0.00 0.32 -0.22 0.00 0.00 0.00 0.00 61.98 62.08 2hfq s VAL 17 Cb 0.00 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.57 2hfq s VAL 17 CO 0.00 -0.75 0.79 -0.04 0.00 0.00 0.00 175.10 175.11 2hfq s MET 18 N 6.57 3.25 -0.17 2.72 -1.94 0.15 -4.87 119.30 125.02 2hfq s MET 18 Ca 0.71 -0.50 -0.01 0.00 -1.71 0.00 0.00 55.69 54.18 2hfq s MET 18 Cb -0.15 -4.06 -0.01 0.00 2.01 0.00 0.00 34.83 32.62 2hfq s MET 18 CO 0.25 -1.33 -0.11 -3.38 -0.01 0.00 0.00 175.02 170.44 2hfq s HIS 19 N 3.33 2.85 0.24 -0.03 -3.43 -1.26 0.20 115.29 117.19 2hfq s HIS 19 Ca 0.24 -0.88 -0.03 0.00 -0.80 0.00 0.00 55.06 53.59 2hfq s HIS 19 Cb -0.15 -1.94 -0.03 0.00 -1.43 0.00 0.00 32.58 29.03 2hfq s HIS 19 CO 0.17 -0.41 0.25 -0.59 -2.00 0.00 0.00 174.74 172.16 2hfq s PHE 20 N 0.85 1.02 -0.32 0.38 -0.12 -0.63 -2.59 117.98 116.59 2hfq s PHE 20 Ca -0.03 -1.25 -0.10 0.00 -0.05 0.00 0.00 56.93 55.50 2hfq s PHE 20 Cb -0.15 -0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 41.87 2hfq s PHE 20 CO 0.00 -0.79 0.17 -0.51 -0.05 0.00 0.00 175.22 174.04 2hfq s ASP 21 N -3.15 5.63 -0.40 1.98 1.11 0.58 -1.69 116.67 120.71 2hfq s ASP 21 Ca 0.35 -0.52 -0.20 0.00 0.18 0.00 0.00 52.55 52.35 2hfq s ASP 21 Cb 0.04 -2.02 0.01 0.00 1.07 0.00 0.00 42.92 42.02 2hfq s ASP 21 CO 0.13 -0.20 0.62 -0.69 1.18 0.00 0.00 175.17 176.21 2hfq s VAL 22 N 1.63 4.87 -0.29 -1.27 1.01 -0.09 -0.02 120.40 126.24 2hfq s VAL 22 Ca 0.05 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 2hfq s VAL 22 Cb -0.17 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2hfq s VAL 22 CO 0.07 -0.47 0.37 -0.36 0.00 0.00 0.00 175.10 174.71 2hfq s PHE 23 N 2.73 3.23 0.30 5.22 0.08 0.69 -0.76 117.98 129.47 2hfq s PHE 23 Ca 0.22 0.30 -0.09 0.00 0.12 0.00 0.00 56.93 57.48 2hfq s PHE 23 Cb -0.14 -2.60 0.01 0.00 -0.57 0.00 0.00 43.02 39.71 2hfq s PHE 23 CO 0.17 -0.28 0.51 -0.08 -0.10 0.00 0.00 175.22 175.44 2hfq s THR 24 N 2.06 0.00 -0.15 0.64 -1.32 -1.08 -1.04 115.64 114.75 2hfq s THR 24 Ca 0.14 -1.44 0.16 0.00 -1.21 0.00 0.00 61.69 59.34 2hfq s THR 24 Cb -0.16 -2.46 -0.24 0.00 -1.51 0.00 0.00 72.50 68.13 2hfq s THR 24 CO 0.11 0.00 0.25 -0.67 -2.21 0.00 0.00 174.62 172.10 2hfq n ASP 25 N -0.90 0.33 -4.67 8.08 2.03 -1.26 -0.91 116.55 119.25 2hfq n ASP 25 Ca -0.01 0.13 -0.42 0.00 0.52 0.00 0.00 54.79 55.00 2hfq n ASP 25 Cb 0.62 0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 41.61 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 -2.52 3.74 -1.00 5.18 1.01 -1.26 -4.85 120.40 120.69 2hfq s VAL 26 Ca -0.09 1.