#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 3.25 -0.22 3.17 -0.21 -1.26 -3.40 119.66 120.99 2hfq s GLN 2 Ca 0.00 -0.73 -0.14 0.00 0.02 0.00 0.00 55.36 54.51 2hfq s GLN 2 Cb 0.00 -2.84 -0.04 0.00 1.00 0.00 0.00 33.01 31.13 2hfq s GLN 2 CO 0.00 0.49 0.33 0.96 -2.12 0.00 0.00 175.29 174.95 2hfq s ILE 3 N -1.80 5.24 -0.21 1.08 -4.36 0.54 -4.20 121.20 117.48 2hfq s ILE 3 Ca 0.33 0.55 -0.20 0.00 -0.26 0.00 0.00 60.65 61.07 2hfq s ILE 3 Cb -0.10 -3.66 -0.02 0.00 1.25 0.00 0.00 42.46 39.92 2hfq s ILE 3 CO 0.27 0.27 0.62 -1.00 0.24 0.00 0.00 174.94 175.33 2hfq s HIS 4 N 1.34 3.35 -0.42 1.37 3.76 0.12 -1.54 115.29 123.26 2hfq s HIS 4 Ca 0.15 0.88 -0.19 0.00 -0.15 0.00 0.00 55.06 55.75 2hfq s HIS 4 Cb -0.15 -2.80 0.02 0.00 1.11 0.00 0.00 32.58 30.77 2hfq s HIS 4 CO 0.07 -0.21 0.52 0.08 -0.85 0.00 0.00 174.74 174.35 2hfq s VAL 5 N 2.05 4.98 -0.49 -0.90 1.01 0.26 -2.65 120.40 124.67 2hfq s VAL 5 Ca 0.27 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.06 2hfq s VAL 5 Cb -0.16 -4.10 0.13 0.00 0.00 0.00 0.00 36.38 32.25 2hfq s VAL 5 CO 0.10 -0.48 0.34 -0.31 0.00 0.00 0.00 175.10 174.75 2hfq s TYR 6 N 2.42 3.49 -0.40 5.22 1.51 -0.97 -2.53 117.35 126.09 2hfq s TYR 6 Ca 0.17 -2.14 -0.27 0.00 -1.01 0.00 0.00 57.07 53.82 2hfq s TYR 6 Cb -0.16 -3.41 -0.04 0.00 -0.11 0.00 0.00 41.96 38.25 2hfq s TYR 6 CO 0.16 -0.97 2.09 -0.51 -1.11 0.00 0.00 175.55 175.20 2hfq s ASP 7 N 2.17 5.26 -0.32 2.29 1.11 0.27 -2.01 116.67 125.44 2hfq s ASP 7 Ca 0.08 1.21 -0.15 0.00 0.18 0.00 0.00 52.55 53.87 2hfq s ASP 7 Cb -0.24 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.22 2hfq s ASP 7 CO -0.02 -2.23 0.37 -0.89 1.18 0.00 0.00 175.17 173.58 2hfq s THR 8 N 9.15 5.16 -0.39 -1.27 2.01 -0.34 -0.36 115.64 129.60 2hfq s THR 8 Ca 0.88 0.22 -0.14 0.00 0.31 0.00 0.00 61.69 62.96 2hfq s THR 8 Cb -0.22 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.52 2hfq s THR 8 CO 0.29 -0.02 0.27 -0.31 -0.69 0.00 0.00 174.62 174.17 2hfq s TYR 9 N 2.05 3.24 -0.30 4.92 1.51 -0.18 -2.21 117.35 126.39 2hfq s TYR 9 Ca 0.13 -0.59 -0.07 0.00 -1.01 0.00 0.00 57.07 55.52 2hfq s TYR 9 Cb -0.16 -2.54 0.01 0.00 -0.11 0.00 0.00 41.96 39.15 2hfq s TYR 9 CO 0.11 -0.56 0.09 0.08 -1.11 0.00 0.00 175.55 174.16 2hfq s VAL 10 N 1.66 4.06 -1.14 0.71 1.01 0.34 -4.61 120.40 122.43 2hfq s VAL 10 Ca 0.05 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 2hfq s VAL 10 Cb -0.19 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.11 2hfq s VAL 10 CO 0.09 0.08 1.75 -0.54 0.00 0.00 0.00 175.10 176.48 2hfq s LYS 