#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 3.67 -0.55 2.12 -0.21 -1.26 -4.03 119.66 119.40 2hfq s GLN 2 Ca 0.00 0.69 -0.28 0.00 0.02 0.00 0.00 55.36 55.79 2hfq s GLN 2 Cb 0.00 -3.95 0.02 0.00 1.00 0.00 0.00 33.01 30.09 2hfq s GLN 2 CO 0.00 -1.44 1.29 0.96 -2.12 0.00 0.00 175.29 173.97 2hfq s ILE 3 N 4.78 3.94 -0.62 1.08 -4.36 -1.24 -4.46 121.20 120.31 2hfq s ILE 3 Ca 0.52 0.85 -0.27 0.00 -0.26 0.00 0.00 60.65 61.49 2hfq s ILE 3 Cb -0.09 -4.57 0.01 0.00 1.25 0.00 0.00 42.46 39.06 2hfq s ILE 3 CO 0.32 -1.20 1.50 -1.00 0.24 0.00 0.00 174.94 174.80 2hfq s HIS 4 N 5.34 2.11 -0.72 1.37 3.76 0.14 -3.65 115.29 123.64 2hfq s HIS 4 Ca 0.48 0.40 -0.25 0.00 -0.15 0.00 0.00 55.06 55.54 2hfq s HIS 4 Cb -0.09 -4.38 0.05 0.00 1.11 0.00 0.00 32.58 29.26 2hfq s HIS 4 CO 0.27 -2.12 1.17 0.08 -0.85 0.00 0.00 174.74 173.29 2hfq s VAL 5 N 6.78 3.95 -0.56 -0.90 1.01 -0.25 -2.49 120.40 127.93 2hfq s VAL 5 Ca 0.51 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.40 2hfq s VAL 5 Cb -0.11 -4.84 0.10 0.00 0.00 0.00 0.00 36.38 31.54 2hfq s VAL 5 CO 0.21 -1.71 0.62 -0.31 0.00 0.00 0.00 175.10 173.91 2hfq s TYR 6 N 5.09 3.08 -0.48 5.22 2.02 -0.92 -1.65 117.35 129.71 2hfq s TYR 6 Ca 0.30 -0.98 -0.28 0.00 -0.37 0.00 0.00 57.07 55.75 2hfq s TYR 6 Cb -0.11 -3.84 0.01 0.00 -0.40 0.00 0.00 41.96 37.62 2hfq s TYR 6 CO 0.12 -1.16 1.45 0.34 -1.57 0.00 0.00 175.55 174.74 2hfq s ASP 7 N 3.42 6.17 -0.18 2.29 2.15 0.15 -0.94 116.67 129.73 2hfq s ASP 7 Ca 0.09 0.59 -0.06 0.00 0.43 0.00 0.00 52.55 53.60 2hfq s ASP 7 Cb -0.25 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.79 2hfq s ASP 7 CO 0.06 -1.61 0.04 -0.89 -0.17 0.00 0.00 175.17 172.59 2hfq s THR 8 N 5.96 4.49 -0.79 1.71 2.01 0.95 -0.44 115.64 129.53 2hfq s THR 8 Ca 0.59 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.33 2hfq s THR 8 Cb -0.13 -3.02 0.21 0.00 0.01 0.00 0.00 72.50 69.57 2hfq s THR 8 CO 0.29 0.46 0.70 -0.31 -0.69 0.00 0.00 174.62 175.07 2hfq s TYR 9 N 0.50 3.69 -0.53 4.92 1.51 -0.37 -2.34 117.35 124.72 2hfq s TYR 9 Ca 0.01 -2.14 -0.20 0.00 -1.01 0.00 0.00 57.07 53.74 2hfq s TYR 9 Cb -0.13 -3.69 0.07 0.00 -0.11 0.00 0.00 41.96 38.09 2hfq s TYR 9 CO 0.01 -0.96 0.69 0.08 -1.11 0.00 0.00 175.55 174.26 2hfq s VAL 10 N 0.12 4.79 -0.53 0.71 1.01 -0.13 -4.82 120.40 121.54 2hfq s VAL 10 Ca 0.18 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 2hfq s VAL 10 Cb -0.12 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 2hfq s VAL 10 CO -0.08 -0.93 1.69 -0.54 0.00 0.00 0.00 175.10 175.24 2hfq s LYS 11 N 2.85 3.04 0.99 2.72 1.02 -1.26 0.11 119.74 129.20 2hfq s LYS 11 Ca 0.16 0.75 -0.16 0.00 0.02 0.00 0.00 55.97 56.75 2hfq s LYS 11 Cb -0.19 -4.25 0.20 0.00 -0.52 0.00 0.00 