#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 2.62 -0.06 2.12 -1.52 -1.26 -1.28 119.66 120.27 2hfq s GLN 2 Ca 0.00 -1.15 -0.27 0.00 -1.95 0.00 0.00 55.36 52.00 2hfq s GLN 2 Cb 0.00 -3.19 -0.03 0.00 -0.22 0.00 0.00 33.01 29.57 2hfq s GLN 2 CO 0.00 -0.56 0.85 0.96 -0.25 0.00 0.00 175.29 176.29 2hfq s ILE 3 N 1.32 4.93 -0.49 1.08 -4.36 0.33 -4.66 121.20 119.34 2hfq s ILE 3 Ca -0.03 1.75 -0.22 0.00 -0.26 0.00 0.00 60.65 61.90 2hfq s ILE 3 Cb -0.19 -4.18 0.04 0.00 1.25 0.00 0.00 42.46 39.38 2hfq s ILE 3 CO -0.01 0.16 0.75 -1.00 0.24 0.00 0.00 174.94 175.08 2hfq s HIS 4 N 1.22 2.96 -0.41 1.37 3.76 0.11 -1.90 115.29 122.39 2hfq s HIS 4 Ca 0.44 -0.14 -0.24 0.00 -0.15 0.00 0.00 55.06 54.97 2hfq s HIS 4 Cb -0.19 -3.68 0.02 0.00 1.11 0.00 0.00 32.58 29.84 2hfq s HIS 4 CO 0.21 -1.08 0.82 0.08 -0.85 0.00 0.00 174.74 173.91 2hfq s VAL 5 N 3.19 4.65 -0.38 -0.90 1.01 0.12 -2.58 120.40 125.52 2hfq s VAL 5 Ca 0.24 0.75 -0.19 0.00 0.00 0.00 0.00 61.98 62.78 2hfq s VAL 5 Cb -0.15 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 31.95 2hfq s VAL 5 CO 0.18 -0.60 0.55 -0.31 0.00 0.00 0.00 175.10 174.92 2hfq s TYR 6 N 3.30 3.14 -0.78 5.22 1.51 -0.08 -0.61 117.35 129.05 2hfq s TYR 6 Ca 0.32 0.07 -0.26 0.00 -1.01 0.00 0.00 57.07 56.20 2hfq s TYR 6 Cb -0.12 -3.06 -0.00 0.00 -0.11 0.00 0.00 41.96 38.67 2hfq s TYR 6 CO 0.20 -0.66 1.65 0.34 -1.11 0.00 0.00 175.55 175.97 2hfq s ASP 7 N 1.84 5.70 -0.21 2.29 2.15 0.98 -2.44 116.67 126.97 2hfq s ASP 7 Ca 0.20 -0.41 -0.06 0.00 0.43 0.00 0.00 52.55 52.70 2hfq s ASP 7 Cb -0.15 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.89 2hfq s ASP 7 CO 0.15 -2.16 0.03 -0.89 -0.17 0.00 0.00 175.17 172.13 2hfq s THR 8 N 7.66 4.16 -0.30 1.71 2.01 -1.20 0.23 115.64 129.90 2hfq s THR 8 Ca 0.55 -0.24 -0.09 0.00 0.31 0.00 0.00 61.69 62.23 2hfq s THR 8 Cb -0.08 -2.90 -0.00 0.00 0.01 0.00 0.00 72.50 69.53 2hfq s THR 8 CO 0.09 0.40 0.13 -0.31 -0.69 0.00 0.00 174.62 174.24 2hfq s TYR 9 N 1.13 3.16 -0.34 4.92 2.02 0.28 -2.87 117.35 125.65 2hfq s TYR 9 Ca 0.03 -0.70 -0.08 0.00 -0.37 0.00 0.00 57.07 55.95 2hfq s TYR 9 Cb -0.14 -2.32 0.03 0.00 -0.40 0.00 0.00 41.96 39.12 2hfq s TYR 9 CO 0.02 -0.49 0.13 0.08 -1.57 0.00 0.00 175.55 173.72 2hfq s VAL 10 N 1.58 4.10 -1.25 0.71 1.01 0.36 -4.67 120.40 122.23 2hfq s VAL 10 Ca 0.04 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 2hfq s VAL 10 Cb -0.17 -3.25 0.10 0.00 0.00 0.00 0.00 36.38 33.06 2hfq s VAL 10 CO 0.05 -0.12 1.63 -0.54 0.00 0.00 0.00 175.10 176.12 2hfq s LYS 11 N 1.48 3.98 -0.10 2.72 3.01 -1.26 -0.23 119.74 129.35 2hfq s LYS 11 Ca 0.01 -2.09 -0.26 0.00 -1.01 0.00 0.00 55.97 52.62 2hfq s LYS 11 Cb -0.19 -5.39 -0.02 0.00 -1.01 0.00 0.00 37.83 