11 N 1.52 3.31 -0.85 2.72 1.02 -1.26 0.09 119.74 126.28 2hfq s LYS 11 Ca 0.03 -1.31 -0.25 0.00 0.02 0.00 0.00 55.97 54.46 2hfq s LYS 11 Cb -0.17 -5.35 0.04 0.00 -0.52 0.00 0.00 37.83 31.83 2hfq s LYS 11 CO 0.03 -2.83 1.37 0.00 -0.92 0.00 0.00 175.35 173.00 2hfq s ALA 12 N 6.96 2.70 0.41 5.17 0.00 -1.23 -4.88 121.76 130.90 2hfq s ALA 12 Ca 0.58 -1.72 0.15 0.00 0.00 0.00 0.00 51.96 50.97 2hfq s ALA 12 Cb 0.00 -4.38 1.03 0.00 0.00 0.00 0.00 23.12 19.77 2hfq s ALA 12 CO 0.03 -3.46 1.88 1.57 0.00 0.00 0.00 175.76 175.78 2hfq h LYS 13 N 10.07 0.44 -0.02 0.00 -0.00 -1.91 -1.26 116.57 123.89 2hfq h LYS 13 Ca -0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.55 2hfq h LYS 13 Cb 1.04 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 33.17 2hfq h LYS 13 CO 1.34 0.29 -0.23 -0.40 -0.00 0.00 0.00 179.45 180.45 2hfq n ASP 14 N -4.51 2.19 0.00 7.07 5.75 -1.26 -4.84 116.55 120.95 2hfq n ASP 14 Ca 0.17 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 2hfq n ASP 14 Cb 0.60 0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.97 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 1.22 0.56 3.57 6.12 0.00 -0.52 -5.15 105.19 110.99 2hfq n GLY 15 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 2hfq n GLY 15 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2hfq s HIS 16 N 0.08 -0.53 -0.30 1.61 2.46 -0.94 -5.02 115.29 112.64 2hfq s HIS 16 Ca 0.00 1.01 -0.29 0.00 0.47 0.00 0.00 55.06 56.25 2hfq s HIS 16 Cb 0.00 0.41 -0.06 0.00 -0.13 0.00 0.00 32.58 32.79 2hfq s HIS 16 CO 0.00 -0.43 2.27 0.28 -2.47 0.00 0.00 174.74 174.39 2hfq n VAL 17 N 1.18 0.23 -2.68 0.89 0.31 -1.26 -3.48 118.33 113.52 2hfq n VAL 17 Ca -0.14 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.27 2hfq n VAL 17 Cb 0.57 -2.47 -0.03 0.00 -0.91 0.00 0.00 33.84 31.00 2hfq n VAL 17 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 2hfq s MET 18 N 6.78 4.48 -0.26 5.55 -1.94 0.11 -4.72 119.30 129.30 2hfq s MET 18 Ca 1.02 1.43 0.02 0.00 -1.71 0.00 0.00 55.69 56.45 2hfq s MET 18 Cb -0.38 -3.50 0.06 0.00 2.01 0.00 0.00 34.83 33.01 2hfq s MET 18 CO 0.35 -0.21 -0.10 -1.58 -0.01 0.00 0.00 175.02 173.47 2hfq s HIS 19 N 1.58 3.24 0.02 -0.03 2.46 -1.26 -0.50 115.29 120.80 2hfq s HIS 19 Ca 0.51 -2.23 0.01 0.00 0.47 0.00 0.00 55.06 53.82 2hfq s HIS 19 Cb -0.20 -1.95 -0.01 0.00 -0.13 0.00 0.00 32.58 30.28 2hfq s HIS 19 CO 0.23 -0.87 -0.06 -0.59 -2.47 0.00 0.00 174.74 170.99 2hfq s PHE 20 N 1.13 0.48 -0.27 3.88 -0.71 -0.94 -3.59 117.98 117.96 2hfq s PHE 20 Ca -0.08 -0.33 -0.14 0.00 -1.04 0.00 