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 2hfq s VAL 26 Cb 0.07 -3.65 0.32 0.00 0.00 0.00 0.00 36.38 33.12 2hfq s VAL 26 CO 0.82 -0.05 1.65 -2.11 0.00 0.00 0.00 175.10 175.41 2hfq n ARG 27 N 6.33 4.98 -4.95 2.72 1.85 -1.26 -4.80 116.66 121.53 2hfq n ARG 27 Ca 0.15 -4.65 -0.28 0.00 -1.00 0.00 0.00 57.85 52.06 2hfq n ARG 27 Cb 0.43 -2.46 -0.17 0.00 -1.05 0.00 0.00 32.46 29.22 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 -1.64 2.48 0.06 2.89 -1.08 -1.26 -5.07 116.67 113.06 2hfq s ASP 28 Ca 0.37 -0.43 -0.19 0.00 -0.52 0.00 0.00 52.55 51.79 2hfq s ASP 28 Cb 0.16 -0.98 -0.08 0.00 -1.46 0.00 0.00 42.92 40.56 2hfq s ASP 28 CO -0.06 0.13 1.30 -0.78 0.52 0.00 0.00 175.17 176.28 2hfq h ASP 29 N 6.60 -0.90 0.40 -0.34 1.82 -2.00 -2.43 116.42 119.56 2hfq h ASP 29 Ca -0.27 0.10 -0.22 0.00 -0.39 0.00 0.00 57.03 56.25 2hfq h ASP 29 Cb 1.20 0.34 -0.00 0.00 0.68 0.00 0.00 39.33 41.55 2hfq h ASP 29 CO 0.47 -0.29 -0.92 0.50 -1.61 0.00 0.00 179.24 177.39 2hfq h LYS 30 N -0.39 0.35 -0.54 0.28 3.64 -1.99 -3.14 116.57 114.78 2hfq h LYS 30 Ca 0.00 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2hfq h LYS 30 Cb 0.40 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 2hfq h LYS 30 CO -0.18 1.06 0.33 -0.22 -2.27 0.00 0.00 179.45 178.17 2hfq h LYS 31 N 0.20 0.73 -0.61 1.90 1.63 -1.97 -0.29 116.57 118.16 2hfq h LYS 31 Ca -0.07 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.60 2hfq h LYS 31 Cb 1.55 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 33.00 2hfq h LYS 31 CO 0.15 0.52 0.13 0.00 -3.45 0.00 0.00 179.45 176.80 2hfq h ALA 32 N 1.17 0.80 -0.56 5.00 0.00 -1.47 -2.26 119.26 121.94 2hfq h ALA 32 Ca 0.19 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2hfq h ALA 32 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2hfq h ALA 32 CO -0.04 0.53 0.11 0.82 0.00 0.00 0.00 179.25 180.67 2hfq h ILE 33 N 0.90 1.24 -0.35 0.00 2.04 -1.41 -2.32 117.51 117.60 2hfq h ILE 33 Ca 0.19 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 2hfq h ILE 33 Cb 0.39 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2hfq h ILE 33 CO 0.01 0.33 -0.06 -0.08 0.00 0.00 0.00 178.15 178.34 2hfq h GLU 34 N 0.84 0.58 -0.68 2.37 4.57 -0.73 -1.72 114.58 119.82 2hfq h GLU 34 Ca 0.18 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2hfq h GLU 34 Cb 0.35 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 2hfq h GLU 34 CO 0.00 0.65 0.35 0.74 -1.18 0.00 0.00 179.01 179.58 2hfq h PHE 35 N 0.55 0.96 -0.69 0.92 0.04 -0.88 -2.30 116.94 115.54 2hfq h PHE 35 Ca 0.11 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.79 2hfq h PHE 35 Cb 0.44 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 2hfq h PHE 35 CO 0.02 0.70 0.21 0.00 -0.60 0.00 0.00 178.31 178.63 2hfq h ALA 36 N 1.17 1.07 -0.27 2.45 0.00 -1.02 -2.50 119.26 120.15 2hfq h ALA 36 Ca 0.24 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2hfq h ALA 36 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2hfq h ALA 36 CO -0.03 0.63 -0.07 0.87 0.00 0.00 0.00 179.25 180.65 2hfq h LYS 37 N 1.02 0.43 -0.92 0.00 1.57 -1.02 -1.31 116.57 116.34 2hfq h LYS 37 Ca 0.22 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2hfq h LYS 37 Cb 0.30 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 2hfq h LYS 37 CO -0.01 0.51 0.60 1.96 -0.57 0.00 0.00 179.45 181.94 2hfq h GLN 38 N 0.41 1.13 -0.22 3.15 4.20 -0.96 0.45 