31.21 2hfq s LYS 11 CO 0.04 -2.12 0.84 0.00 0.51 0.00 0.00 175.35 174.62 2hfq s ALA 12 N 3.57 3.38 0.40 5.17 0.00 -1.18 -4.56 121.76 128.53 2hfq s ALA 12 Ca 0.50 0.20 0.10 0.00 0.00 0.00 0.00 51.96 52.77 2hfq s ALA 12 Cb 0.02 -3.19 0.83 0.00 0.00 0.00 0.00 23.12 20.78 2hfq s ALA 12 CO 0.04 -0.39 1.93 1.57 0.00 0.00 0.00 175.76 178.92 2hfq h LYS 13 N 7.02 0.20 0.00 0.00 2.10 -1.93 -2.01 116.57 121.96 2hfq h LYS 13 Ca -0.35 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.24 2hfq h LYS 13 Cb 1.17 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2hfq h LYS 13 CO 0.80 0.34 -1.30 -0.25 -2.00 0.00 0.00 179.45 177.04 2hfq n ASP 14 N -4.29 3.60 -1.05 7.07 8.00 -1.26 -4.61 116.55 124.02 2hfq n ASP 14 Ca -0.01 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.59 2hfq n ASP 14 Cb 0.26 1.18 0.27 0.00 -0.02 0.00 0.00 41.12 42.80 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 2.23 1.60 0.65 0.44 0.00 -1.20 -5.06 105.19 103.85 2hfq n GLY 15 Ca -0.02 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 1.20 -1.75 -1.85 1.61 -0.00 -0.76 -4.38 115.22 109.29 2hfq n HIS 16 Ca 0.19 0.96 -0.38 0.00 0.46 0.00 0.00 57.72 58.96 2hfq n HIS 16 Cb 0.51 -1.65 -0.03 0.00 -0.12 0.00 0.00 29.99 28.69 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 -3.99 3.22 -0.08 3.57 1.01 -1.26 -3.12 120.40 119.75 2hfq s VAL 17 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 2hfq s VAL 17 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2hfq s VAL 17 CO 0.00 -0.55 0.80 -0.04 0.00 0.00 0.00 175.10 175.31 2hfq s MET 18 N 7.51 4.43 -0.15 2.72 -1.94 0.69 -4.67 119.30 127.88 2hfq s MET 18 Ca 0.79 1.04 -0.01 0.00 -1.71 0.00 0.00 55.69 55.80 2hfq s MET 18 Cb -0.14 -3.48 -0.01 0.00 2.01 0.00 0.00 34.83 33.20 2hfq s MET 18 CO 0.23 -0.07 -0.11 -1.58 -0.01 0.00 0.00 175.02 173.49 2hfq s HIS 19 N 1.21 2.86 0.14 -0.03 2.46 0.28 -0.49 115.29 121.73 2hfq s HIS 19 Ca 0.41 -0.70 -0.16 0.00 0.47 0.00 0.00 55.06 55.08 2hfq s HIS 19 Cb -0.18 -1.91 0.03 0.00 -0.13 0.00 0.00 32.58 30.39 2hfq s HIS 19 CO 0.19 -0.28 0.41 -0.59 -2.47 0.00 0.00 174.74 172.00 2hfq s PHE 20 N 0.60 -0.16 -0.30 3.88 -0.71 -1.14 -1.00 117.98 119.15 2hfq s PHE 20 Ca -0.06 -0.17 -0.15 0.00 -1.04 0.00 0.00 56.93 55.50 2hfq s PHE 20 Cb -0.15 0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 41.89 2hfq s PHE 20 CO 0.03 -0.73 0.39 -0.51 -1.34 0.00 0.00 175.22 173.06 2hfq s ASP 21 N -2.82 6.24 -0.55 1.98 1.01 0.35 -3.22 116.67 119.66 2hfq s ASP 21 Ca 0.05 0.09 -0.19 0.00 0.71 0.00 0.00 52.55 53.21 2hfq s ASP 21 Cb 0.02 -2.21 0.08 0.00 1.01 0.00 0.00 42.92 41.81 2hfq s ASP 21 CO -0.10 -0.27 0.66 -0.69 0.21 0.00 0.00 175.17 174.98 2hfq s VAL 22 N 2.10 4.85 -0.35 -1.27 1.01 -1.02 -0.76 120.40 124.96 2hfq s VAL 22 Ca 0.15 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 2hfq s VAL 22 Cb -0.16 -4.39 -0.00 0.00 0.00 0.00 0.00 36.38 31.83 2hfq s VAL 22 CO 0.11 -0.96 0.55 -0.36 0.00 0.00 0.00 175.10 174.44 2hfq s PHE 23 N 2.65 3.17 0.04 5.22 0.08 0.13 -0.91 117.98 128.36 2hfq s PHE 23 Ca 0.13 0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.39 2hfq s PHE 23 Cb -0.22 -2.98 -0.02 0.00 -0.57 0.00 0.00 43.02 39.24 2hfq s PHE 23 CO 0.09 -0.56 0.05 -0.08 -0.10 0.00 0.00 175.22 174.62 2hfq s THR 24 N 2.48 0.14 -0.76 0.64 -1.32 -1.06 -0.45 115.64 115.30 2hfq s THR 24 Ca 0.20 -1.16 0.25 0.00 -1.21 0.00 0.00 61.69 59.77 2hfq s THR 24 Cb -0.15 -0.86 0.04 0.00 -1.51 0.00 0.00 72.50 70.02 2hfq s THR 24 CO 0.14 -0.64 1.37 -0.90 -2.21 0.00 0.00 174.62 172.38 2hfq n ASP 25 N 0.85 0.60 -4.47 8.08 5.75 -1.26 0.04 116.55 126.14 2hfq n ASP 25 Ca -0.19 0.02 -0.43 0.00 -0.01 0.00 0.00 54.79 54.18 2hfq n ASP 25 Cb 0.58 0.17 -0.08 0.00 -1.03 0.00 0.00 41.12 40.75 2hfq n ASP 25 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2hfq s VAL 26 N -3.11 5.08 -1.09 2.12 1.01 -1.26 -4.84 120.40 118.32 2hfq s VAL 26 Ca 0.08 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 2hfq s VAL 26 Cb 0.15 -4.07 0.12 0.00 0.00 0.00 0.00 36.38 32.58 2hfq s VAL 26 CO 0.71 -0.47 1.38 -0.60 0.00 0.00 0.00 175.10 176.12 2hfq s ARG 27 N 2.13 3.80 -0.04 2.72 3.52 -1.26 -4.78 118.95 125.04 2hfq s ARG 27 Ca 0.11 -1.90 0.00 0.00 -0.13 0.00 0.00 55.73 53.81 2hfq s ARG 27 Cb -0.18 -5.15 0.03 0.00 -1.56 0.00 0.00 34.95 28.09 2hfq s ARG 27 CO 0.13 -1.94 -0.01 0.34 -0.81 0.00 0.00 175.30 173.01 2hfq s ASP 28 N 3.78 0.74 0.29 -2.12 -1.08 -1.26 -5.04 116.67 111.98 2hfq s ASP 28 Ca 0.42 -0.06 -0.01 0.00 -0.52 0.00 0.00 52.55 52.38 2hfq s ASP 28 Cb -0.02 -0.31 0.48 0.00 -1.46 0.00 0.00 42.92 41.61 2hfq s ASP 28 CO -0.04 -0.10 1.91 -0.78 0.52 0.00 0.00 175.17 176.68 2hfq h ASP 29 N 7.39 0.95 0.20 -0.34 3.58 -2.00 -0.87 116.42 125.34 2hfq h ASP 29 Ca -0.37 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.73 2hfq h ASP 29 Cb 1.14 -0.20 0.02 0.00 1.72 0.00 0.00 39.33 42.00 2hfq h ASP 29 CO 0.44 0.62 -1.66 0.11 -2.88 0.00 0.00 179.24 175.87 2hfq h LYS 30 N 1.09 0.43 -0.37 0.28 1.57 -1.99 -3.25 116.57 114.32 2hfq h LYS 30 Ca 0.39 -0.74 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 2hfq h LYS 30 Cb 0.14 0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2hfq h LYS 30 CO -0.14 1.35 -0.09 0.87 -0.57 0.00 0.00 179.45 180.88 2hfq h LYS 31 N 0.10 0.64 -0.18 3.15 1.79 -1.90 0.73 116.57 120.89 2hfq h LYS 31 Ca -0.32 -0.19 0.02 0.00 -2.18 0.00 0.00 60.65 57.99 2hfq h LYS 31 Cb 2.10 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 