0.00 56.93 55.34 2hfq s PHE 20 Cb -0.20 -0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.27 2hfq s PHE 20 CO -0.05 -0.07 0.35 -0.51 -1.34 0.00 0.00 175.22 173.60 2hfq s ASP 21 N -0.96 6.22 -0.48 1.98 1.01 -0.53 -1.20 116.67 122.72 2hfq s ASP 21 Ca -0.06 0.24 -0.21 0.00 0.71 0.00 0.00 52.55 53.24 2hfq s ASP 21 Cb -0.07 -2.20 0.04 0.00 1.01 0.00 0.00 42.92 41.70 2hfq s ASP 21 CO -0.00 -0.17 0.68 -0.69 0.21 0.00 0.00 175.17 175.20 2hfq s VAL 22 N 2.03 4.78 -0.21 -1.27 1.01 -0.85 -0.67 120.40 125.23 2hfq s VAL 22 Ca 0.14 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 2hfq s VAL 22 Cb -0.16 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2hfq s VAL 22 CO 0.10 -0.75 0.53 -0.36 0.00 0.00 0.00 175.10 174.62 2hfq s PHE 23 N 2.90 3.36 0.05 5.22 0.08 -0.29 -2.30 117.98 127.00 2hfq s PHE 23 Ca 0.21 0.77 -0.15 0.00 0.12 0.00 0.00 56.93 57.87 2hfq s PHE 23 Cb -0.16 -2.69 0.03 0.00 -0.57 0.00 0.00 43.02 39.63 2hfq s PHE 23 CO 0.16 -0.13 0.35 -0.08 -0.10 0.00 0.00 175.22 175.42 2hfq s THR 24 N 1.75 0.07 -0.87 0.64 -1.32 -1.08 -0.69 115.64 114.14 2hfq s THR 24 Ca 0.24 -0.60 0.25 0.00 -1.21 0.00 0.00 61.69 60.37 2hfq s THR 24 Cb -0.15 -0.97 0.01 0.00 -1.51 0.00 0.00 72.50 69.87 2hfq s THR 24 CO 0.10 -0.33 1.35 -0.90 -2.21 0.00 0.00 174.62 172.63 2hfq n ASP 25 N 0.47 0.56 -4.46 8.08 5.75 -1.26 0.12 116.55 125.80 2hfq n ASP 25 Ca -0.18 -0.14 -0.43 0.00 -0.01 0.00 0.00 54.79 54.02 2hfq n ASP 25 Cb 0.60 0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 40.93 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 -3.06 4.30 -1.41 2.12 1.01 -1.26 -4.89 120.40 117.20 2hfq s VAL 26 Ca 0.09 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 2hfq s VAL 26 Cb 0.16 -4.69 0.06 0.00 0.00 0.00 0.00 36.38 31.92 2hfq s VAL 26 CO 0.71 -1.46 2.41 -2.11 0.00 0.00 0.00 175.10 174.65 2hfq n ARG 27 N 7.78 3.92 -4.09 2.72 1.85 -1.26 -4.81 116.66 122.77 2hfq n ARG 27 Ca -0.03 -3.03 -0.34 0.00 -1.00 0.00 0.00 57.85 53.44 2hfq n ARG 27 Cb 0.46 -2.83 -0.14 0.00 -1.05 0.00 0.00 32.46 28.90 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 1.32 4.16 0.33 2.89 1.11 -1.26 -5.00 116.67 120.22 2hfq s ASP 28 Ca 0.54 -0.40 0.01 0.00 0.18 0.00 0.00 52.55 52.89 2hfq s ASP 28 Cb 0.16 -1.69 0.58 0.00 1.07 0.00 0.00 42.92 43.03 2hfq s ASP 28 CO -0.06 0.02 1.98 0.44 1.18 0.00 0.00 175.17 178.73 2hfq h ASP 29 N 7.81 0.76 -0.51 0.27 3.32 -2.00 -0.49 116.42 125.57 2hfq h ASP 29 Ca -0.39 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 2hfq h ASP 29 Cb 1.17 