#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 3.87 -0.07 2.12 -0.21 -1.26 -4.60 119.66 119.51 2hfq s GLN 2 Ca 0.00 -0.32 -0.28 0.00 0.02 0.00 0.00 55.36 54.78 2hfq s GLN 2 Cb 0.00 -3.19 -0.02 0.00 1.00 0.00 0.00 33.01 30.80 2hfq s GLN 2 CO 0.00 0.36 0.92 0.96 -2.12 0.00 0.00 175.29 175.41 2hfq s ILE 3 N 0.14 4.87 -0.28 1.08 -4.36 -1.25 -4.63 121.20 116.78 2hfq s ILE 3 Ca 0.05 1.89 -0.20 0.00 -0.26 0.00 0.00 60.65 62.13 2hfq s ILE 3 Cb -0.12 -4.24 -0.02 0.00 1.25 0.00 0.00 42.46 39.33 2hfq s ILE 3 CO 0.00 0.10 0.62 -1.00 0.24 0.00 0.00 174.94 174.90 2hfq s HIS 4 N 1.48 3.25 -0.51 1.37 3.76 0.30 -2.87 115.29 122.06 2hfq s HIS 4 Ca 0.46 0.68 -0.21 0.00 -0.15 0.00 0.00 55.06 55.84 2hfq s HIS 4 Cb -0.19 -2.90 0.05 0.00 1.11 0.00 0.00 32.58 30.65 2hfq s HIS 4 CO 0.21 -0.39 0.75 0.08 -0.85 0.00 0.00 174.74 174.53 2hfq s VAL 5 N 2.53 4.68 -0.60 -0.90 1.01 -0.01 -2.56 120.40 124.55 2hfq s VAL 5 Ca 0.25 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 2hfq s VAL 5 Cb -0.15 -4.37 0.15 0.00 0.00 0.00 0.00 36.38 32.01 2hfq s VAL 5 CO 0.10 -0.89 0.49 -0.31 0.00 0.00 0.00 175.10 174.50 2hfq s TYR 6 N 3.16 3.49 -0.31 5.22 1.51 -0.98 -1.95 117.35 127.49 2hfq s TYR 6 Ca 0.22 -1.99 -0.28 0.00 -1.01 0.00 0.00 57.07 54.01 2hfq s TYR 6 Cb -0.16 -3.56 -0.05 0.00 -0.11 0.00 0.00 41.96 38.08 2hfq s TYR 6 CO 0.16 -0.97 2.19 -0.51 -1.11 0.00 0.00 175.55 175.31 2hfq s ASP 7 N 2.28 5.27 -0.25 2.29 1.11 0.16 -1.04 116.67 126.48 2hfq s ASP 7 Ca 0.11 1.56 -0.07 0.00 0.18 0.00 0.00 52.55 54.32 2hfq s ASP 7 Cb -0.21 -2.51 -0.03 0.00 1.07 0.00 0.00 42.92 41.24 2hfq s ASP 7 CO -0.03 -2.16 0.07 -0.89 1.18 0.00 0.00 175.17 173.34 2hfq s THR 8 N 9.06 4.32 -0.86 -1.27 2.01 0.28 -0.40 115.64 128.79 2hfq s THR 8 Ca 0.96 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 62.77 2hfq s THR 8 Cb -0.27 -3.03 0.21 0.00 0.01 0.00 0.00 72.50 69.42 2hfq s THR 8 CO 0.32 0.32 0.73 -0.31 -0.69 0.00 0.00 174.62 175.00 2hfq s TYR 9 N 1.61 3.85 -0.24 4.92 2.02 0.99 -2.24 117.35 128.27 2hfq s TYR 9 Ca 0.06 -3.10 -0.29 0.00 -0.37 0.00 0.00 57.07 53.37 2hfq s TYR 9 Cb -0.15 -3.14 0.00 0.00 -0.40 0.00 0.00 41.96 38.27 2hfq s TYR 9 CO 0.04 -0.70 1.14 0.08 -1.57 0.00 0.00 175.55 174.54 2hfq s VAL 10 N -1.40 4.48 -0.84 0.71 1.01 -0.88 -4.75 120.40 118.72 2hfq s VAL 10 Ca 0.27 1.76 -0.18 0.00 0.00 0.00 0.00 61.98 63.83 2hfq s VAL 10 Cb -0.06 -4.23 0.14 0.00 0.00 0.00 0.00 36.38 32.23 2hfq s VAL 10 CO -0.13 -0.26 0.97 -0.54 0.00 0.00 0.00 175.10 175.13 2hfq s LYS 11 N 3.47 3.48 0.05 2.72 1.02 -1.26 0.23 119.74 129.46 2hfq s LYS 11 Ca 0.49 -1.80 -0.30 0.00 0.02 0.00 0.00 55.97 54.37 2hfq s LYS 11 Cb -0.16 -4.66 -0.05 0.00 -0.52 0.00 0.00 37.83 32.44 2hfq s LYS 11 CO 0.12 -1.63 1.12 0.00 -0.92 