#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 -0.62 3.17 -0.21 -1.26 -3.09 119.66 121.23 2hfq s GLN 2 Ca 0.00 -0.53 -0.26 0.00 0.02 0.00 0.00 55.36 54.59 2hfq s GLN 2 Cb 0.00 -3.18 0.04 0.00 1.00 0.00 0.00 33.01 30.86 2hfq s GLN 2 CO 0.00 -0.14 1.12 0.96 -2.12 0.00 0.00 175.29 175.11 2hfq s ILE 3 N 1.43 4.08 -0.46 1.08 -4.36 -0.66 -3.90 121.20 118.42 2hfq s ILE 3 Ca 0.05 0.50 -0.28 0.00 -0.26 0.00 0.00 60.65 60.66 2hfq s ILE 3 Cb -0.15 -4.71 -0.00 0.00 1.25 0.00 0.00 42.46 38.85 2hfq s ILE 3 CO 0.01 -1.41 1.59 -1.00 0.24 0.00 0.00 174.94 174.37 2hfq s HIS 4 N 4.77 2.10 -0.24 1.37 3.76 0.14 -2.59 115.29 124.59 2hfq s HIS 4 Ca 0.36 0.62 -0.24 0.00 -0.15 0.00 0.00 55.06 55.65 2hfq s HIS 4 Cb -0.10 -4.25 -0.01 0.00 1.11 0.00 0.00 32.58 29.34 2hfq s HIS 4 CO 0.20 -2.30 0.82 0.08 -0.85 0.00 0.00 174.74 172.70 2hfq s VAL 5 N 6.54 4.84 -0.34 -0.90 1.01 0.08 -2.50 120.40 129.13 2hfq s VAL 5 Ca 0.65 1.56 -0.03 0.00 0.00 0.00 0.00 61.98 64.17 2hfq s VAL 5 Cb -0.15 -4.11 0.07 0.00 0.00 0.00 0.00 36.38 32.18 2hfq s VAL 5 CO 0.29 -0.07 0.08 -0.31 0.00 0.00 0.00 175.10 175.10 2hfq s TYR 6 N 2.80 3.38 -0.91 5.22 2.02 -0.19 -2.05 117.35 127.62 2hfq s TYR 6 Ca 0.35 -2.02 -0.24 0.00 -0.37 0.00 0.00 57.07 54.78 2hfq s TYR 6 Cb -0.15 -2.51 -0.03 0.00 -0.40 0.00 0.00 41.96 38.87 2hfq s TYR 6 CO 0.08 -0.85 1.84 -0.51 -1.57 0.00 0.00 175.55 174.53 2hfq s ASP 7 N 1.45 5.43 -0.34 2.29 1.11 0.18 -2.23 116.67 124.55 2hfq s ASP 7 Ca -0.00 -0.78 -0.17 0.00 0.18 0.00 0.00 52.55 51.77 2hfq s ASP 7 Cb -0.21 -2.56 -0.01 0.00 1.07 0.00 0.00 42.92 41.21 2hfq s ASP 7 CO -0.02 -2.47 0.48 -0.89 1.18 0.00 0.00 175.17 173.44 2hfq s THR 8 N 8.98 5.06 -0.58 -1.27 2.01 -1.18 -0.75 115.64 127.92 2hfq s THR 8 Ca 0.65 0.34 -0.15 0.00 0.31 0.00 0.00 61.69 62.84 2hfq s THR 8 Cb -0.06 -3.91 0.14 0.00 0.01 0.00 0.00 72.50 68.69 2hfq s THR 8 CO -0.02 -0.15 0.53 -0.31 -0.69 0.00 0.00 174.62 173.98 2hfq s TYR 9 N 2.30 3.35 -0.36 4.92 1.51 0.13 -2.69 117.35 126.50 2hfq s TYR 9 Ca 0.17 -1.47 -0.14 0.00 -1.01 0.00 0.00 57.07 54.62 2hfq s TYR 9 Cb -0.16 -3.77 -0.01 0.00 -0.11 0.00 0.00 41.96 37.92 2hfq s TYR 9 CO 0.12 -1.01 0.28 0.08 -1.11 0.00 0.00 175.55 173.91 2hfq s VAL 10 N 1.34 5.26 -0.15 0.71 1.01 0.25 -4.82 120.40 124.00 2hfq s VAL 10 Ca 0.06 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 2hfq s VAL 10 Cb -0.26 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2hfq s VAL 10 CO 0.01 -0.11 0.77 -0.54 0.00 0.00 0.00 175.10 175.23 2hfq s LYS 11 N 1.76 4.31 1.04 2.72 1.02 -1.26 0.29 119.74 129.61 2hfq s LYS 11 Ca 0.07 0.92 -0.15 0.00 0.02 0.00 0.00 55.97 56.83 2hfq s LYS 11 Cb -0.18 -3.55 0.21 0.00 -0.52 0.00 0.00 37.83 33.79 2hfq s LYS 11 CO 0.11 -0.24 1.13 0.00 -0.92 