37.83 33.07 2hfq s LYS 11 CO 0.11 -2.24 1.25 0.00 -0.92 0.00 0.00 175.35 173.55 2hfq s ALA 12 N 7.49 1.92 0.02 5.17 0.00 -1.24 -4.71 121.76 130.41 2hfq s ALA 12 Ca 0.65 -1.04 -0.28 0.00 0.00 0.00 0.00 51.96 51.29 2hfq s ALA 12 Cb -0.14 -2.84 -0.16 0.00 0.00 0.00 0.00 23.12 19.98 2hfq s ALA 12 CO 0.25 -2.57 1.17 0.87 0.00 0.00 0.00 175.76 175.48 2hfq h LYS 13 N -1.75 -0.97 0.00 0.00 1.79 -1.93 -3.43 116.57 110.27 2hfq h LYS 13 Ca -0.45 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2hfq h LYS 13 Cb 1.26 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 2hfq h LYS 13 CO 0.42 -0.65 0.00 -0.40 -1.08 0.00 0.00 179.45 177.75 2hfq n ASP 14 N -5.44 0.00 -1.60 0.86 5.75 -1.26 -4.91 116.55 109.95 2hfq n ASP 14 Ca -0.13 -0.39 -0.09 0.00 -0.01 0.00 0.00 54.79 54.17 2hfq n ASP 14 Cb 0.40 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.53 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 0.00 3.21 0.47 6.12 0.00 -1.26 -4.95 105.19 108.79 2hfq n GLY 15 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.43 -1.30 -1.90 1.61 -0.00 -1.26 -4.70 115.22 108.10 2hfq n HIS 16 Ca 0.19 0.70 -0.42 0.00 0.46 0.00 0.00 57.72 58.66 2hfq n HIS 16 Cb 0.68 -1.44 -0.03 0.00 -0.12 0.00 0.00 29.99 29.09 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 -4.42 3.33 -0.50 3.57 1.01 -1.26 -3.66 120.40 118.47 2hfq s VAL 17 Ca 0.00 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.02 2hfq s VAL 17 Cb 0.00 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2hfq s VAL 17 CO 0.00 -0.38 1.96 -0.04 0.00 0.00 0.00 175.10 176.64 2hfq s MET 18 N 6.24 2.73 -0.46 2.72 -1.94 0.12 -4.83 119.30 123.88 2hfq s MET 18 Ca 0.83 1.03 -0.12 0.00 -1.71 0.00 0.00 55.69 55.72 2hfq s MET 18 Cb -0.22 -4.37 0.09 0.00 2.01 0.00 0.00 34.83 32.33 2hfq s MET 18 CO 0.31 -2.58 0.35 -1.58 -0.01 0.00 0.00 175.02 171.51 2hfq s HIS 19 N 9.07 3.31 0.09 -0.03 2.46 -1.24 -0.96 115.29 127.99 2hfq s HIS 19 Ca 0.78 -1.37 -0.03 0.00 0.47 0.00 0.00 55.06 54.90 2hfq s HIS 19 Cb -0.17 -3.22 -0.03 0.00 -0.13 0.00 0.00 32.58 29.03 2hfq s HIS 19 CO 0.26 -0.88 0.07 -0.59 -2.47 0.00 0.00 174.74 171.12 2hfq s PHE 20 N 1.50 0.53 -0.03 3.88 -0.12 -0.99 -2.02 117.98 120.73 2hfq s PHE 20 Ca 0.04 -0.99 0.04 0.00 -0.05 0.00 0.00 56.93 55.96 2hfq s PHE 20 Cb -0.25 -0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 41.79 2hfq s PHE 20 CO 0.03 -0.48 -0.13 0.16 -0.05 0.00 0.00 175.22 174.75 2hfq s ASP 21 N -2.95 4.17 -0.27 1.98 -4.77 -1.15 -0.03 116.67 113.64 2hfq s ASP 21 Ca 0.12 -0.19 -0.06 0.00 -3.30 0.00 0.00 52.55 49.12 2hfq s ASP 21 Cb 0.07 -0.89 -0.00 0.00 -1.09 0.00 0.00 42.92 41.00 2hfq s ASP 21 CO -0.06 0.33 0.06 -0.69 0.70 0.00 0.00 175.17 175.51 2hfq s VAL 22 N -0.80 3.97 -0.43 