0.00 0.00 175.35 174.05 2hfq s ALA 12 N 2.18 3.32 0.04 5.17 0.00 -1.04 -4.94 121.76 126.49 2hfq s ALA 12 Ca 0.25 0.75 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 2hfq s ALA 12 Cb -0.10 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 2hfq s ALA 12 CO -0.06 -0.35 1.28 0.87 0.00 0.00 0.00 175.76 177.50 2hfq h LYS 13 N 6.68 -0.54 -2.04 0.00 1.79 -1.95 -3.17 116.57 117.34 2hfq h LYS 13 Ca -0.42 0.04 -0.72 0.00 -2.18 0.00 0.00 60.65 57.37 2hfq h LYS 13 Cb 1.22 0.12 -0.32 0.00 -1.58 0.00 0.00 32.23 31.67 2hfq h LYS 13 CO 0.79 -0.36 0.46 -0.25 -1.08 0.00 0.00 179.45 179.00 2hfq n ASP 14 N -3.89 6.48 0.00 0.86 8.00 -1.26 -4.78 116.55 121.95 2hfq n ASP 14 Ca -0.07 -3.75 0.00 0.00 0.71 0.00 0.00 54.79 51.69 2hfq n ASP 14 Cb 0.24 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.44 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 -0.33 0.88 3.69 0.44 0.00 -1.20 -5.19 105.19 103.49 2hfq n GLY 15 Ca 0.45 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.51 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 0.86 -0.10 -0.59 1.61 -3.43 -1.24 -5.00 115.29 107.40 2hfq s HIS 16 Ca 0.00 -0.11 -0.28 0.00 -0.80 0.00 0.00 55.06 53.87 2hfq s HIS 16 Cb 0.00 0.60 0.01 0.00 -1.43 0.00 0.00 32.58 31.76 2hfq s HIS 16 CO 0.00 -0.58 1.44 0.08 -2.00 0.00 0.00 174.74 173.68 2hfq s VAL 17 N -2.92 3.73 -0.65 -5.38 1.01 -1.26 -2.48 120.40 112.45 2hfq s VAL 17 Ca 0.13 0.59 -0.26 0.00 0.00 0.00 0.00 61.98 62.43 2hfq s VAL 17 Cb 0.01 -4.45 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 2hfq s VAL 17 CO -0.01 -1.23 1.88 -0.04 0.00 0.00 0.00 175.10 175.70 2hfq s MET 18 N 5.68 2.61 -0.58 2.72 -1.94 0.14 -4.80 119.30 123.12 2hfq s MET 18 Ca 0.52 0.50 -0.21 0.00 -1.71 0.00 0.00 55.69 54.78 2hfq s MET 18 Cb -0.11 -4.48 0.07 0.00 2.01 0.00 0.00 34.83 32.32 2hfq s MET 18 CO 0.23 -2.83 0.82 -1.01 -0.01 0.00 0.00 175.02 172.23 2hfq s HIS 19 N 9.25 2.86 0.08 -0.03 3.76 -1.26 -2.08 115.29 127.88 2hfq s HIS 19 Ca 0.68 -0.50 -0.12 0.00 -0.15 0.00 0.00 55.06 54.96 2hfq s HIS 19 Cb -0.12 -3.99 0.02 0.00 1.11 0.00 0.00 32.58 29.60 2hfq s HIS 19 CO 0.18 -1.35 0.28 -0.59 -0.85 0.00 0.00 174.74 172.41 2hfq s PHE 20 N 3.40 -0.03 -0.20 1.40 -0.71 -0.95 -1.90 117.98 118.98 2hfq s PHE 20 Ca 0.20 -0.26 -0.09 0.00 -1.04 0.00 0.00 56.93 55.73 2hfq s PHE 20 Cb -0.18 0.07 -0.05 0.00 -1.21 0.00 0.00 43.02 41.66 2hfq s PHE 20 CO 0.12 -0.57 0.11 -0.51 -1.34 0.00 0.00 175.22 173.04 2hfq s ASP 21 N -2.54 5.97 -0.53 1.98 1.11 0.65 -0.55 116.67 122.75 2hfq s ASP 21 Ca 0.01 0.14 -0.17 0.00 0.18 0.00 0.00 52.55 52.71 2hfq s ASP 21 Cb 0.02 -2.05 0.09 0.00 1.07 0.00 0.00 42.92 42.05 2hfq s ASP 21 CO -0.08 0.15 0.55 -0.69 1.18 0.00 0.00 175.17 176.27 2hfq s VAL 22 N 0.55 5.05 -0.32 -1.27 1.01 -0.21 -0.61 120.40 124.60 2hfq s VAL 22 Ca 0.06 -1.04 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 2hfq s VAL 22 Cb -0.12 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2hfq s VAL 22 CO 0.00 -0.84 0.76 -0.36 0.00 0.00 0.00 175.10 174.66 2hfq s PHE 23 N 2.10 3.18 0.10 5.22 0.08 0.61 -2.32 117.98 126.95 2hfq s PHE 23 Ca 0.08 0.69 0.01 0.00 0.12 0.00 0.00 56.93 57.84 2hfq s PHE 23 Cb -0.25 -3.23 -0.04 0.00 -0.57 0.00 0.00 43.02 38.93 2hfq s PHE 23 CO 0.07 -0.60 -0.05 0.95 -0.10 0.00 0.00 175.22 175.48 2hfq s THR 24 N 2.94 0.65 -0.12 0.64 -4.23 -1.06 -1.37 115.64 113.09 2hfq s THR 24 Ca 0.31 -1.93 0.16 0.00 -1.18 0.00 0.00 61.69 59.05 2hfq s THR 24 Cb -0.14 -1.72 -0.11 0.00 1.34 0.00 0.00 72.50 71.87 2hfq s THR 24 CO 0.14 -0.84 0.90 -0.78 -0.54 0.00 0.00 174.62 173.50 2hfq h ASP 25 N 2.95 0.00 -2.71 3.99 3.58 -1.82 0.86 116.42 123.28 2hfq h ASP 25 Ca -0.35 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.57 2hfq h ASP 25 Cb 1.17 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.25 2hfq h ASP 25 CO 0.65 0.58 0.98 -0.69 -2.88 0.00 0.00 179.24 177.87 2hfq s VAL 26 N -2.92 2.87 -0.36 2.25 1.01 -1.26 -4.86 120.40 117.13 2hfq s VAL 26 Ca -0.02 0.43 0.11 0.00 0.00 0.00 0.00 61.98 62.50 2hfq s VAL 26 Cb 0.09 -3.27 0.69 0.00 0.00 0.00 0.00 36.38 33.88 2hfq s VAL 26 CO 0.80 0.01 1.58 -2.11 0.00 0.00 0.00 175.10 175.39 2hfq n ARG 27 N 5.18 4.10 -4.09 2.72 1.85 -1.26 -4.79 116.66 120.37 2hfq n ARG 27 Ca 0.16 -2.67 -0.35 0.00 -1.00 0.00 0.00 57.85 53.99 2hfq n ARG 27 Cb 0.40 -2.14 -0.12 0.00 -1.05 0.00 0.00 32.46 29.55 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 -0.69 5.09 0.40 2.89 -1.08 -1.26 -4.99 116.67 117.03 2hfq s ASP 28 Ca 0.47 -0.11 0.12 0.00 -0.52 0.00 0.00 52.55 52.51 2hfq s ASP 28 Cb 0.36 -1.87 0.84 0.00 -1.46 0.00 0.00 42.92 40.79 2hfq s ASP 28 CO 0.13 0.10 1.92 -2.24 0.52 0.00 0.00 175.17 175.60 2hfq h ASP 29 N 7.20 0.10 0.00 -0.34 2.03 -2.00 -1.58 116.42 121.83 2hfq h ASP 29 Ca -0.35 -0.02 -0.00 0.00 -0.73 0.00 0.00 57.03 55.92 2hfq h ASP 29 Cb 1.18 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 2hfq h ASP 29 CO 0.63 0.32 -0.01 0.50 -1.03 0.00 0.00 179.24 179.65 2hfq h LYS 30 N 0.10 0.01 -0.20 4.15 1.63 -1.99 -3.07 116.57 117.20 2hfq h LYS 30 Ca 0.02 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.71 2hfq h LYS 30 Cb 0.42 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 2hfq h LYS 30 CO 0.03 0.81 -0.30 -0.22 -3.45 0.00 0.00 179.45 176.32 2hfq h LYS 31 N -0.79 0.39 -0.66 1.90 3.64 -1.94 0.89 116.57 120.00 2hfq h LYS 31 Ca -0.00 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2hfq h LYS 31 Cb 0.81 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 2hfq h LYS 31 CO 0.00 0.65 0.44 