0.00 0.00 175.35 175.43 2hfq s ALA 12 N 1.86 1.19 0.02 5.17 0.00 -0.61 -4.79 121.76 124.60 2hfq s ALA 12 Ca 0.37 -0.68 -0.22 0.00 0.00 0.00 0.00 51.96 51.42 2hfq s ALA 12 Cb -0.17 -2.99 -0.16 0.00 0.00 0.00 0.00 23.12 19.81 2hfq s ALA 12 CO 0.13 -2.89 1.33 0.87 0.00 0.00 0.00 175.76 175.20 2hfq h LYS 13 N -1.98 0.25 0.00 0.00 1.57 -1.97 -3.40 116.57 111.05 2hfq h LYS 13 Ca -0.50 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 2hfq h LYS 13 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2hfq h LYS 13 CO 0.50 0.66 0.00 -0.40 -0.57 0.00 0.00 179.45 179.64 2hfq n ASP 14 N -4.65 0.00 0.00 0.86 5.68 -1.26 -5.05 116.55 112.13 2hfq n ASP 14 Ca -0.07 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 2hfq n ASP 14 Cb 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2hfq n ASP 14 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hfq n GLY 15 N 0.00 0.63 0.84 6.12 0.00 -1.26 -5.14 105.19 106.39 2hfq n GLY 15 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2hfq n GLY 15 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2hfq n HIS 16 N 0.00 -0.08 -3.26 1.61 1.44 -1.26 -4.92 115.22 108.75 2hfq n HIS 16 Ca 0.00 -0.70 -0.42 0.00 -2.01 0.00 0.00 57.72 54.60 2hfq n HIS 16 Cb 0.00 0.03 -0.08 0.00 0.12 0.00 0.00 29.99 30.06 2hfq n HIS 16 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2hfq s VAL 17 N -2.13 5.02 -0.68 0.61 1.01 -1.26 -1.57 120.40 121.40 2hfq s VAL 17 Ca 0.08 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 2hfq s VAL 17 Cb 0.00 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.43 2hfq s VAL 17 CO 0.05 -0.31 1.11 -0.04 0.00 0.00 0.00 175.10 175.92 2hfq s MET 18 N 2.36 3.18 -0.26 2.72 -1.94 0.15 -4.84 119.30 120.67 2hfq s MET 18 Ca 0.17 -0.48 -0.04 0.00 -1.71 0.00 0.00 55.69 53.63 2hfq s MET 18 Cb -0.16 -4.18 0.01 0.00 2.01 0.00 0.00 34.83 32.51 2hfq s MET 18 CO 0.14 -1.93 0.00 -3.38 -0.01 0.00 0.00 175.02 169.84 2hfq s HIS 19 N 4.83 3.07 0.11 -0.03 -3.43 -1.26 -0.58 115.29 118.01 2hfq s HIS 19 Ca 0.29 -1.15 0.04 0.00 -0.80 0.00 0.00 55.06 53.44 2hfq s HIS 19 Cb -0.12 -2.15 -0.04 0.00 -1.43 0.00 0.00 32.58 28.84 2hfq s HIS 19 CO 0.14 -0.62 -0.10 -0.59 -2.00 0.00 0.00 174.74 171.57 2hfq s PHE 20 N 1.44 1.15 -0.40 0.38 -0.71 -1.10 -3.90 117.98 114.84 2hfq s PHE 20 Ca 0.03 -0.69 -0.25 0.00 -1.04 0.00 0.00 56.93 54.98 2hfq s PHE 20 Cb -0.16 -0.61 0.02 0.00 -1.21 0.00 0.00 43.02 41.05 2hfq s PHE 20 CO -0.01 0.03 0.91 -0.51 -1.34 0.00 0.00 175.22 174.30 2hfq s ASP 21 N -2.68 6.60 -0.36 1.98 1.11 -0.85 -3.08 116.67 119.39 2hfq s ASP 21 Ca 0.09 0.39 -0.16 0.00 0.18 0.00 0.00 52.55 53.05 2hfq s ASP 21 Cb -0.01 -2.45 -0.00 0.00 1.07 0.00 0.00 42.92 41.53 2hfq s ASP 21 CO 0.00 -0.91 0.41 -0.69 1.18 0.00 0.00 