32.66 2hfq h LYS 31 CO 0.20 0.72 0.03 0.00 -1.08 0.00 0.00 179.45 179.32 2hfq h ALA 32 N 1.32 0.18 -0.42 3.86 0.00 -1.27 0.12 119.26 123.05 2hfq h ALA 32 Ca 0.11 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2hfq h ALA 32 Cb 0.50 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2hfq h ALA 32 CO 0.03 -0.41 0.14 0.82 0.00 0.00 0.00 179.25 179.84 2hfq h ILE 33 N 0.10 1.21 -0.22 0.00 2.04 -1.53 -2.32 117.51 116.80 2hfq h ILE 33 Ca 0.08 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.31 2hfq h ILE 33 Cb 0.08 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 2hfq h ILE 33 CO -0.12 0.24 -0.06 -0.08 0.00 0.00 0.00 178.15 178.14 2hfq h GLU 34 N 0.53 -0.00 -0.80 2.37 4.57 -0.43 0.27 114.58 121.09 2hfq h GLU 34 Ca 0.14 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 2hfq h GLU 34 Cb 0.23 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 2hfq h GLU 34 CO -0.01 -0.00 0.44 0.74 -1.18 0.00 0.00 179.01 179.00 2hfq h PHE 35 N -0.00 1.10 -0.52 0.92 0.04 -0.68 0.16 116.94 117.96 2hfq h PHE 35 Ca 0.11 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 2hfq h PHE 35 Cb 0.16 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 2hfq h PHE 35 CO -0.23 0.77 0.14 0.00 -0.60 0.00 0.00 178.31 178.39 2hfq h ALA 36 N 1.23 0.69 0.00 2.45 0.00 -0.90 -2.62 119.26 120.11 2hfq h ALA 36 Ca 0.28 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2hfq h ALA 36 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2hfq h ALA 36 CO -0.05 0.37 -0.30 0.87 0.00 0.00 0.00 179.25 180.14 2hfq h LYS 37 N 0.73 0.00 -0.77 0.00 1.57 -0.51 -1.45 116.57 116.13 2hfq h LYS 37 Ca 0.17 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2hfq h LYS 37 Cb 0.31 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 2hfq h LYS 37 CO -0.00 0.30 0.36 1.96 -0.57 0.00 0.00 179.45 181.50 2hfq h GLN 38 N 0.00 1.12 -0.35 3.15 4.20 -0.46 0.18 115.11 122.95 2hfq h GLN 38 Ca -0.00 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 2hfq h GLN 38 Cb 1.08 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 2hfq h GLN 38 CO 0.04 0.87 -0.03 2.35 -0.67 0.00 0.00 178.83 181.39 2hfq h TRP 39 N 1.09 0.70 -0.92 2.96 7.01 -1.15 -1.99 115.95 123.65 2hfq h TRP 39 Ca 0.26 -0.13 0.05 0.00 2.11 0.00 0.00 58.89 61.18 2hfq h TRP 39 Cb 0.13 -0.18 -0.06 0.00 -2.10 0.00 0.00 29.16 26.95 2hfq h TRP 39 CO 0.01 0.77 0.59 -0.07 -2.79 0.00 0.00 178.44 176.94 2hfq h LEU 40 N 0.43 0.95 -1.15 0.65 3.38 -0.91 -0.43 115.31 118.22 2hfq h LEU 40 Ca 0.09 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2hfq h LEU 40 Cb 0.51 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2hfq h LEU 40 CO 0.02 0.62 -0.25 0.28 0.09 0.00 0.00 178.44 179.20 2hfq h SER 41 N 1.09 0.00 1.03 -0.43 0.02 -0.51 0.12 113.55 114.88 2hfq h SER 41 Ca 0.39 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.14 2hfq h SER 41 Cb 0.11 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 2hfq h SER 41 CO -0.15 0.25 -0.99 0.28 -1.14 0.00 0.00 176.83 175.08 2hfq h SER 42 N 0.00 0.00 -0.03 3.07 0.02 -0.36 -3.19 113.55 113.07 2hfq h SER 42 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hfq h SER 42 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2hfq h SER 42 CO 0.03 0.90 0.00 2.30 -1.14 0.00 0.00 176.83 178.92 2hfq n ILE 43 N -3.29 0.01 -1.47 3.27 -5.35 -0.42 -4.94 119.36 107.17 2hfq n ILE 43 Ca -0.01 -0.36 -0.03 0.00 -0.27 0.00 0.00 62.75 62.08 2hfq n ILE 43 Cb 0.91 0.91 -0.01 0.00 -1.74 0.00 0.00 39.64 39.72 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 1.25 0.45 0.00 3.28 0.00 -0.82 -4.98 105.19 104.37 2hfq n GLY 44 Ca 0.17 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2hfq n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2hfq n GLU 45 N -2.25 0.00 -1.32 1.61 0.00 0.37 -4.90 120.64 114.16 2hfq n GLU 45 Ca -0.03 0.22 -0.11 0.00 0.00 0.00 0.00 57.16 57.24 2hfq n GLU 45 Cb 0.26 -0.77 -0.05 0.00 0.00 0.00 0.00 31.44 30.89 2hfq n GLU 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2hfq n GLU 46 N -1.16 -1.68 -0.04 5.31 1.02 -1.21 -4.73 120.64 118.14 2hfq n GLU 46 Ca 0.00 0.88 -0.07 0.00 -0.02 0.00 0.00 57.16 57.96 2hfq n GLU 46 Cb 0.00 -5.30 -0.04 0.00 -0.02 0.00 0.00 31.44 26.08 2hfq n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hfq n GLY 47 N 0.20 -0.12 3.64 0.62 0.00 -1.26 -4.97 105.19 103.30 2hfq n GLY 47 Ca -0.11 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.16 3.34 -0.36 4.61 0.00 -1.26 -4.94 121.76 120.99 2hfq s ALA 48 Ca -0.11 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.19 2hfq s ALA 48 Cb 0.03 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2hfq s ALA 48 CO 0.18 -1.83 1.40 0.99 0.00 0.00 0.00 175.76 176.49 2hfq s THR 49 N 5.04 3.96 -0.39 0.00 2.01 -1.26 -4.98 115.64 120.02 2hfq s THR 49 Ca 0.74 1.03 -0.14 0.00 0.31 0.00 0.00 61.69 63.63 2hfq s THR 49 Cb -0.28 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 68.10 2hfq s THR 49 CO 0.30 -0.62 0.27 -0.69 -0.69 0.00 0.00 174.62 173.19 2hfq s VAL 50 N 5.08 5.11 0.00 3.82 1.01 -1.26 -4.91 120.40 129.26 2hfq s VAL 50 Ca 0.61 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2hfq s VAL 50 Cb -0.16 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2hfq s VAL 50 CO 0.29 -0.24 0.00 0.35 0.00 0.00 0.00 175.10 175.50 2hfq n THR 51 N 5.12 0.00 0.57 3.92 -2.24 -1.26 -4.91 114.28 115.47 2hfq n THR 51 Ca -0.11 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.76 2hfq n THR 51 Cb 0.47 -0.74 