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 2hfq h ASP 29 CO 0.60 0.58 -0.02 0.50 -1.72 0.00 0.00 179.24 179.18 2hfq h LYS 30 N 0.88 0.92 -0.52 3.56 3.64 -1.98 -2.97 116.57 120.10 2hfq h LYS 30 Ca 0.23 -0.30 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 2hfq h LYS 30 Cb -0.05 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2hfq h LYS 30 CO -0.05 0.95 -0.04 0.87 -2.27 0.00 0.00 179.45 178.92 2hfq h LYS 31 N 0.79 0.90 -0.21 1.90 1.79 -1.60 0.23 116.57 120.37 2hfq h LYS 31 Ca 0.14 -0.28 0.04 0.00 -2.18 0.00 0.00 60.65 58.37 2hfq h LYS 31 Cb 0.55 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 2hfq h LYS 31 CO 0.03 0.92 -0.02 0.00 -1.08 0.00 0.00 179.45 179.30 2hfq h ALA 32 N 1.13 0.17 -0.49 3.86 0.00 -1.09 0.39 119.26 123.23 2hfq h ALA 32 Ca 0.15 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2hfq h ALA 32 Cb 0.54 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2hfq h ALA 32 CO 0.03 -0.45 0.10 0.82 0.00 0.00 0.00 179.25 179.76 2hfq h ILE 33 N 0.04 1.24 -0.22 0.00 2.04 -1.34 -2.35 117.51 116.93 2hfq h ILE 33 Ca 0.10 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2hfq h ILE 33 Cb 0.14 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2hfq h ILE 33 CO -0.19 0.31 0.14 -0.08 0.00 0.00 0.00 178.15 178.33 2hfq h GLU 34 N 0.67 0.29 -0.73 2.37 4.81 0.04 -1.10 114.58 120.93 2hfq h GLU 34 Ca 0.15 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2hfq h GLU 34 Cb 0.35 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2hfq h GLU 34 CO 0.00 0.22 0.30 0.74 -0.73 0.00 0.00 179.01 179.54 2hfq h PHE 35 N 0.28 1.09 -0.67 0.92 0.04 -0.20 0.45 116.94 118.84 2hfq h PHE 35 Ca 0.08 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2hfq h PHE 35 Cb -0.00 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 37.78 2hfq h PHE 35 CO -0.05 0.82 0.37 0.00 -0.60 0.00 0.00 178.31 178.85 2hfq h ALA 36 N 1.27 0.86 0.00 2.45 0.00 -1.02 -0.46 119.26 122.36 2hfq h ALA 36 Ca 0.25 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2hfq h ALA 36 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2hfq h ALA 36 CO -0.02 0.37 -0.52 0.87 0.00 0.00 0.00 179.25 179.95 2hfq h LYS 37 N 0.92 0.00 -0.29 0.00 1.57 -0.61 -0.10 116.57 118.05 2hfq h LYS 37 Ca 0.24 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2hfq h LYS 37 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2hfq h LYS 37 CO -0.04 0.52 0.06 1.96 -0.57 0.00 0.00 179.45 181.38 2hfq h GLN 38 N 0.00 0.48 -0.34 3.15 1.08 -0.34 -0.07 115.11 119.07 2hfq h GLN 38 Ca -0.01 