2.11 1.01 -0.12 -0.78 120.40 125.35 2hfq s VAL 22 Ca 0.13 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 2hfq s VAL 22 Cb -0.11 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.34 2hfq s VAL 22 CO 0.02 0.20 1.04 -0.36 0.00 0.00 0.00 175.10 176.01 2hfq s PHE 23 N 1.53 2.94 0.10 5.22 0.08 0.11 -2.17 117.98 125.78 2hfq s PHE 23 Ca 0.04 0.73 0.04 0.00 0.12 0.00 0.00 56.93 57.85 2hfq s PHE 23 Cb -0.16 -4.08 -0.04 0.00 -0.57 0.00 0.00 43.02 38.17 2hfq s PHE 23 CO 0.02 -1.08 -0.10 0.95 -0.10 0.00 0.00 175.22 174.92 2hfq s THR 24 N 4.00 0.93 -2.15 0.64 -4.23 -1.04 -1.67 115.64 112.13 2hfq s THR 24 Ca 0.43 -1.71 0.23 0.00 -1.18 0.00 0.00 61.69 59.46 2hfq s THR 24 Cb -0.09 -1.44 0.04 0.00 1.34 0.00 0.00 72.50 72.35 2hfq s THR 24 CO 0.26 -0.61 1.16 -0.90 -0.54 0.00 0.00 174.62 173.98 2hfq n ASP 25 N 0.42 2.08 -4.77 3.99 5.75 -1.26 0.25 116.55 123.01 2hfq n ASP 25 Ca -0.15 -1.54 -0.38 0.00 -0.01 0.00 0.00 54.79 52.72 2hfq n ASP 25 Cb 0.58 0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 41.03 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 -2.41 3.38 -0.83 2.12 1.01 -1.26 -4.89 120.40 117.52 2hfq s VAL 26 Ca 0.20 1.13 0.16 0.00 0.00 0.00 0.00 61.98 63.47 2hfq s VAL 26 Cb 0.18 -3.62 0.74 0.00 0.00 0.00 0.00 36.38 33.68 2hfq s VAL 26 CO 0.53 0.08 1.64 -2.11 0.00 0.00 0.00 175.10 175.24 2hfq n ARG 27 N 0.07 4.07 -4.48 2.72 1.85 -1.26 -4.80 116.66 114.83 2hfq n ARG 27 Ca 0.04 -2.87 -0.33 0.00 -1.00 0.00 0.00 57.85 53.70 2hfq n ARG 27 Cb 0.48 -2.02 -0.16 0.00 -1.05 0.00 0.00 32.46 29.70 2hfq n ARG 27 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2hfq s ASP 28 N -0.82 3.18 0.11 2.89 1.11 -1.26 -5.00 116.67 116.87 2hfq s ASP 28 Ca 0.51 -0.60 -0.16 0.00 0.18 0.00 0.00 52.55 52.47 2hfq s ASP 28 Cb 0.35 -1.47 -0.05 0.00 1.07 0.00 0.00 42.92 42.82 2hfq s ASP 28 CO 0.21 0.06 1.54 0.44 1.18 0.00 0.00 175.17 178.59 2hfq h ASP 29 N 7.52 0.60 -0.15 0.27 5.19 -1.98 -0.20 116.42 127.67 2hfq h ASP 29 Ca -0.37 -0.32 -0.06 0.00 -0.62 0.00 0.00 57.03 55.66 2hfq h ASP 29 Cb 1.17 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 2hfq h ASP 29 CO 0.58 0.77 -0.09 0.50 -3.12 0.00 0.00 179.24 177.89 2hfq h LYS 30 N 0.41 0.47 -0.07 3.56 1.63 -1.97 -0.16 116.57 120.44 2hfq h LYS 30 Ca 0.09 -0.12 -0.23 0.00 -0.85 0.00 0.00 60.65 59.54 2hfq h LYS 30 Cb 0.48 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2hfq h LYS 30 CO 0.02 0.57 -0.88 -0.22 -3.45 0.00 0.00 179.45 175.49 2hfq h LYS 31 N 0.45 0.64 -0.94 1.90 1.63 -1.94 -2.57 116.57 115.73 2hfq h LYS 31 Ca 0.09 -0.59 0.01 0.00 -0.85 0.00 0.00 60.65 59.30 2hfq h LYS 31 Cb 0.43 0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 32.16 2hfq h LYS 31 CO 0.02 1.20 0.62 0.00 -3.45 0.00 0.00 179.45 177.84 2hfq h ALA 32 N 0.61 1.20 -0.53 5.00 0.00 -0.49 -1.31 119.26 123.74 2hfq h ALA 32 Ca -0.08 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.85 2hfq h ALA 32 Cb 1.50 -0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 2hfq h ALA 32 CO 0.17 0.60 0.12 0.82 0.00 0.00 0.00 179.25 180.96 2hfq h ILE 33 N 1.28 0.72 -0.90 0.00 2.04 -0.93 0.17 117.51 119.90 2hfq h ILE 33 Ca 0.34 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 66.14 2hfq h ILE 33 Cb -0.14 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.32 2hfq h ILE 33 CO -0.07 0.05 0.58 -0.08 0.00 0.00 0.00 178.15 178.63 2hfq h GLU 34 N 0.27 1.12 -0.45 2.37 4.81 -0.85 0.35 114.58 122.18 2hfq h GLU 34 Ca 0.27 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 2hfq h GLU 34 Cb 0.36 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2hfq h GLU 34 CO -0.33 0.74 -0.12 0.74 -0.73 0.00 0.00 179.01 179.30 2hfq h PHE 35 N 1.15 1.00 -0.59 0.92 0.04 -0.60 -0.00 116.94 118.85 2hfq h PHE 35 Ca 0.35 -0.22 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 2hfq h PHE 35 Cb -0.03 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 37.85 2hfq h PHE 35 CO -0.01 0.98 0.20 0.00 -0.60 0.00 0.00 178.31 178.89 2hfq h ALA 36 N 0.87 0.77 0.00 2.45 0.00 -0.30 -2.67 119.26 120.38 2hfq h ALA 36 Ca 0.11 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2hfq h ALA 36 Cb 0.67 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2hfq h ALA 36 CO 0.05 0.42 -0.43 0.87 0.00 0.00 0.00 179.25 180.16 2hfq h LYS 37 N 0.83 0.00 -0.88 0.00 1.57 -0.16 -0.33 116.57 117.60 2hfq h LYS 37 Ca 0.19 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2hfq h LYS 37 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2hfq h LYS 37 CO -0.01 0.43 0.58 1.96 -0.57 0.00 0.00 179.45 181.84 2hfq h GLN 38 N 0.00 1.16 -0.11 3.15 4.20 -0.67 0.45 115.11 123.30 2hfq h GLN 38 Ca -0.00 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 2hfq h GLN 38 Cb 0.76 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 2hfq h GLN 38 CO 0.06 0.77 -0.06 2.35 -0.67 0.00 0.00 178.83 181.27 2hfq h TRP 39 N 1.19 0.26 0.09 2.96 7.01 -1.12 -2.95 115.95 123.39 2hfq h TRP 39 Ca 0.33 -0.07 0.01 0.00 2.11 0.00 0.00 58.89 61.27 2hfq h TRP 39 Cb -0.13 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 26.85 2hfq h TRP 39 CO -0.01 0.59 -0.13 -0.07 -2.79 0.00 0.00 178.44 176.03 2hfq h LEU 40 N -0.13 -0.35 -2.10 0.65 3.38 -0.73 -1.52 115.31 114.51 2hfq h LEU 40 Ca 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2hfq h LEU 40 Cb 0.52 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2hfq h LEU 40 CO 0.02 -0.19 -0.01 0.28 0.09 0.00 0.00 178.44 178.63 2hfq h SER 41 N -0.26 0.00 0.12 -0.43 0.02 