115.11 123.26 2hfq h GLN 38 Ca 0.08 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 2hfq h GLN 38 Cb 0.38 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2hfq h GLN 38 CO 0.02 0.75 -0.18 2.35 -0.67 0.00 0.00 178.83 181.09 2hfq h TRP 39 N 1.16 0.62 -0.92 2.96 7.01 -1.30 -2.34 115.95 123.13 2hfq h TRP 39 Ca 0.37 -0.18 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 2hfq h TRP 39 Cb 0.00 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 26.88 2hfq h TRP 39 CO -0.01 0.84 0.53 -0.07 -2.79 0.00 0.00 178.44 176.94 2hfq h LEU 40 N 0.21 1.12 -1.23 0.65 3.38 -0.73 -1.60 115.31 117.11 2hfq h LEU 40 Ca 0.04 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2hfq h LEU 40 Cb 0.72 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2hfq h LEU 40 CO 0.05 0.87 -0.20 -1.28 0.09 0.00 0.00 178.44 177.97 2hfq h SER 41 N 1.27 0.28 0.89 -0.43 0.87 -0.06 -0.32 113.55 116.05 2hfq h SER 41 Ca 0.33 -0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.70 2hfq h SER 41 Cb -0.02 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 2hfq h SER 41 CO -0.06 0.49 -0.53 0.28 -0.53 0.00 0.00 176.83 176.49 2hfq h SER 42 N 0.26 0.00 -0.02 6.23 0.02 -0.75 -2.88 113.55 116.41 2hfq h SER 42 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2hfq h SER 42 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2hfq h SER 42 CO 0.03 0.53 -0.03 2.30 -1.14 0.00 0.00 176.83 178.52 2hfq n ILE 43 N -3.54 0.00 0.00 3.27 -5.35 -0.78 -4.96 119.36 108.00 2hfq n ILE 43 Ca -0.00 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 2hfq n ILE 43 Cb 0.62 1.29 0.00 0.00 -1.74 0.00 0.00 39.64 39.80 2hfq n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hfq n GLY 44 N 1.32 3.25 1.04 3.28 0.00 -0.24 -4.89 105.19 108.94 2hfq n GLY 44 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.68 1.19 -2.13 1.61 -0.58 -0.53 -4.60 120.64 113.92 2hfq n GLU 45 Ca 0.00 -0.33 -0.42 0.00 -0.42 0.00 0.00 57.16 55.99 2hfq n GLU 45 Cb 0.00 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2hfq n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2hfq n GLU 46 N 0.27 3.07 -0.25 3.49 2.13 -1.11 -4.10 120.64 124.13 2hfq n GLU 46 Ca 0.06 -2.98 0.00 0.00 0.66 0.00 0.00 57.16 54.90 2hfq n GLU 46 Cb 0.57 -3.31 0.00 0.00 0.27 0.00 0.00 31.44 28.97 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 4.41 -0.36 3.63 8.31 0.00 -1.26 -4.97 105.19 114.94 2hfq n GLY 47 Ca 0.49 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 3.11 -0.94 4.61 0.00 -1.26 -5.03 121.76 122.25 2hfq s ALA 48 Ca 0.00 -1.29 -0.23 0.00 0.00 0.00 0.00 51.96 50.44 2hfq s ALA 48 Cb 0.00 -0.97 0.06 0.00 0.00 0.00 0.00 23.12 22.21 2hfq s ALA 48 CO 0.00 0.57 1.33 0.99 0.00 0.00 0.00 175.76 178.66 2hfq s THR 49 N -1.48 4.07 -0.50 0.00 2.01 -1.26 -4.96 115.64 113.51 2hfq s THR 49 Ca 0.25 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.37 2hfq s THR 49 Cb -0.10 -4.96 0.08 0.00 0.01 0.00 0.00 72.50 67.52 2hfq s THR 