0.41 0.00 -2.10 0.00 0.00 70.33 68.37 2hfq n THR 51 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2hfq n SER 52 N -2.25 0.20 0.07 3.42 2.88 -1.26 -0.89 113.62 115.79 2hfq n SER 52 Ca 0.00 0.54 -0.14 0.00 -1.33 0.00 0.00 58.87 57.94 2hfq n SER 52 Cb 0.00 -0.59 -0.14 0.00 -0.75 0.00 0.00 64.21 62.74 2hfq n SER 52 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2hfq h GLU 53 N 0.00 0.19 0.05 -1.46 4.39 -1.99 -3.34 114.58 112.42 2hfq h GLU 53 Ca 0.00 -0.33 -0.11 0.00 0.34 0.00 0.00 59.36 59.26 2hfq h GLU 53 Cb 0.35 0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2hfq h GLU 53 CO 0.00 1.07 -0.47 0.93 -1.16 0.00 0.00 179.01 179.38 2hfq h GLU 54 N 0.05 0.24 -4.56 2.33 3.07 -1.70 -3.39 114.58 110.62 2hfq h GLU 54 Ca -0.18 -0.32 -0.73 0.00 -0.50 0.00 0.00 59.36 57.64 2hfq h GLU 54 Cb 1.96 0.10 -0.21 0.00 -0.84 0.00 0.00 28.75 29.77 2hfq h GLU 54 CO 0.16 1.08 0.46 0.00 -1.40 0.00 0.00 179.01 179.31 2hfq s ARG 56 N 1.80 2.56 -0.38 0.00 0.52 0.13 -4.54 118.95 119.04 2hfq s ARG 56 Ca 0.24 -0.34 -0.14 0.00 -0.52 0.00 0.00 55.73 54.98 2hfq s ARG 56 Cb -0.10 -2.31 0.01 0.00 0.52 0.00 0.00 34.95 33.07 2hfq s ARG 56 CO -0.07 -0.87 0.26 0.12 0.02 0.00 0.00 175.30 174.76 2hfq s PHE 57 N -2.99 3.23 -0.04 -0.53 5.36 -1.26 -0.01 117.98 121.74 2hfq s PHE 57 Ca 0.57 -0.49 -0.00 0.00 -0.96 0.00 0.00 56.93 56.04 2hfq s PHE 57 Cb -0.11 -2.52 -0.00 0.00 -0.34 0.00 0.00 43.02 40.05 2hfq s PHE 57 CO 0.43 -0.51 0.00 0.00 -1.46 0.00 0.00 175.22 173.68 2hfq n HIS 59 N -3.11 -0.65 -4.50 0.00 1.44 -1.08 -5.01 115.22 102.31 2hfq n HIS 59 Ca -0.00 -0.79 -0.23 0.00 -2.01 0.00 0.00 57.72 54.68 2hfq n HIS 59 Cb 0.00 0.37 -0.16 0.00 0.12 0.00 0.00 29.99 30.32 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 -3.39 1.56 0.23 4.39 0.01 -1.26 0.16 113.70 115.40 2hfq s SER 60 Ca 0.25 -0.25 -0.05 0.00 1.31 0.00 0.00 55.95 57.20 2hfq s SER 60 Cb -0.01 -0.69 -0.02 0.00 0.21 0.00 0.00 66.02 65.51 2hfq s SER 60 CO 0.01 0.03 0.28 -1.83 0.41 0.00 0.00 173.24 172.14 2hfq s GLU 61 N 0.63 1.39 -0.02 12.44 -1.05 -0.80 -4.94 118.70 126.35 2hfq s GLU 61 Ca -0.12 -1.51 -0.30 0.00 -0.15 0.00 0.00 54.97 52.89 2hfq s GLU 61 Cb -0.15 0.36 -0.05 0.00 -0.44 0.00 0.00 34.13 33.85 2hfq s GLU 61 CO 0.03 -0.52 1.41 0.21 0.95 0.00 0.00 175.26 177.34 2hfq s LYS 62 N -4.02 4.27 0.14 -4.83 2.20 -1.26 -0.51 119.74 115.72 2hfq s LYS 62 Ca 0.32 1.96 -0.30 0.00 -0.36 0.00 0.00 55.97 57.60 2hfq s LYS 62 Cb 0.04 -3.62 -0.06 0.00 -1.51 0.00 0.00 37.83 32.67 2hfq s LYS 62 CO 0.12 -0.61 0.96 0.00 -0.36 0.00 0.00 175.35 175.46 2hfq s ALA 63 N 2.63 3.27 0.47 3.13 0.00 -0.40 -4.87 121.76 125.98 2hfq s ALA 63 Ca 0.64 0.60 -0.21 0.00 0.00 0.00 0.00 51.96 52.99 2hfq s ALA 63 Cb -0.31 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 2hfq s ALA 63 CO 0.26 0.01 1.03 -1.25 0.00 0.00 0.00 175.76 175.81 2hfq s PRO 64 N -0.23 3.89 0.57 0.00 0.04 -1.26 -4.92 135.00 133.08 2hfq s PRO 64 Ca 0.46 1.37 0.27 0.00 0.04 0.00 0.00 61.00 63.14 2hfq s PRO 64 Cb -0.24 -2.17 1.51 0.00 0.04 0.00 0.00 34.50 33.64 2hfq s PRO 64 CO 0.30 -0.36 2.02 0.22 0.04 0.00 0.00 177.00 179.23 2hfq h ASP 65 N 1.73 0.00 -0.95 6.66 3.58 -2.00 -1.75 116.42 123.69 2hfq h ASP 65 Ca -0.49 0.00 0.16 0.00 0.42 0.00 0.00 57.03 57.12 2hfq h ASP 65 Cb 1.22 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.17 2hfq h ASP 65 CO 0.60 0.00 0.56 -0.08 -2.88 0.00 0.00 179.24 177.43 2hfq h GLU 66 N 0.00 0.75 0.00 0.28 4.57 -2.04 -1.81 114.58 116.34 2hfq h GLU 66 Ca 0.17 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2hfq h GLU 66 Cb 0.80 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2hfq h GLU 66 CO -0.00 0.50 -1.05 1.33 -1.18 0.00 0.00 179.01 178.60 2hfq n VAL 67 N -4.77 0.03 -0.00 0.32 0.24 -0.67 -4.40 118.33 109.07 2hfq n VAL 67 Ca 0.20 -0.09 -0.11 0.00 -2.04 0.00 0.00 64.34 62.29 2hfq n VAL 67 Cb 0.47 0.67 -0.06 0.00 -1.47 0.00 0.00 33.84 33.45 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 1.09 0.00 1.34 1.08 -1.19 -0.71 117.51 119.12 2hfq h ILE 68 Ca 0.00 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 2hfq h ILE 68 Cb 0.59 1.11 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 2hfq h ILE 68 CO 0.00 0.08 -0.03 1.05 -0.69 0.00 0.00 178.15 178.56 2hfq h GLU 69 N 0.03 0.00 0.00 2.37 4.11 -1.76 -0.45 114.58 118.88 2hfq h GLU 69 Ca 0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.41 2hfq h GLU 69 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2hfq h GLU 69 CO -0.00 0.03 -0.32 0.00 0.07 0.00 0.00 179.01 178.79 2hfq h ALA 70 N 1.97 0.05 -0.24 1.06 0.00 -1.71 -3.27 119.26 117.12 2hfq h ALA 70 Ca -0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2hfq h ALA 70 Cb 0.06 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2hfq h ALA 70 CO 0.00 0.21 -0.09 0.82 0.00 0.00 0.00 179.25 180.19 2hfq h ILE 71 N -1.00 1.20 0.00 0.00 2.04 -1.02 -0.57 117.51 118.16 2hfq h ILE 71 Ca -0.07 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2hfq h ILE 71 Cb 0.67 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2hfq h ILE 71 CO -0.04 0.28 0.00 1.17 0.00 0.00 0.00 178.15 179.56 2hfq n LYS 72 N -4.25 0.14 -0.04 2.37 4.81 -0.19 -1.70 118.16 119.30 2hfq n LYS 72 Ca 0.00 0.26 -0.04 0.00 -0.87 0.00 0.00 58.31 57.67 2hfq n LYS 72 Cb 0.28 -1.72 -0.01 0.00 0.02 0.00 0.00 35.03 33.60 2hfq n LYS 72 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2hfq n GLN 73 N -1.98 0.23 -0.05 1.64 7.27 -0.36 -4.83 117.38 