0.00 -2.27 0.00 0.00 179.45 178.27 2hfq h ALA 32 N 1.35 0.85 -0.65 5.00 0.00 -1.41 -1.48 119.26 122.92 2hfq h ALA 32 Ca 0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2hfq h ALA 32 Cb 0.70 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2hfq h ALA 32 CO 0.05 0.25 0.08 0.82 0.00 0.00 0.00 179.25 180.46 2hfq h ILE 33 N 0.88 1.26 -0.39 0.00 2.04 -1.19 -2.22 117.51 117.89 2hfq h ILE 33 Ca 0.25 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 65.10 2hfq h ILE 33 Cb -0.08 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 2hfq h ILE 33 CO -0.06 0.40 0.12 -0.33 0.00 0.00 0.00 178.15 178.27 2hfq h GLU 34 N 1.01 0.26 -0.34 2.37 5.08 -0.33 0.29 114.58 122.93 2hfq h GLU 34 Ca 0.20 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2hfq h GLU 34 Cb 0.47 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2hfq h GLU 34 CO 0.02 0.17 -0.06 0.74 -1.00 0.00 0.00 179.01 178.88 2hfq h PHE 35 N 0.27 0.58 -0.51 4.33 0.04 -1.13 0.18 116.94 120.71 2hfq h PHE 35 Ca 0.18 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 2hfq h PHE 35 Cb 0.18 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2hfq h PHE 35 CO -0.16 0.61 0.07 0.00 -0.60 0.00 0.00 178.31 178.23 2hfq h ALA 36 N 1.42 0.68 0.00 2.45 0.00 -0.68 -2.78 119.26 120.35 2hfq h ALA 36 Ca 0.10 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2hfq h ALA 36 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2hfq h ALA 36 CO 0.02 0.43 -0.41 0.87 0.00 0.00 0.00 179.25 180.16 2hfq h LYS 37 N 0.73 0.00 -0.73 0.00 1.57 0.19 -1.18 116.57 117.15 2hfq h LYS 37 Ca 0.15 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2hfq h LYS 37 Cb 0.42 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 2hfq h LYS 37 CO 0.01 0.41 0.47 1.96 -0.57 0.00 0.00 179.45 181.73 2hfq h GLN 38 N 0.00 0.91 -0.21 3.15 1.08 -0.40 0.23 115.11 119.87 2hfq h GLN 38 Ca -0.00 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 56.97 2hfq h GLN 38 Cb 0.89 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2hfq h GLN 38 CO 0.05 0.60 -0.54 2.35 -0.95 0.00 0.00 178.83 180.34 2hfq h TRP 39 N 0.93 0.95 -0.47 2.96 7.01 -1.21 -2.46 115.95 123.66 2hfq h TRP 39 Ca 0.28 -0.37 0.01 0.00 2.11 0.00 0.00 58.89 60.92 2hfq h TRP 39 Cb -0.03 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 2hfq h TRP 39 CO -0.03 1.17 0.31 -0.07 -2.79 0.00 0.00 178.44 177.03 2hfq h LEU 40 N 0.46 0.54 -1.47 0.65 3.38 -0.88 -0.34 115.31 117.65 2hfq h LEU 40 Ca -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2hfq h LEU 40 Cb 1.