0.07 0.37 113.55 113.44 2hfq h SER 41 Ca 0.02 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.67 2hfq h SER 41 Cb 0.27 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.84 2hfq h SER 41 CO -0.06 0.01 -1.22 0.28 -1.14 0.00 0.00 176.83 174.69 2hfq h SER 42 N 0.00 0.86 1.76 3.07 0.02 -1.27 -3.31 113.55 114.68 2hfq h SER 42 Ca -0.00 -0.83 -0.02 0.00 -0.84 0.00 0.00 61.79 60.10 2hfq h SER 42 Cb 0.01 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 2hfq h SER 42 CO 0.00 1.60 -0.09 0.16 -1.14 0.00 0.00 176.83 177.37 2hfq h ILE 43 N 0.24 0.16 0.00 3.27 3.07 -0.40 -3.47 117.51 120.38 2hfq h ILE 43 Ca -0.19 -1.14 0.00 0.00 1.55 0.00 0.00 64.86 65.09 2hfq h ILE 43 Cb 1.90 2.00 0.00 0.00 -0.27 0.00 0.00 36.82 40.45 2hfq h ILE 43 CO 0.23 0.09 0.00 0.61 -1.05 0.00 0.00 178.15 178.03 2hfq n GLY 44 N 0.95 0.91 2.62 0.16 0.00 -0.17 -5.04 105.19 104.62 2hfq n GLY 44 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 3.87 -0.19 1.61 -0.58 0.11 -4.58 120.64 120.89 2hfq n GLU 45 Ca 0.00 -3.16 0.02 0.00 -0.42 0.00 0.00 57.16 53.61 2hfq n GLU 45 Cb 0.00 -2.85 0.10 0.00 -0.57 0.00 0.00 31.44 28.12 2hfq n GLU 45 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2hfq n GLU 46 N 3.37 1.84 -2.80 3.49 0.28 -1.26 -2.81 120.64 122.75 2hfq n GLU 46 Ca 0.56 -0.80 -0.07 0.00 -0.16 0.00 0.00 57.16 56.69 2hfq n GLU 46 Cb 0.30 -1.51 0.01 0.00 1.43 0.00 0.00 31.44 31.67 2hfq n GLU 46 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2hfq n GLY 47 N 0.40 -0.21 3.08 -1.84 0.00 -1.26 -4.99 105.19 100.38 2hfq n GLY 47 Ca 0.07 0.24 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 0.74 0.66 -0.69 4.61 0.00 -1.26 -5.03 121.76 120.79 2hfq s ALA 48 Ca 0.31 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 51.18 2hfq s ALA 48 Cb 0.06 0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.32 2hfq s ALA 48 CO -0.11 -0.05 0.96 0.99 0.00 0.00 0.00 175.76 177.55 2hfq s THR 49 N -1.78 4.44 -0.33 0.00 2.01 -1.26 -4.96 115.64 113.75 2hfq s THR 49 Ca -0.06 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.35 2hfq s THR 49 Cb -0.07 -4.68 0.10 0.00 0.01 0.00 0.00 72.50 67.86 2hfq s THR 49 CO -0.01 -1.43 0.08 -0.69 -0.69 0.00 0.00 174.62 171.89 2hfq s VAL 50 N 3.71 1.67 0.00 3.82 1.01 -1.26 -4.64 120.40 124.70 2hfq s VAL 50 Ca 0.22 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 60.23 2hfq s VAL 50 Cb -0.16 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 33.98 2hfq s VAL 50 CO 0.07 -0.65 0.00 0.35 0.00 0.00 0.00 175.10 174.87 2hfq n THR 51 N 4.46 0.00 0.81 3.92 -2.24 -1.26 -4.92 114.28 115.05 2hfq n THR 51 Ca 0.02 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.87 2hfq n THR 51 Cb 0.42 -0.70 0.40 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.07 