175.17 175.16 2hfq s VAL 22 N 3.53 5.11 -0.26 -1.27 1.01 -0.95 -0.74 120.40 126.84 2hfq s VAL 22 Ca 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 2hfq s VAL 22 Cb -0.11 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2hfq s VAL 22 CO 0.21 -0.21 0.10 -0.36 0.00 0.00 0.00 175.10 174.85 2hfq s PHE 23 N 2.13 3.12 0.03 5.22 0.08 0.62 -1.02 117.98 128.16 2hfq s PHE 23 Ca 0.13 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.90 2hfq s PHE 23 Cb -0.16 -2.28 -0.02 0.00 -0.57 0.00 0.00 43.02 39.99 2hfq s PHE 23 CO 0.13 -0.32 -0.06 0.95 -0.10 0.00 0.00 175.22 175.82 2hfq s THR 24 N 1.65 0.40 -0.08 0.64 -4.23 -1.04 -1.08 115.64 111.90 2hfq s THR 24 Ca 0.06 -0.86 0.12 0.00 -1.18 0.00 0.00 61.69 59.83 2hfq s THR 24 Cb -0.15 -0.46 -0.24 0.00 1.34 0.00 0.00 72.50 72.99 2hfq s THR 24 CO 0.06 -0.31 0.53 -0.67 -0.54 0.00 0.00 174.62 173.68 2hfq n ASP 25 N 1.80 0.83 -4.69 3.99 2.03 -1.25 0.24 116.55 119.50 2hfq n ASP 25 Ca -0.21 0.32 -0.42 0.00 0.52 0.00 0.00 54.79 55.00 2hfq n ASP 25 Cb 0.56 0.05 -0.03 0.00 -0.72 0.00 0.00 41.12 40.98 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 -2.58 2.66 -1.27 5.18 1.01 -1.26 -4.85 120.40 119.28 2hfq s VAL 26 Ca -0.07 0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.83 2hfq s VAL 26 Cb 0.08 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.45 2hfq s VAL 26 CO 0.82 -0.00 1.73 -0.13 0.00 0.00 0.00 175.10 177.52 2hfq s ARG 27 N 2.93 3.87 -0.28 2.72 3.00 -1.26 -4.86 118.95 125.07 2hfq s ARG 27 Ca 0.81 -1.88 -0.20 0.00 0.00 0.00 0.00 55.73 54.46 2hfq s ARG 27 Cb -0.45 -5.51 0.08 0.00 0.00 0.00 0.00 34.95 29.08 2hfq s ARG 27 CO 0.36 -2.36 0.73 0.34 0.00 0.00 0.00 175.30 174.38 2hfq s ASP 28 N 4.43 -0.83 0.08 0.23 2.15 -1.26 -5.05 116.67 116.42 2hfq s ASP 28 Ca 0.54 1.43 -0.12 0.00 0.43 0.00 0.00 52.55 54.83 2hfq s ASP 28 Cb 0.03 1.39 -0.23 0.00 -0.30 0.00 0.00 42.92 43.81 2hfq s ASP 28 CO 0.07 -0.23 1.18 0.44 -0.17 0.00 0.00 175.17 176.45 2hfq h ASP 29 N 6.11 0.80 -0.45 -0.34 3.32 -2.01 -3.12 116.42 120.72 2hfq h ASP 29 Ca -0.29 -0.69 -0.04 0.00 0.02 0.00 0.00 57.03 56.03 2hfq h ASP 29 Cb 1.20 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2hfq h ASP 29 CO 0.12 1.49 0.13 0.50 -1.72 0.00 0.00 179.24 179.76 2hfq h LYS 30 N 0.30 0.71 -0.78 3.56 3.64 -1.99 -2.63 116.57 119.38 2hfq h LYS 30 Ca -0.14 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.14 2hfq h LYS 30 Cb 1.77 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 33.44 2hfq h LYS 30 CO 0.21 0.69 0.47 0.87 -2.27 0.00 0.00 179.45 179.42 2hfq h LYS 31 N 0.59 0.84 0.04 1.90 1.79 -1.96 0.45 116.57 120.23 2hfq h LYS 31 Ca 0.14 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2hfq h LYS 31 Cb 0.29 