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2hfq h LEU 40 CO 0.12 0.39 -0.18 0.77 0.09 0.00 0.00 178.44 179.63 2hfq h SER 41 N 0.64 0.00 0.47 -0.43 4.64 -0.57 0.22 113.55 118.52 2hfq h SER 41 Ca 0.17 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.27 2hfq h SER 41 Cb -0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2hfq h SER 41 CO -0.04 0.18 -0.98 0.28 -0.87 0.00 0.00 176.83 175.40 2hfq h SER 42 N 0.00 0.43 -0.32 4.97 0.02 -0.78 -3.09 113.55 114.77 2hfq h SER 42 Ca -0.00 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2hfq h SER 42 Cb 0.57 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2hfq h SER 42 CO 0.02 1.18 0.00 2.30 -1.14 0.00 0.00 176.83 179.20 2hfq n ILE 43 N -3.68 0.88 -1.21 3.27 -5.35 -0.24 -4.88 119.36 108.16 2hfq n ILE 43 Ca -0.06 -0.57 -0.07 0.00 -0.27 0.00 0.00 62.75 61.78 2hfq n ILE 43 Cb 0.86 -0.06 -0.03 0.00 -1.74 0.00 0.00 39.64 38.67 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 0.71 0.92 0.00 3.28 0.00 -1.05 -4.87 105.19 104.19 2hfq n GLY 44 Ca 0.13 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.57 0.00 0.00 1.61 4.07 0.75 -5.00 120.64 119.51 2hfq n GLU 45 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 2hfq n GLU 45 Cb 0.26 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.14 2hfq n GLU 45 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2hfq n GLU 46 N -1.51 0.00 -2.78 5.31 1.02 -1.12 -4.13 120.64 117.44 2hfq n GLU 46 Ca 0.05 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.76 2hfq n GLU 46 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.76 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 0.00 3.70 3.67 0.62 0.00 -1.26 -3.90 105.19 108.03 2hfq n GLY 47 Ca 0.00 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 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 1.35 1.24 -0.67 4.61 0.00 -1.26 -4.87 121.76 122.15 2hfq s ALA 48 Ca 0.42 0.08 -0.26 0.00 0.00 0.00 0.00 51.96 52.20 2hfq s ALA 48 Cb 0.01 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 2hfq s ALA 48 CO 0.01 -2.64 2.10 0.99 0.00 0.00 0.00 175.76 176.21 2hfq s THR 49 N -2.80 3.23 -0.22 0.00 2.01 -1.26 -4.91 115.64 111.71 2hfq s THR 49 Ca 0.65 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 2hfq s THR 49 Cb -0.20 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 68.79 2hfq s THR 49 CO 0.58 -0.56 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.26 2hfq s VAL 50 N 10.99 1.06 0.00 3.82 1.01 -1.26 -4.78 120.40 131.24 2hfq s VAL 50 Ca 0.79 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2hfq s VAL 50 Cb -0.12 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.81 2hfq s VAL 50 CO 0.15 -0.15 0.00 1.07 0.00 0.00 0.00 175.10 176.17 2hfq n THR 51 N 4.85 0.00 0.22 3.92 5.66 -1.26 -4.98 114.28 122.69 2hfq n THR 51 Ca -0.11 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.04 2hfq n THR 51 Cb 0.45 0.00 0.76 0.00 -1.55 0.00 0.00 70.33 70.00 2hfq n THR 51 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2hfq