0.00 -0.00 3.42 2.88 -1.26 -1.62 113.62 114.97 2hfq n SER 52 Ca 0.00 -0.23 -0.15 0.00 -1.33 0.00 0.00 58.87 57.16 2hfq n SER 52 Cb 0.00 -0.12 -0.14 0.00 -0.75 0.00 0.00 64.21 63.20 2hfq n SER 52 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2hfq h GLU 53 N 0.00 0.14 0.00 -1.46 4.57 -2.00 -3.38 114.58 112.46 2hfq h GLU 53 Ca 0.00 -0.24 -0.21 0.00 -1.18 0.00 0.00 59.36 57.73 2hfq h GLU 53 Cb 0.06 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 2hfq h GLU 53 CO 0.00 0.87 -1.04 0.93 -1.18 0.00 0.00 179.01 178.59 2hfq h GLU 54 N 0.04 0.00 -5.10 1.92 3.07 -1.62 -3.41 114.58 109.48 2hfq h GLU 54 Ca -0.35 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 57.84 2hfq h GLU 54 Cb 2.02 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 29.76 2hfq h GLU 54 CO 0.09 0.93 0.24 0.00 -1.40 0.00 0.00 179.01 178.86 2hfq s ARG 56 N 3.12 3.04 -0.51 0.00 0.52 0.41 -4.88 118.95 120.65 2hfq s ARG 56 Ca 0.17 -0.97 -0.27 0.00 -0.52 0.00 0.00 55.73 54.14 2hfq s ARG 56 Cb -0.19 -4.03 -0.02 0.00 0.52 0.00 0.00 34.95 31.23 2hfq s ARG 56 CO 0.11 -0.92 1.80 0.12 0.02 0.00 0.00 175.30 176.43 2hfq s PHE 57 N 1.99 1.77 -0.13 -0.53 5.36 -1.26 0.34 117.98 125.52 2hfq s PHE 57 Ca 0.09 0.73 -0.18 0.00 -0.96 0.00 0.00 56.93 56.61 2hfq s PHE 57 Cb -0.19 -4.12 -0.16 0.00 -0.34 0.00 0.00 43.02 38.20 2hfq s PHE 57 CO 0.11 -2.47 0.47 0.00 -1.46 0.00 0.00 175.22 171.87 2hfq s HIS 59 N -1.98 0.07 -0.14 0.00 -3.43 -1.25 -5.05 115.29 103.51 2hfq s HIS 59 Ca -0.12 -0.38 -0.04 0.00 -0.80 0.00 0.00 55.06 53.71 2hfq s HIS 59 Cb -0.02 0.66 0.05 0.00 -1.43 0.00 0.00 32.58 31.85 2hfq s HIS 59 CO 0.43 -0.73 0.08 -1.12 -2.00 0.00 0.00 174.74 171.41 2hfq s SER 60 N -3.56 2.05 0.00 7.38 0.01 -1.26 -1.10 113.70 117.22 2hfq s SER 60 Ca 0.25 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2hfq s SER 60 Cb -0.02 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2hfq s SER 60 CO 0.04 -0.33 0.00 -1.84 0.41 0.00 0.00 173.24 171.52 2hfq n GLU 61 N 5.29 1.92 -1.72 12.44 0.28 -1.24 -4.85 120.64 132.76 2hfq n GLU 61 Ca -0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.52 2hfq n GLU 61 Cb 0.49 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.33 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 -1.33 3.87 -0.06 3.44 2.20 -1.26 -3.70 119.74 122.90 2hfq s LYS 62 Ca 0.00 2.37 -0.30 0.00 -0.36 0.00 0.00 55.97 57.68 2hfq s LYS 62 Cb 0.00 -4.19 -0.02 0.00 -1.51 0.00 0.00 37.83 32.10 2hfq s LYS 62 CO 0.00 -1.25 1.07 0.00 -0.36 0.00 0.00 175.35 174.81 2hfq s ALA 63 N 5.42 3.39 0.34 3.13 0.00 -1.26 -4.97 121.76 127.82 2hfq s ALA 63 Ca 0.89 0.51 -0.28 0.00 0.00 0.00 0.00 51.96 53.08 2hfq s ALA 63 Cb -0.38 