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.03 2hfq h GLN 38 Cb 0.95 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 2hfq h GLN 38 CO 0.07 0.57 0.06 2.35 -0.95 0.00 0.00 178.83 180.93 2hfq h TRP 39 N 0.31 0.60 -0.83 2.96 7.01 -0.84 -1.95 115.95 123.21 2hfq h TRP 39 Ca 0.09 -0.08 0.04 0.00 2.11 0.00 0.00 58.89 61.05 2hfq h TRP 39 Cb 0.31 -0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 27.16 2hfq h TRP 39 CO 0.02 0.62 0.55 -0.07 -2.79 0.00 0.00 178.44 176.77 2hfq h LEU 40 N 0.40 0.87 -0.46 0.65 3.38 -0.96 -0.79 115.31 118.40 2hfq h LEU 40 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2hfq h LEU 40 Cb 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2hfq h LEU 40 CO 0.01 0.59 0.22 -1.28 0.09 0.00 0.00 178.44 178.06 2hfq h SER 41 N 1.01 0.61 -0.33 -0.43 0.87 -0.64 0.33 113.55 114.97 2hfq h SER 41 Ca 0.34 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 2hfq h SER 41 Cb 0.08 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2hfq h SER 41 CO -0.11 0.57 0.03 0.28 -0.53 0.00 0.00 176.83 177.08 2hfq h SER 42 N 0.60 0.54 0.68 6.23 0.02 -0.59 -2.61 113.55 118.43 2hfq h SER 42 Ca 0.16 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2hfq h SER 42 Cb 0.13 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2hfq h SER 42 CO -0.02 0.69 0.00 2.30 -1.14 0.00 0.00 176.83 178.67 2hfq n ILE 43 N -4.57 0.52 -1.62 3.27 -5.35 -0.38 -4.88 119.36 106.36 2hfq n ILE 43 Ca -0.02 0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 2hfq n ILE 43 Cb 0.24 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.38 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 0.66 0.86 1.09 3.28 0.00 -0.67 -4.98 105.19 105.44 2hfq n GLY 44 Ca 0.06 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.76 0.67 -1.97 1.61 1.02 0.11 -5.02 120.64 116.29 2hfq n GLU 45 Ca 0.00 -2.52 -0.42 0.00 -0.02 0.00 0.00 57.16 54.20 2hfq n GLU 45 Cb 0.37 -0.69 -0.03 0.00 -0.02 0.00 0.00 31.44 31.07 2hfq n GLU 45 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2hfq s GLU 46 N -1.36 4.19 0.00 3.49 -6.30 -1.00 -3.70 118.70 114.02 2hfq s GLU 46 Ca 0.35 2.25 0.00 0.00 -2.50 0.00 0.00 54.97 55.07 2hfq s GLU 46 Cb 0.37 -3.89 0.00 0.00 0.00 0.00 0.00 34.13 30.62 2hfq s GLU 46 CO -0.12 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 174.75 2hfq n GLY 47 N 4.11 0.48 3.72 -1.50 0.00 -1.26 -5.00 105.19 105.74 2hfq n GLY 47 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 3.65 -0.92 4.61 0.00 -1.24 -4.93 121.76 122.93 2hfq s ALA 48 Ca 0.00 1.24 -0.22 0.00 0.00 0.00 0.00 51.96 52.99 