h SER 52 N 0.00 0.00 0.88 1.09 0.02 -1.93 0.14 113.55 113.75 2hfq h SER 52 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 2hfq h SER 52 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2hfq h SER 52 CO 0.00 0.00 -1.15 -0.33 -1.14 0.00 0.00 176.83 174.21 2hfq h GLU 53 N 0.00 0.01 0.00 3.45 4.39 -1.98 -3.37 114.58 117.08 2hfq h GLU 53 Ca 0.00 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 2hfq h GLU 53 Cb 0.10 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2hfq h GLU 53 CO 0.00 0.90 -0.38 0.93 -1.16 0.00 0.00 179.01 179.31 2hfq h GLU 54 N 0.00 0.00 -4.10 2.33 3.07 -1.29 -3.43 114.58 111.16 2hfq h GLU 54 Ca -0.07 0.00 -0.76 0.00 -0.50 0.00 0.00 59.36 58.03 2hfq h GLU 54 Cb 1.83 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 29.48 2hfq h GLU 54 CO 0.12 0.81 -0.23 0.00 -1.40 0.00 0.00 179.01 178.31 2hfq s ARG 56 N 1.42 4.04 -0.70 0.00 3.52 0.47 -4.58 118.95 123.12 2hfq s ARG 56 Ca 0.05 0.04 -0.27 0.00 -0.13 0.00 0.00 55.73 55.42 2hfq s ARG 56 Cb -0.28 -3.63 0.01 0.00 -1.56 0.00 0.00 34.95 29.49 2hfq s ARG 56 CO 0.01 -0.21 1.54 0.12 -0.81 0.00 0.00 175.30 175.95 2hfq s PHE 57 N 1.87 2.02 -0.13 5.12 5.36 -1.26 -0.66 117.98 130.29 2hfq s PHE 57 Ca 0.15 0.28 -0.19 0.00 -0.96 0.00 0.00 56.93 56.21 2hfq s PHE 57 Cb -0.15 -4.40 -0.25 0.00 -0.34 0.00 0.00 43.02 37.88 2hfq s PHE 57 CO 0.09 -2.16 0.50 0.00 -1.46 0.00 0.00 175.22 172.19 2hfq n HIS 59 N -4.12 -1.33 -4.40 0.00 1.44 -1.25 -5.06 115.22 100.50 2hfq n HIS 59 Ca -0.25 -1.12 -0.21 0.00 -2.01 0.00 0.00 57.72 54.13 2hfq n HIS 59 Cb 0.80 0.55 -0.13 0.00 0.12 0.00 0.00 29.99 31.32 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 -3.02 1.81 0.23 4.39 0.01 -1.26 -0.83 113.70 115.01 2hfq s SER 60 Ca 0.19 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 57.01 2hfq s SER 60 Cb -0.03 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 2hfq s SER 60 CO 0.05 0.06 0.23 -1.84 0.41 0.00 0.00 173.24 172.15 2hfq n GLU 61 N 1.89 0.34 -1.73 12.44 0.28 -1.14 -5.00 120.64 127.72 2hfq n GLU 61 Ca -0.18 -2.12 -0.42 0.00 -0.16 0.00 0.00 57.16 54.28 2hfq n GLU 61 Cb 0.54 1.83 -0.03 0.00 1.43 0.00 0.00 31.44 35.21 2hfq n GLU 61 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2hfq s LYS 62 N -2.79 4.14 -0.38 3.44 2.20 -1.26 -3.75 119.74 121.35 2hfq s LYS 62 Ca 0.24 2.58 -0.21 0.00 -0.36 0.00 0.00 55.97 58.22 2hfq s LYS 62 Cb 0.01 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.79 2hfq s LYS 62 CO 0.17 -0.83 0.68 0.00 -0.36 0.00 0.00 175.35 175.02 2hfq s ALA 63 N 2.59 3.42 0.69 3.13 0.00 -1.26 -4.90 121.76 125.41 2hfq s ALA 63 Ca 0.80 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 51.73 2hfq s ALA 63 Cb -0.46 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.42 