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.20 2hfq s ALA 63 CO 0.38 -0.58 1.22 -1.25 0.00 0.00 0.00 175.76 175.52 2hfq s PRO 64 N 1.86 4.32 0.65 0.00 0.04 -1.26 -4.92 135.00 135.69 2hfq s PRO 64 Ca 0.52 2.01 0.41 0.00 0.04 0.00 0.00 61.00 63.98 2hfq s PRO 64 Cb -0.21 -2.98 2.29 0.00 0.04 0.00 0.00 34.50 33.64 2hfq s PRO 64 CO 0.21 -0.14 2.35 0.38 0.04 0.00 0.00 177.00 179.84 2hfq h ASP 65 N 3.25 0.00 0.21 6.66 2.03 -2.00 -2.05 116.42 124.52 2hfq h ASP 65 Ca -0.48 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 55.82 2hfq h ASP 65 Cb 1.23 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.71 2hfq h ASP 65 CO 0.65 0.00 -0.17 -0.08 -1.03 0.00 0.00 179.24 178.61 2hfq h GLU 66 N 0.00 -0.38 0.00 4.15 4.57 -2.02 -2.99 114.58 117.90 2hfq h GLU 66 Ca -0.00 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2hfq h GLU 66 Cb 0.00 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2hfq h GLU 66 CO 0.00 -0.25 -0.16 -0.39 -1.18 0.00 0.00 179.01 177.02 2hfq h VAL 67 N -0.40 0.33 -0.48 0.32 -1.51 -1.77 -3.16 116.25 109.58 2hfq h VAL 67 Ca -0.01 -1.17 0.04 0.00 -1.23 0.00 0.00 66.70 64.32 2hfq h VAL 67 Cb 0.36 1.92 -0.04 0.00 -2.13 0.00 0.00 31.29 31.39 2hfq h VAL 67 CO -0.02 0.16 0.25 0.40 -1.23 0.00 0.00 177.57 177.13 2hfq h ILE 68 N 0.00 0.98 -0.47 7.19 1.08 -1.38 0.13 117.51 125.04 2hfq h ILE 68 Ca -0.00 -0.17 -0.08 0.00 -0.39 0.00 0.00 64.86 64.22 2hfq h ILE 68 Cb 0.90 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 2hfq h ILE 68 CO 0.02 0.09 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.23 2hfq h GLU 69 N 0.50 0.84 -0.18 2.37 4.39 -1.54 -1.84 114.58 119.12 2hfq h GLU 69 Ca 0.20 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2hfq h GLU 69 Cb 0.09 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2hfq h GLU 69 CO -0.13 0.90 0.05 0.00 -1.16 0.00 0.00 179.01 178.67 2hfq h ALA 70 N 0.92 0.24 0.00 3.43 0.00 -1.46 -2.22 119.26 120.17 2hfq h ALA 70 Ca 0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2hfq h ALA 70 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2hfq h ALA 70 CO 0.03 -0.13 -0.28 0.82 0.00 0.00 0.00 179.25 179.68 2hfq h ILE 71 N 0.12 0.96 -0.03 0.00 2.04 -0.73 -0.16 117.51 119.70 2hfq h ILE 71 Ca 0.06 -1.04 -0.13 0.00 1.00 0.00 0.00 64.86 64.75 2hfq h ILE 71 Cb 0.23 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 2hfq h ILE 71 CO -0.00 0.27 -0.58 0.50 0.00 0.00 0.00 178.15 178.34 2hfq h LYS 72 N 0.00 0.10 0.06 2.37 3.64 -1.00 0.11 116.57 121.85 2hfq h LYS 72 Ca -0.00 -0.07 -0.22 0.00 -1.27 0.00 0.00 60.65 59.09 2hfq h LYS 72 Cb 0.58 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2hfq h LYS 72 CO 0.04 0.65 -1.14 1.96 -2.27 0.00 0.00 179.45 178.68 2hfq h GLN 73 N 0.08 0.12 0.00 1.90 4.20 -0.80 -3.40 115.11 117.21 2hfq h GLN 73 Ca -0.00 -0.21 -0.27 0.00 0.06 0.00 0.00 58.65 58.23 2hfq h GLN 73 Cb 1.04 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.85 2hfq h GLN 73 CO 0.08 1.10 -1.98 0.09 -0.67 0.00 0.00 178.83 177.45 2hfq n ASN 74 N -4.20 0.39 0.00 1.46 3.02 -0.13 -4.96 115.26 110.84 2hfq n ASN 74 Ca -0.25 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2hfq n ASN 74 Cb 0.76 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.60 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 1.58 0.92 3.56 7.41 0.00 0.38 -5.00 105.19 114.05 2hfq n GLY 75 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.36 -0.42 -0.24 1.61 -0.85 -1.25 -4.75 117.35 109.09 2hfq s TYR 76 Ca 0.00 0.13 -0.03 0.00 -0.52 0.00 0.00 57.07 56.65 2hfq s TYR 76 Cb 0.00 0.61 0.11 0.00 0.38 0.00 0.00 41.96 43.06 2hfq s TYR 76 CO 0.00 -0.95 0.27 0.12 -1.52 0.00 0.00 175.55 173.46 2hfq s PHE 77 N -3.76 -0.42 -0.29 -3.49 5.36 -0.67 -4.40 117.98 110.31 2hfq s PHE 77 Ca 0.04 0.17 -0.24 0.00 -0.96 0.00 0.00 56.93 55.95 2hfq s PHE 77 Cb -0.03 -0.34 -0.00 0.00 -0.34 0.00 0.00 43.02 42.31 2hfq s PHE 77 CO -0.06 -0.73 0.82 0.42 -1.46 0.00 0.00 175.22 174.20 2hfq s ILE 78 N 2.37 4.79 -0.26 3.12 1.09 -1.26 0.04 121.20 131.09 2hfq s ILE 78 Ca 0.09 1.32 -0.16 0.00 -1.10 0.00 0.00 60.65 60.79 2hfq s ILE 78 Cb -0.15 -4.15 -0.03 0.00 -1.06 0.00 0.00 42.46 37.06 2hfq s ILE 78 CO -0.20 -0.22 0.44 -0.47 -0.10 0.00 0.00 174.94 174.40 2hfq s TYR 79 N 2.97 3.27 -0.74 3.97 5.04 0.03 -5.00 117.35 126.90 2hfq s TYR 79 Ca 0.34 0.54 -0.26 0.00 -2.44 0.00 0.00 57.07 55.25 2hfq s TYR 79 Cb -0.14 -2.63 -0.01 0.00 0.35 0.00 0.00 41.96 39.52 2hfq s TYR 79 CO 0.11 -0.22 1.74 0.15 -1.34 0.00 0.00 175.55 175.98 2hfq s LYS 80 N 2.08 2.80 0.00 4.97 1.02 -1.26 -2.95 119.74 126.40 2hfq s LYS 80 Ca 0.18 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.27 2hfq s LYS 80 Cb -0.16 -4.58 0.00 0.00 -0.52 0.00 0.00 37.83 32.57 2hfq s LYS 80 CO 0.09 -2.72 0.01 -0.12 -0.92 0.00 0.00 175.35 171.69 2hfq n MET 81 N 9.13 0.00 -4.25 1.68 1.56 -1.25 -4.88 117.12 119.10 2hfq n MET 81 Ca 0.23 0.00 -0.21 0.00 -0.27 0.00 0.00 57.70 57.45 2hfq n MET 81 Cb 0.50 -0.45 -0.12 0.00 2.15 0.00 0.00 33.22 35.31 2hfq n MET 81 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 2hfq s GLU 82 N -0.02 1.05 0.00 2.12 -1.05 -0.86 -4.65 118.70 115.29 2hfq s GLU 82 Ca 0.00 -1.17 0.00 0.00 -0.15 0.00 0.00 54.97 53.65 2hfq s GLU 82 Cb 0.00 -1.12 0.00 0.00 -0.44 0.00 0.00 34.13 32.57 2hfq s GLU 82 CO 0.00 0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.86 2hfq n GLY 83 N 0.86 0.35 3.30 -3.83 0.00 -1.26 -3.71 105.19 100.90 2hfq n GLY 83 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32