119.31 2hfq n GLN 73 Ca 0.04 0.16 -0.21 0.00 0.07 0.00 0.00 57.00 57.06 2hfq n GLN 73 Cb 0.29 -0.99 -0.13 0.00 2.41 0.00 0.00 30.24 31.83 2hfq n GLN 73 CO 0.00 0.00 0.00 -2.95 0.07 0.00 0.00 177.06 174.18 2hfq h ASN 74 N -0.45 0.18 0.00 1.69 7.08 -1.31 -3.49 115.58 119.28 2hfq h ASN 74 Ca 0.00 -0.71 0.00 0.00 -3.08 0.00 0.00 56.30 52.51 2hfq h ASN 74 Cb 0.40 -0.06 0.00 0.00 -2.08 0.00 0.00 38.32 36.58 2hfq h ASN 74 CO 0.00 1.58 0.00 0.61 -2.08 0.00 0.00 177.43 177.54 2hfq n GLY 75 N 1.64 1.07 3.26 9.14 0.00 -0.69 -5.04 105.19 114.57 2hfq n GLY 75 Ca -0.29 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.58 -0.66 -0.29 1.61 1.13 -1.26 -4.38 117.35 111.91 2hfq s TYR 76 Ca 0.00 1.36 -0.07 0.00 -1.41 0.00 0.00 57.07 56.95 2hfq s TYR 76 Cb 0.00 0.27 0.01 0.00 -1.10 0.00 0.00 41.96 41.13 2hfq s TYR 76 CO 0.00 -0.39 0.08 0.12 -2.51 0.00 0.00 175.55 172.85 2hfq s PHE 77 N 1.86 3.14 -0.41 -3.49 5.36 0.40 -4.76 117.98 120.09 2hfq s PHE 77 Ca -0.06 -0.93 -0.19 0.00 -0.96 0.00 0.00 56.93 54.78 2hfq s PHE 77 Cb -0.10 -2.26 0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2hfq s PHE 77 CO -0.13 -0.56 0.55 0.42 -1.46 0.00 0.00 175.22 174.04 2hfq s ILE 78 N 1.51 4.95 -0.42 3.12 -1.09 -1.26 -0.69 121.20 127.32 2hfq s ILE 78 Ca 0.03 0.03 -0.12 0.00 -2.23 0.00 0.00 60.65 58.36 2hfq s ILE 78 Cb -0.17 -4.10 0.05 0.00 -1.58 0.00 0.00 42.46 36.66 2hfq s ILE 78 CO 0.03 -0.45 0.29 -0.47 -1.23 0.00 0.00 174.94 173.10 2hfq s TYR 79 N 2.51 3.27 -0.63 3.97 5.04 0.06 -4.97 117.35 126.60 2hfq s TYR 79 Ca 0.18 -1.04 -0.27 0.00 -2.44 0.00 0.00 57.07 53.51 2hfq s TYR 79 Cb -0.15 -2.80 -0.01 0.00 0.35 0.00 0.00 41.96 39.35 2hfq s TYR 79 CO 0.16 -0.73 1.71 0.15 -1.34 0.00 0.00 175.55 175.49 2hfq s LYS 80 N 1.57 2.80 -0.00 4.97 1.02 -1.26 -0.49 119.74 128.34 2hfq s LYS 80 Ca 0.03 0.43 -0.07 0.00 0.02 0.00 0.00 55.97 56.38 2hfq s LYS 80 Cb -0.22 -4.32 -0.04 0.00 -0.52 0.00 0.00 37.83 32.73 2hfq s LYS 80 CO 0.06 -2.54 0.65 0.52 -0.92 0.00 0.00 175.35 173.11 2hfq h MET 81 N 13.61 -0.25 -1.77 1.68 2.86 -1.84 -3.47 114.93 125.74 2hfq h MET 81 Ca -0.27 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.48 2hfq h MET 81 Cb 1.13 0.06 -0.21 0.00 0.06 0.00 0.00 31.60 32.64 2hfq h MET 81 CO 1.23 -0.17 -0.10 -1.83 1.06 0.00 0.00 176.91 177.10 2hfq s GLU 82 N -2.73 0.54 0.00 1.72 -1.05 -0.17 -5.03 118.70 111.98 2hfq s GLU 82 Ca -0.04 1.32 0.00 0.00 -0.15 0.00 0.00 54.97 56.10 2hfq s GLU 82 Cb 0.00 0.79 0.00 0.00 -0.44 0.00 0.00 34.13 34.49 2hfq s GLU 82 CO 0.11 -0.23 0.00 0.41 0.95 0.00 0.00 175.26 176.51 2hfq n GLY 83 N 5.39 -0.29 3.54 -3.83 0.00 -1.26 -0.55 105.19 108.19 2hfq n GLY 83 Ca -0.11 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32