49 CO 0.17 -1.82 0.50 -0.69 -0.69 0.00 0.00 174.62 172.08 2hfq s VAL 50 N 4.61 5.10 0.00 3.82 1.01 -1.26 -4.86 120.40 128.83 2hfq s VAL 50 Ca 0.40 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2hfq s VAL 50 Cb -0.03 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2hfq s VAL 50 CO -0.05 -0.72 0.00 0.41 0.00 0.00 0.00 175.10 174.74 2hfq n THR 51 N 5.34 0.00 0.30 3.92 -1.04 -1.26 -4.91 114.28 116.64 2hfq n THR 51 Ca -0.11 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.09 2hfq n THR 51 Cb 0.43 0.00 0.95 0.00 -1.82 0.00 0.00 70.33 69.90 2hfq n THR 51 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2hfq h SER 52 N 0.00 0.00 1.31 8.00 0.02 -1.94 0.27 113.55 121.20 2hfq h SER 52 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hfq h SER 52 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2hfq h SER 52 CO 0.00 0.02 -0.44 -0.08 -1.14 0.00 0.00 176.83 175.20 2hfq h GLU 53 N 0.00 0.00 0.03 3.45 4.81 -1.96 -3.33 114.58 117.58 2hfq h GLU 53 Ca -0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 2hfq h GLU 53 Cb 0.22 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 2hfq h GLU 53 CO 0.00 0.00 -2.05 0.39 -0.73 0.00 0.00 179.01 176.62 2hfq n GLU 54 N -2.53 0.64 -3.44 1.92 4.71 -0.30 -4.78 120.64 116.86 2hfq n GLU 54 Ca 0.03 0.33 -0.43 0.00 -0.01 0.00 0.00 57.16 57.07 2hfq n GLU 54 Cb 0.49 -1.62 -0.08 0.00 -1.01 0.00 0.00 31.44 29.22 2hfq n GLU 54 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2hfq s ARG 56 N 1.58 2.58 -0.35 0.00 3.00 0.45 -4.42 118.95 121.79 2hfq s ARG 56 Ca 0.04 -0.74 -0.29 0.00 0.00 0.00 0.00 55.73 54.74 2hfq s ARG 56 Cb -0.25 -2.54 -0.00 0.00 0.00 0.00 0.00 34.95 32.16 2hfq s ARG 56 CO 0.05 0.59 1.55 0.12 0.00 0.00 0.00 175.30 177.60 2hfq s PHE 57 N -1.11 2.21 -0.04 -0.53 5.36 -1.26 0.64 117.98 123.24 2hfq s PHE 57 Ca 0.20 0.65 -0.06 0.00 -0.96 0.00 0.00 56.93 56.76 2hfq s PHE 57 Cb -0.11 -4.18 -0.03 0.00 -0.34 0.00 0.00 43.02 38.36 2hfq s PHE 57 CO 0.11 -2.39 0.34 0.00 -1.46 0.00 0.00 175.22 171.82 2hfq s HIS 59 N -2.25 0.00 -0.09 0.00 -3.43 -1.17 -5.03 115.29 103.31 2hfq s HIS 59 Ca -0.03 -0.02 -0.13 0.00 -0.80 0.00 0.00 55.06 54.08 2hfq s HIS 59 Cb 0.00 0.51 -0.05 0.00 -1.43 0.00 0.00 32.58 31.61 2hfq s HIS 59 CO 0.10 -0.04 0.32 0.45 -2.00 0.00 0.00 174.74 173.57 2hfq s SER 60 N -3.72 6.58 0.09 7.38 0.15 -1.26 -1.21 113.70 121.72 2hfq s SER 60 Ca 0.28 0.69 0.02 0.00 0.70 0.00 0.00 55.95 57.64 2hfq s SER 60 Cb 0.02 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 2hfq s SER 60 CO -0.04 0.24 -0.07 -0.70 1.20 0.00 0.00 173.24 173.87 2hfq s GLU 61 N -0.39 0.81 0.23 5.44 2.56 -0.23 -4.98 118.70 122.14 2hfq s GLU 61 Ca 0.19 -1.26 -0.32 0.00 0.00 0.00 0.00 54.97 53.59 2hfq s GLU 61 Cb -0.14 -0.25 -0.12 0.00 2.00 0.00 0.00 34.13 35.62 2hfq s GLU 61 CO 0.08 -0.00 1.71 0.15 -0.56 0.00 0.00 175.26 176.63 2hfq s LYS 62 N -3.50 4.12 -0.31 4.30 1.02 -1.26 -0.72 119.74 123.37 2hfq s LYS 62 Ca 0.09 