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 2hfq h LYS 31 CO -0.00 0.55 -0.10 0.00 -1.08 0.00 0.00 179.45 178.82 2hfq h ALA 32 N 1.38 -0.15 -0.51 3.86 0.00 -1.43 0.50 119.26 122.91 2hfq h ALA 32 Ca 0.34 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2hfq h ALA 32 Cb 0.17 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2hfq h ALA 32 CO -0.17 -0.61 0.15 0.82 0.00 0.00 0.00 179.25 179.44 2hfq h ILE 33 N -0.20 1.23 -0.10 0.00 2.04 -1.11 -1.75 117.51 117.64 2hfq h ILE 33 Ca 0.02 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.13 2hfq h ILE 33 Cb 0.22 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 2hfq h ILE 33 CO -0.07 0.29 -0.21 -0.08 0.00 0.00 0.00 178.15 178.08 2hfq h GLU 34 N 0.70 -0.27 -0.50 2.37 4.57 0.25 0.18 114.58 121.88 2hfq h GLU 34 Ca 0.16 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.24 2hfq h GLU 34 Cb 0.29 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2hfq h GLU 34 CO -0.00 -0.18 -0.18 0.74 -1.18 0.00 0.00 179.01 178.21 2hfq h PHE 35 N -0.28 1.13 -0.36 0.92 0.04 -0.83 -0.72 116.94 116.84 2hfq h PHE 35 Ca 0.09 -0.26 -0.02 0.00 2.80 0.00 0.00 57.97 60.58 2hfq h PHE 35 Cb 0.41 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 2hfq h PHE 35 CO -0.30 1.08 0.15 0.00 -0.60 0.00 0.00 178.31 178.64 2hfq h ALA 36 N 0.91 0.46 -0.16 2.45 0.00 -1.00 -2.55 119.26 119.37 2hfq h ALA 36 Ca 0.12 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2hfq h ALA 36 Cb 0.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2hfq h ALA 36 CO 0.06 0.05 -0.32 0.87 0.00 0.00 0.00 179.25 179.91 2hfq h LYS 37 N 0.43 0.32 -0.83 0.00 1.57 -0.43 0.73 116.57 118.37 2hfq h LYS 37 Ca 0.12 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2hfq h LYS 37 Cb 0.17 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2hfq h LYS 37 CO -0.01 0.62 0.55 1.96 -0.57 0.00 0.00 179.45 181.99 2hfq h GLN 38 N 0.28 1.10 -0.12 3.15 4.20 -0.95 0.40 115.11 123.16 2hfq h GLN 38 Ca 0.04 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 2hfq h GLN 38 Cb 0.71 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2hfq h GLN 38 CO 0.05 0.73 -0.23 2.35 -0.67 0.00 0.00 178.83 181.07 2hfq h TRP 39 N 1.13 0.47 -0.16 2.96 7.01 -0.95 -2.41 115.95 124.00 2hfq h TRP 39 Ca 0.30 -0.16 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 2hfq h TRP 39 Cb -0.12 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 26.84 2hfq h TRP 39 CO 0.00 0.84 -0.09 -0.07 -2.79 0.00 0.00 178.44 176.33 2hfq h LEU 40 N -0.04 0.22 -0.25 0.65 3.38 -0.44 -1.42 115.31 117.41 2hfq h LEU 40 Ca 0.01 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 2hfq h LEU 40 Cb 0.81 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2hfq h LEU 40 CO 0.05 0.35 -0.84 0.77 0.09 0.00 0.00 178.44 