2hfq s ALA 63 CO 0.36 -1.49 1.12 -2.14 0.00 0.00 0.00 175.76 173.60 2hfq s PRO 64 N 2.85 2.64 0.45 0.00 0.02 -1.26 -4.88 135.00 134.82 2hfq s PRO 64 Ca 0.26 1.39 0.12 0.00 0.02 0.00 0.00 61.00 62.79 2hfq s PRO 64 Cb -0.14 -1.93 1.03 0.00 0.02 0.00 0.00 34.50 33.49 2hfq s PRO 64 CO 0.17 -1.38 2.06 0.22 -0.33 0.00 0.00 177.00 177.74 2hfq h ASP 65 N -0.19 0.30 -0.13 2.53 3.58 -1.99 -2.07 116.42 118.45 2hfq h ASP 65 Ca -0.46 -0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.03 2hfq h ASP 65 Cb 1.25 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 42.18 2hfq h ASP 65 CO 0.53 0.21 -0.18 -0.33 -2.88 0.00 0.00 179.24 176.59 2hfq h GLU 66 N 0.35 -0.22 0.00 0.28 4.39 -2.00 -0.96 114.58 116.42 2hfq h GLU 66 Ca 0.14 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 2hfq h GLU 66 Cb 0.14 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2hfq h GLU 66 CO -0.03 -0.14 -0.41 -0.39 -1.16 0.00 0.00 179.01 176.88 2hfq h VAL 67 N -0.22 0.85 -0.26 3.13 -1.51 -1.78 -2.82 116.25 113.64 2hfq h VAL 67 Ca 0.10 -1.72 -0.00 0.00 -1.23 0.00 0.00 66.70 63.84 2hfq h VAL 67 Cb 0.36 2.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.59 2hfq h VAL 67 CO -0.26 0.40 0.15 0.40 -1.23 0.00 0.00 177.57 177.03 2hfq h ILE 68 N 0.00 1.11 -0.11 7.19 1.08 -0.82 -1.71 117.51 124.25 2hfq h ILE 68 Ca -0.00 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.22 2hfq h ILE 68 Cb 1.05 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 35.59 2hfq h ILE 68 CO 0.05 0.11 -0.05 -0.08 -0.69 0.00 0.00 178.15 177.49 2hfq h GLU 69 N 0.32 -0.04 -0.01 2.37 4.57 -0.95 -0.25 114.58 120.58 2hfq h GLU 69 Ca 0.09 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2hfq h GLU 69 Cb 0.04 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2hfq h GLU 69 CO -0.02 -0.02 0.01 0.00 -1.18 0.00 0.00 179.01 177.80 2hfq h ALA 70 N 1.07 0.01 0.00 2.92 0.00 -1.39 -1.27 119.26 120.60 2hfq h ALA 70 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2hfq h ALA 70 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2hfq h ALA 70 CO -0.14 -0.45 0.00 0.82 0.00 0.00 0.00 179.25 179.49 2hfq h ILE 71 N -0.06 0.00 0.00 0.00 2.04 -1.22 0.41 117.51 118.69 2hfq h ILE 71 Ca 0.00 -0.57 -0.17 0.00 1.00 0.00 0.00 64.86 65.12 2hfq h ILE 71 Cb 0.07 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2hfq h ILE 71 CO -0.00 0.00 -0.94 0.50 0.00 0.00 0.00 178.15 177.71 2hfq h LYS 72 N 0.00 0.00 0.00 2.37 3.64 -0.54 -2.49 116.57 119.55 2hfq h LYS 72 Ca 0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 2hfq h LYS 72 Cb 0.58 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 2hfq h LYS 72 CO 0.00 0.67 -1.99 1.04 -2.27 0.00 0.00 179.45 176.90 2hfq n GLN 73 N -3.21 1.10 -0.06 1.90 1.13 -0.52 -4.69 117.38 113.03 2hfq n GLN 73 Ca -0.02 0.05 -0.03 0.00 -1.94 0.00 0.00 57.00 55.06 2hfq n GLN 73 Cb 0.86 -1.36 -0.13 0.00 0.11 0.00 0.00 30.24 29.72 2hfq n GLN 73 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2hfq n ASN 74 N -2.76 0.97 0.00 1.08 3.02 0.14 -4.98 115.26 112.72 2hfq n ASN 74 Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 2hfq n ASN 74 Cb 0.90 1.18 0.00 0.00 -0.61 0.00 0.00 39.78 41.25 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 1.84 1.62 3.23 7.41 0.00 -0.94 -4.99 105.19 113.36 2hfq n GLY 75 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 0.03 -0.12 1.61 -0.85 -1.26 -4.60 117.35 109.79 2hfq s TYR 76 Ca 0.00 -0.35 -0.04 0.00 -0.52 0.00 0.00 57.07 56.16 2hfq s TYR 76 Cb 0.00 0.03 0.05 0.00 0.38 0.00 0.00 41.96 42.42 2hfq s TYR 76 CO 0.00 -0.54 0.09 0.12 -1.52 0.00 0.00 175.55 173.70 2hfq s PHE 77 N -3.37 0.09 -0.43 -3.49 5.36 -0.47 -4.11 117.98 111.56 2hfq s PHE 77 Ca 0.01 -0.02 -0.19 0.00 -0.96 0.00 0.00 56.93 55.77 2hfq s PHE 77 Cb 0.02 -0.57 0.02 0.00 -0.34 0.00 0.00 43.02 42.16 2hfq s PHE 77 CO -0.08 -0.39 0.54 0.42 -1.46 0.00 0.00 175.22 174.24 2hfq s ILE 78 N 2.17 4.96 -0.36 3.12 1.09 -1.26 -0.28 121.20 130.64 2hfq s ILE 78 Ca 0.03 -0.10 -0.14 0.00 -1.10 0.00 0.00 60.65 59.35 2hfq s ILE 78 Cb -0.14 -4.12 -0.01 0.00 -1.06 0.00 0.00 42.46 37.13 2hfq s ILE 78 CO -0.07 -0.50 0.31 -0.47 -0.10 0.00 0.00 174.94 174.11 2hfq s TYR 79 N 2.48 3.22 -0.60 3.97 5.04 0.23 -4.95 117.35 126.73 2hfq s TYR 79 Ca 0.17 -0.21 -0.27 0.00 -2.44 0.00 0.00 57.07 54.33 2hfq s TYR 79 Cb -0.16 -2.59 -0.01 0.00 0.35 0.00 0.00 41.96 39.55 2hfq s TYR 79 CO 0.16 -0.44 1.77 0.15 -1.34 0.00 0.00 175.55 175.85 2hfq s LYS 80 N 1.85 2.78 0.09 4.97 1.02 -1.26 -0.25 119.74 128.93 2hfq s LYS 80 Ca 0.08 0.57 -0.17 0.00 0.02 0.00 0.00 55.97 56.47 2hfq s LYS 80 Cb -0.17 -4.34 -0.07 0.00 -0.52 0.00 0.00 37.83 32.73 2hfq s LYS 80 CO 0.11 -2.56 1.51 1.98 -0.92 0.00 0.00 175.35 175.47 2hfq h MET 81 N 14.07 0.53 0.00 1.68 1.85 -1.76 -3.44 114.93 127.86 2hfq h MET 81 Ca -0.27 -0.19 0.00 0.00 -0.61 0.00 0.00 59.70 58.64 2hfq h MET 81 Cb 1.15 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.14 2hfq h MET 81 CO 1.21 0.71 -0.06 -1.91 -0.40 0.00 0.00 176.91 176.45 2hfq n GLU 82 N -4.54 0.00 -2.38 0.39 2.13 -0.80 -5.02 120.64 110.42 2hfq n GLU 82 Ca -0.03 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.40 2hfq n GLU 82 Cb 0.28 -0.11 -0.03 0.00 0.27 0.00 0.00 31.44 31.86 2hfq n GLU 82 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2hfq s GLY 83 N -4.85 2.93 0.00 8.31 0.00 -1.22 -4.91 107.32 107.58 2hfq s GLY 83 Ca 0.00 0.93 0.29 0.00 0.00 0.00 0.00 44.72 45.94 2hfq s GLY 83 CO 0.00 1.48 2.00 0.00 0.00 0.00 0.00 173.10 176.57