2.62 -0.18 0.00 0.02 0.00 0.00 55.97 58.52 2hfq s LYS 62 Cb 0.03 -3.06 -0.01 0.00 -0.52 0.00 0.00 37.83 34.27 2hfq s LYS 62 CO -0.04 -0.74 0.52 0.00 -0.92 0.00 0.00 175.35 174.18 2hfq s ALA 63 N 0.95 3.52 0.48 5.17 0.00 -1.26 -4.67 121.76 125.95 2hfq s ALA 63 Ca 0.73 -0.83 -0.22 0.00 0.00 0.00 0.00 51.96 51.64 2hfq s ALA 63 Cb -0.50 -2.98 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 2hfq s ALA 63 CO 0.35 -1.04 1.10 -2.14 0.00 0.00 0.00 175.76 174.03 2hfq s PRO 64 N 2.39 3.75 0.55 0.00 0.02 -1.26 -4.93 135.00 135.52 2hfq s PRO 64 Ca 0.20 1.56 0.24 0.00 0.02 0.00 0.00 61.00 63.03 2hfq s PRO 64 Cb -0.15 -2.25 1.49 0.00 0.02 0.00 0.00 34.50 33.61 2hfq s PRO 64 CO 0.12 -0.51 2.10 0.38 -0.33 0.00 0.00 177.00 178.76 2hfq h ASP 65 N 1.79 0.00 -0.97 2.53 3.04 -2.00 -1.33 116.42 119.48 2hfq h ASP 65 Ca -0.49 0.00 0.14 0.00 -3.24 0.00 0.00 57.03 53.44 2hfq h ASP 65 Cb 1.24 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 39.44 2hfq h ASP 65 CO 0.59 0.00 0.61 -0.33 -2.04 0.00 0.00 179.24 178.08 2hfq h GLU 66 N 0.00 0.82 0.00 4.15 5.08 -2.02 -2.61 114.58 120.00 2hfq h GLU 66 Ca 0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2hfq h GLU 66 Cb 0.45 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2hfq h GLU 66 CO -0.00 0.55 -1.38 1.33 -1.00 0.00 0.00 179.01 178.51 2hfq n VAL 67 N -4.62 0.09 0.11 3.13 0.24 -0.52 -3.87 118.33 112.89 2hfq n VAL 67 Ca 0.19 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 2hfq n VAL 67 Cb 0.44 0.29 -0.08 0.00 -1.47 0.00 0.00 33.84 33.02 2hfq n VAL 67 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2hfq h ILE 68 N 0.00 0.90 0.00 1.34 1.08 -1.26 -0.15 117.51 119.42 2hfq h ILE 68 Ca 0.00 -0.45 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2hfq h ILE 68 Cb 0.79 1.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 2hfq h ILE 68 CO 0.00 0.10 0.00 1.05 -0.69 0.00 0.00 178.15 178.61 2hfq h GLU 69 N -0.47 0.00 0.02 2.37 -0.00 -1.75 -2.03 114.58 112.72 2hfq h GLU 69 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.33 2hfq h GLU 69 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.11 2hfq h GLU 69 CO 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 179.01 179.04 2hfq h ALA 70 N 2.13 -0.03 0.00 1.06 0.00 -1.62 -1.87 119.26 118.94 2hfq h ALA 70 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2hfq h ALA 70 Cb 0.78 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2hfq h ALA 70 CO 0.00 -0.25 -0.15 0.82 0.00 0.00 0.00 179.25 179.67 2hfq h ILE 71 N -0.55 0.57 0.00 0.00 2.04 -0.95 0.26 117.51 118.88 2hfq h ILE 71 Ca -0.00 -0.67 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 2hfq h ILE 71 Cb 0.52 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2hfq h ILE 71 CO 0.00 0.14 -0.32 0.50 0.00 0.00 0.00 178.15 178.48 2hfq h LYS 72 N 0.00 0.00 0.00 2.37 3.64 -1.25 -2.38 116.57 118.95 2hfq h LYS 72 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2hfq h LYS 72 