178.86 2hfq h SER 41 N 0.23 0.00 -0.44 -0.43 4.64 -0.24 0.10 113.55 117.41 2hfq h SER 41 Ca 0.05 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.27 2hfq h SER 41 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 2hfq h SER 41 CO 0.02 0.84 -0.09 0.28 -0.87 0.00 0.00 176.83 177.01 2hfq h SER 42 N 0.00 0.89 0.32 4.97 0.02 -0.76 -2.22 113.55 116.77 2hfq h SER 42 Ca -0.01 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2hfq h SER 42 Cb 1.52 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2hfq h SER 42 CO 0.11 1.00 -0.01 2.30 -1.14 0.00 0.00 176.83 179.09 2hfq n ILE 43 N -4.16 0.00 -2.02 3.27 -5.35 -0.74 -4.90 119.36 105.45 2hfq n ILE 43 Ca 0.02 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2hfq n ILE 43 Cb 0.37 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 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 1.18 0.93 0.02 3.28 0.00 -0.83 -4.98 105.19 104.78 2hfq n GLY 44 Ca 0.18 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.49 1.12 0.00 1.61 0.00 0.25 -5.00 120.64 118.12 2hfq n GLU 45 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.18 2hfq n GLU 45 Cb 0.41 -1.10 0.00 0.00 0.00 0.00 0.00 31.44 30.76 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 -2.49 0.00 -0.21 5.31 1.02 -0.58 -4.23 120.64 119.47 2hfq n GLU 46 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2hfq n GLU 46 Cb 0.60 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 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 -1.35 0.89 7.00 0.62 0.00 -1.26 -4.50 105.19 106.59 2hfq n GLY 47 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2hfq n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hfq n ALA 48 N -1.38 0.00 -2.66 4.61 0.00 -1.26 -4.11 120.51 115.71 2hfq n ALA 48 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2hfq n ALA 48 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2hfq n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2hfq s THR 49 N 0.00 4.65 -0.25 0.00 2.01 -1.26 -5.01 115.64 115.78 2hfq s THR 49 Ca 0.00 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.03 2hfq s THR 49 Cb 0.00 -4.38 0.06 0.00 0.01 0.00 0.00 72.50 68.19 2hfq s THR 49 CO 0.00 -0.88 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.28 2hfq s VAL 50 N 3.25 1.87 0.00 3.82 1.01 -1.26 -4.86 120.40 124.23 2hfq s VAL 50 Ca 0.24 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.74 2hfq s VAL 50 Cb -0.15 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.16 2hfq s VAL 50 CO 0.17 -0.09 0.00 0.41 0.00 0.00 0.00 175.10 175.59 2hfq n THR 51 N 4.54 0.00 0.73 3.92 -1.04 -1.26 -4.94 114.28 116.22 2hfq n THR 51 Ca -0.12 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.96 2hfq n THR 51 Cb 0.43 -0.27 0.39 