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2hfq h LYS 72 CO 0.02 0.32 -0.36 0.94 -2.27 0.00 0.00 179.45 178.10 2hfq n GLN 73 N -3.53 0.27 -0.11 1.90 7.27 -0.07 -4.80 117.38 118.31 2hfq n GLN 73 Ca -0.00 0.34 -0.16 0.00 0.07 0.00 0.00 57.00 57.25 2hfq n GLN 73 Cb 0.47 -1.23 -0.13 0.00 2.41 0.00 0.00 30.24 31.76 2hfq n GLN 73 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 2hfq n ASN 74 N -3.62 1.39 0.00 1.69 0.23 0.72 -5.01 115.26 110.66 2hfq n ASN 74 Ca -0.05 -0.06 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 2hfq n ASN 74 Cb 0.19 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 2hfq n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hfq n GLY 75 N 2.07 0.56 3.28 4.83 0.00 -0.89 -4.99 105.19 110.05 2hfq n GLY 75 Ca -0.40 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 -1.08 -0.28 1.61 1.13 -1.26 -4.56 117.35 110.91 2hfq s TYR 76 Ca 0.00 1.64 -0.06 0.00 -1.41 0.00 0.00 57.07 57.23 2hfq s TYR 76 Cb 0.00 0.43 0.00 0.00 -1.10 0.00 0.00 41.96 41.29 2hfq s TYR 76 CO 0.00 -0.64 0.06 0.12 -2.51 0.00 0.00 175.55 172.58 2hfq s PHE 77 N 2.72 3.11 -0.45 -3.49 5.36 -0.21 -4.89 117.98 120.12 2hfq s PHE 77 Ca 0.04 -0.89 -0.22 0.00 -0.96 0.00 0.00 56.93 54.90 2hfq s PHE 77 Cb -0.13 -2.23 0.03 0.00 -0.34 0.00 0.00 43.02 40.35 2hfq s PHE 77 CO -0.16 -0.54 0.72 0.42 -1.46 0.00 0.00 175.22 174.20 2hfq s ILE 78 N 1.51 4.73 -0.23 3.12 1.09 -1.26 -0.22 121.20 129.95 2hfq s ILE 78 Ca 0.04 0.22 -0.16 0.00 -1.10 0.00 0.00 60.65 59.65 2hfq s ILE 78 Cb -0.16 -4.28 -0.04 0.00 -1.06 0.00 0.00 42.46 36.93 2hfq s ILE 78 CO 0.02 -0.68 0.42 -0.47 -0.10 0.00 0.00 174.94 174.13 2hfq s TYR 79 N 3.06 3.33 -0.88 3.97 5.04 0.97 -4.97 117.35 127.87 2hfq s TYR 79 Ca 0.26 0.59 -0.25 0.00 -2.44 0.00 0.00 57.07 55.23 2hfq s TYR 79 Cb -0.13 -2.58 0.01 0.00 0.35 0.00 0.00 41.96 39.60 2hfq s TYR 79 CO 0.20 -0.11 1.61 0.15 -1.34 0.00 0.00 175.55 176.06 2hfq s LYS 80 N 1.68 3.10 0.00 4.97 1.02 -1.26 -0.31 119.74 128.94 2hfq s LYS 80 Ca 0.19 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.68 2hfq s LYS 80 Cb -0.15 -4.93 0.00 0.00 -0.52 0.00 0.00 37.83 32.23 2hfq s LYS 80 CO 0.09 -2.59 0.92 -0.12 -0.92 0.00 0.00 175.35 172.72 2hfq n MET 81 N 9.01 0.00 0.00 1.68 0.00 -1.25 -4.53 117.12 122.03 2hfq n MET 81 Ca 0.28 0.57 0.00 0.00 -0.00 0.00 0.00 57.70 58.55 2hfq n MET 81 Cb 0.50 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 32.30 2hfq n MET 81 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2hfq n GLU 82 N -2.03 0.16 -3.27 2.12 4.07 -1.07 -5.00 120.64 115.62 2hfq n GLU 82 Ca 0.00 -0.40 -0.46 0.00 -0.06 0.00 0.00 57.16 56.24 2hfq n GLU 82 Cb 0.00 -0.55 -0.02 0.00 -0.06 0.00 0.00 31.44 30.81 2hfq n GLU 82 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2hfq s GLY 83 N -0.06 2.67 -0.11 8.31 0.00 -1.14 -4.66 107.32 112.33 2hfq s GLY 83 Ca 0.00 -3.35 0.22 0.00 0.00 0.00 0.00 44.72 41.59 2hfq s GLY 83 CO 0.00 1.40 1.16 0.00 0.00 0.00 0.00 173.10 175.65