0.00 -1.82 0.00 0.00 70.33 69.06 2hfq n THR 51 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2hfq n SER 52 N -0.63 0.00 -0.07 8.00 7.64 -1.26 -1.49 113.62 125.81 2hfq n SER 52 Ca 0.00 0.06 -0.18 0.00 1.01 0.00 0.00 58.87 59.76 2hfq n SER 52 Cb 0.00 -0.28 -0.13 0.00 -1.01 0.00 0.00 64.21 62.79 2hfq n SER 52 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2hfq h GLU 53 N 0.00 0.03 -0.20 1.43 4.39 -1.99 -3.38 114.58 114.87 2hfq h GLU 53 Ca 0.00 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.49 2hfq h GLU 53 Cb 0.14 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2hfq h GLU 53 CO 0.00 1.02 -0.55 0.93 -1.16 0.00 0.00 179.01 179.26 2hfq h GLU 54 N -0.93 0.59 -4.91 2.33 3.07 -1.82 -3.37 114.58 109.55 2hfq h GLU 54 Ca -0.17 -0.37 -0.68 0.00 -0.50 0.00 0.00 59.36 57.64 2hfq h GLU 54 Cb 1.20 0.04 -0.18 0.00 -0.84 0.00 0.00 28.75 28.97 2hfq h GLU 54 CO -0.08 0.98 0.36 0.00 -1.40 0.00 0.00 179.01 178.88 2hfq s ARG 56 N 2.92 3.70 -0.29 0.00 0.52 0.07 -4.63 118.95 121.24 2hfq s ARG 56 Ca 0.19 0.24 -0.29 0.00 -0.52 0.00 0.00 55.73 55.34 2hfq s ARG 56 Cb -0.18 -3.83 0.01 0.00 0.52 0.00 0.00 34.95 31.47 2hfq s ARG 56 CO 0.04 -0.89 1.16 0.12 0.02 0.00 0.00 175.30 175.75 2hfq s PHE 57 N 3.13 2.98 -0.20 -0.53 5.36 -1.26 0.49 117.98 127.96 2hfq s PHE 57 Ca 0.31 1.09 -0.17 0.00 -0.96 0.00 0.00 56.93 57.20 2hfq s PHE 57 Cb -0.13 -3.72 -0.07 0.00 -0.34 0.00 0.00 43.02 38.76 2hfq s PHE 57 CO 0.18 -1.15 -0.34 0.00 -1.46 0.00 0.00 175.22 172.46 2hfq s HIS 59 N -2.79 0.12 -0.08 0.00 -3.43 -1.25 -5.04 115.29 102.82 2hfq s HIS 59 Ca -0.30 -0.72 -0.01 0.00 -0.80 0.00 0.00 55.06 53.23 2hfq s HIS 59 Cb 0.06 0.80 0.03 0.00 -1.43 0.00 0.00 32.58 32.04 2hfq s HIS 59 CO 0.43 -1.38 -0.02 -1.12 -2.00 0.00 0.00 174.74 170.65 2hfq s SER 60 N -3.19 1.67 0.28 7.38 0.01 -1.26 -0.74 113.70 117.85 2hfq s SER 60 Ca 0.18 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.33 2hfq s SER 60 Cb -0.04 -0.54 -0.06 0.00 0.21 0.00 0.00 66.02 65.59 2hfq s SER 60 CO 0.10 -0.16 0.03 -1.83 0.41 0.00 0.00 173.24 171.79 2hfq s GLU 61 N 1.81 1.50 -0.19 12.44 -1.05 -1.07 -4.91 118.70 127.23 2hfq s GLU 61 Ca 0.04 -1.80 -0.29 0.00 -0.15 0.00 0.00 54.97 52.77 2hfq s GLU 61 Cb -0.12 -0.70 -0.04 0.00 -0.44 0.00 0.00 34.13 32.83 2hfq s GLU 61 CO -0.05 -0.16 1.82 0.21 0.95 0.00 0.00 175.26 178.02 2hfq s LYS 62 N -3.89 3.66 0.41 -4.83 2.36 -1.26 -1.65 119.74 114.54 2hfq s LYS 62 Ca 0.33 1.86 -0.25 0.00 -2.55 0.00 0.00 55.97 55.37 2hfq s LYS 62 Cb 0.07 -4.14 -0.08 0.00 -1.05 0.00 0.00 37.83 32.63 2hfq s LYS 62 CO 0.13 -1.47 1.17 0.00 1.55 0.00 0.00 175.35 176.72 2hfq s ALA 63 N 5.92 3.11 0.45 3.13 0.00 -1.18 -4.92 121.76 128.26 2hfq s ALA 63 Ca 0.81 0.95 -0.25 0.00 0.00 0.00 0.00 51.96 53.47 2hfq s ALA 63 Cb -0.29 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 2hfq s ALA 63 CO 0.33 -0.55 1.33 -2.14 0.00 0.00 0.00 175.76 174.73 2hfq s PRO 64 N -2.41 3.74 0.55 0.00 0.02 -1.26 -4.90 135.00 130.74 2hfq s PRO 64 Ca 0.59 2.20 0.27 0.00 0.02 0.00 0.00 61.00 64.08 2hfq s PRO 64 Cb -0.30 -2.62 1.60 0.00 0.02 0.00 0.00 34.50 33.21 2hfq s PRO 64 CO 0.37 -0.70 2.17 0.22 -0.33 0.00 0.00 177.00 178.73 2hfq h ASP 65 N 2.32 0.00 -0.46 2.53 3.58 -2.00 -2.08 116.42 120.31 2hfq h ASP 65 Ca -0.50 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.94 2hfq h ASP 65 Cb 1.26 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 2hfq h ASP 65 CO 0.61 0.06 0.27 -0.08 -2.88 0.00 0.00 179.24 177.22 2hfq h GLU 66 N 0.00 0.63 0.00 0.28 4.81 -2.04 -2.77 114.58 115.50 2hfq h GLU 66 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2hfq h GLU 66 Cb 0.14 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2hfq h GLU 66 CO 0.01 0.47 -0.09 1.33 -0.73 0.00 0.00 179.01 180.00 2hfq n VAL 67 N -4.71 0.32 -0.02 0.32 0.24 -0.79 -3.73 118.33 109.96 2hfq n VAL 67 Ca 0.01 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 2hfq n VAL 67 Cb 0.06 -0.46 -0.05 0.00 -1.47 0.00 0.00 33.84 31.92 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 1.07 0.00 1.34 1.08 -1.37 -0.04 117.51 119.58 2hfq h ILE 68 Ca 0.00 -0.17 -0.05 0.00 -0.39 0.00 0.00 64.86 64.26 2hfq h ILE 68 Cb 0.64 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 2hfq h ILE 68 CO 0.00 0.06 -0.22 1.05 -0.69 0.00 0.00 178.15 178.35 2hfq h GLU 69 N 0.14 0.00 0.05 2.37 -0.00 -1.66 0.13 114.58 115.61 2hfq h GLU 69 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.40 2hfq h GLU 69 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.78 2hfq h GLU 69 CO -0.01 0.22 -0.02 0.00 -0.00 0.00 0.00 179.01 179.20 2hfq h ALA 70 N 1.78 -0.07 0.00 1.06 0.00 -1.58 -3.15 119.26 117.30 2hfq h ALA 70 Ca -0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2hfq h ALA 70 Cb 0.77 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2hfq h ALA 70 CO 0.03 -0.19 -0.24 0.82 0.00 0.00 0.00 179.25 179.67 2hfq h ILE 71 N -0.77 0.84 -1.00 0.00 2.04 -0.95 -2.19 117.51 115.49 2hfq h ILE 71 Ca -0.01 -0.94 0.06 0.00 1.00 0.00 0.00 64.86 64.97 2hfq h ILE 71 Cb 0.64 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 38.22 2hfq h ILE 71 CO 0.01 0.23 0.65 0.50 0.00 0.00 0.00 178.15 179.54 2hfq h LYS 72 N 0.00 1.16 0.09 2.37 3.64 -0.97 0.28 116.57 123.13 2hfq h LYS 72 Ca -0.00 -0.07 -0.34 0.00 -1.27 0.00 0.00 60.65 58.97 2hfq h LYS 72 Cb 0.54 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2hfq h LYS 72 CO 0.03 0.77 -1.89 1.04 -2.27 0.00 0.00 179.45 177.13 2hfq n GLN 73 N -4.48 0.71 0.04 1.90 1.13 -0.96 -4.42 117.38 111.30 2hfq n GLN 73 Ca 0.15 0.32 -0.14 0.00 -1.94 0.00 0.00 57.00 55.39 2hfq n GLN 73 Cb 0.16 -1.70 -0.14 0.00 0.11 0.00 0.00 30.24 28.67 2hfq n GLN 73 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 2hfq h ASN 74 N -0.18 0.25 0.00 1.08 2.35 -1.44 -3.47 115.58 114.16 2hfq h ASN 74 Ca -0.43 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 54.96 2hfq h ASN 74 Cb 1.86 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 40.15 2hfq h ASN 74 CO 0.00 1.30 0.00 0.61 -1.65 0.00 0.00 177.43 177.70 2hfq n GLY 75 N 1.61 0.74 3.86 2.83 0.00 0.97 -5.01 105.19 110.19 2hfq n GLY 75 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.19 -0.12 1.61 1.13 -1.24 -4.56 117.35 111.61 2hfq s TYR 76 Ca 0.00 -0.27 -0.05 0.00 -1.41 0.00 0.00 57.07 55.34 2hfq s TYR 76 Cb 0.00 0.71 0.05 0.00 -1.10 0.00 0.00 41.96 41.62 2hfq s TYR 76 CO 0.00 -1.22 0.25 0.12 -2.51 0.00 0.00 175.55 172.19 2hfq s PHE 77 N -3.88 -0.37 -0.36 -3.49 5.36 -0.24 -4.18 117.98 110.81 2hfq s PHE 77 Ca 0.11 0.88 -0.11 0.00 -0.96 0.00 0.00 56.93 56.85 2hfq s PHE 77 Cb -0.06 0.01 0.02 0.00 -0.34 0.00 0.00 43.02 42.65 2hfq s PHE 77 CO 0.07 -0.29 0.19 0.42 -1.46 0.00 0.00 175.22 174.15 2hfq s ILE 78 N 1.81 4.60 -0.26 3.12 1.09 -1.26 -0.28 121.20 130.02 2hfq s ILE 78 Ca -0.04 -0.73 -0.19 0.00 -1.10 0.00 0.00 60.65 58.58 2hfq s ILE 78 Cb -0.11 -3.51 -0.02 0.00 -1.06 0.00 0.00 42.46 37.76 2hfq s ILE 78 CO -0.09 -0.15 0.57 -0.47 -0.10 0.00 0.00 174.94 174.70 2hfq s TYR 79 N 1.57 3.27 -0.99 3.97 5.04 0.08 -4.97 117.35 125.33 2hfq s TYR 79 Ca 0.03 0.70 -0.24 0.00 -2.44 0.00 0.00 57.07 55.12 2hfq s TYR 79 Cb -0.19 -2.79 -0.05 0.00 0.35 0.00 0.00 41.96 39.29 2hfq s TYR 79 CO 0.07 -0.32 1.90 0.15 -1.34 0.00 0.00 175.55 176.00 2hfq s LYS 80 N 2.41 2.67 0.03 4.97 1.02 -1.26 -2.00 119.74 127.57 2hfq s LYS 80 Ca 0.23 -0.61 -0.19 0.00 0.02 0.00 0.00 55.97 55.43 2hfq s LYS 80 Cb -0.16 -5.14 -0.10 0.00 -0.52 0.00 0.00 37.83 31.91 2hfq s LYS 80 CO 0.09 -3.39 1.23 1.98 -0.92 0.00 0.00 175.35 174.35 2hfq h MET 81 N 10.71 -0.65 -1.84 1.68 1.85 -1.93 -3.49 114.93 121.26 2hfq h MET 81 Ca 0.14 0.04 0.22 0.00 -0.61 0.00 0.00 59.70 59.49 2hfq h MET 81 Cb 0.99 0.15 -0.15 0.00 0.43 0.00 0.00 31.60 33.02 2hfq h MET 81 CO 1.24 -0.43 0.67 -1.83 -0.40 0.00 0.00 176.91 176.16 2hfq s GLU 82 N -4.38 0.62 -0.91 0.39 -1.05 -1.25 -4.95 118.70 107.16 2hfq s GLU 82 Ca -0.10 -0.28 0.00 0.00 -0.15 0.00 0.00 54.97 54.44 2hfq s GLU 82 Cb 0.01 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.95 2hfq s GLU 82 CO 0.29 -0.28 0.00 0.41 0.95 0.00 0.00 175.26 176.64 2hfq n GLY 83 N -0.28 1.04 3.63 -3.83 0.00 -1.26 -4.07 105.19 100.42 2hfq n GLY 83 Ca -0.05 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32