2hfq s ALA 48 Cb 0.00 -3.56 0.08 0.00 0.00 0.00 0.00 23.12 19.64 2hfq s ALA 48 CO 0.00 -0.68 1.25 0.99 0.00 0.00 0.00 175.76 177.32 2hfq s THR 49 N 0.76 4.27 -0.26 0.00 2.01 -1.26 -4.98 115.64 116.19 2hfq s THR 49 Ca 0.64 -0.94 -0.27 0.00 0.31 0.00 0.00 61.69 61.43 2hfq s THR 49 Cb -0.40 -4.89 0.01 0.00 0.01 0.00 0.00 72.50 67.22 2hfq s THR 49 CO 0.34 -1.70 0.94 -0.69 -0.69 0.00 0.00 174.62 172.82 2hfq s VAL 50 N 4.02 4.71 0.01 3.82 1.01 -1.26 -4.86 120.40 127.85 2hfq s VAL 50 Ca 0.37 1.70 0.00 0.00 0.00 0.00 0.00 61.98 64.05 2hfq s VAL 50 Cb -0.05 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 2hfq s VAL 50 CO -0.05 -0.22 0.00 0.35 0.00 0.00 0.00 175.10 175.18 2hfq n THR 51 N 5.44 0.00 0.36 3.92 -2.24 -1.26 -4.98 114.28 115.51 2hfq n THR 51 Ca 0.09 -0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.93 2hfq n THR 51 Cb 0.47 0.02 0.45 0.00 -2.10 0.00 0.00 70.33 69.17 2hfq n THR 51 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2hfq n SER 52 N -2.42 0.51 0.08 3.42 7.64 -1.26 -1.84 113.62 119.75 2hfq n SER 52 Ca -0.00 0.65 -0.14 0.00 1.01 0.00 0.00 58.87 60.38 2hfq n SER 52 Cb 0.01 -0.75 -0.14 0.00 -1.01 0.00 0.00 64.21 62.33 2hfq n SER 52 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2hfq h GLU 53 N 0.00 0.21 0.02 1.43 4.81 -1.95 -3.39 114.58 115.71 2hfq h GLU 53 Ca 0.00 -0.35 -0.09 0.00 -0.13 0.00 0.00 59.36 58.79 2hfq h GLU 53 Cb 0.27 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2hfq h GLU 53 CO 0.00 1.11 -0.46 0.93 -0.73 0.00 0.00 179.01 179.86 2hfq h GLU 54 N 0.06 0.05 -5.60 1.92 4.39 -1.63 -3.45 114.58 110.32 2hfq h GLU 54 Ca -0.16 -0.08 -0.59 0.00 0.34 0.00 0.00 59.36 58.88 2hfq h GLU 54 Cb 1.96 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 30.54 2hfq h GLU 54 CO 0.17 1.04 -0.20 0.00 -1.16 0.00 0.00 179.01 178.86 2hfq s ARG 56 N 0.78 3.01 -0.54 0.00 3.52 0.52 -4.71 118.95 121.52 2hfq s ARG 56 Ca 0.22 -0.82 -0.25 0.00 -0.13 0.00 0.00 55.73 54.75 2hfq s ARG 56 Cb -0.14 -2.58 0.04 0.00 -1.56 0.00 0.00 34.95 30.70 2hfq s ARG 56 CO 0.08 -0.20 0.97 0.12 -0.81 0.00 0.00 175.30 175.46 2hfq s PHE 57 N 1.27 2.79 -0.16 5.12 5.36 -1.26 -0.56 117.98 130.53 2hfq s PHE 57 Ca 0.04 0.10 -0.12 0.00 -0.96 0.00 0.00 56.93 55.99 2hfq s PHE 57 Cb -0.13 -4.12 -0.07 0.00 -0.34 0.00 0.00 43.02 38.36 2hfq s PHE 57 CO -0.12 -1.35 -0.10 0.00 -1.46 0.00 0.00 175.22 172.19 2hfq s HIS 59 N -2.30 0.21 0.04 0.00 -3.43 -1.25 -5.05 115.29 103.51 2hfq s HIS 59 Ca -0.19 -0.89 0.04 0.00 -0.80 0.00 0.00 55.06 53.22 2hfq s HIS 59 Cb 0.03 0.80 -0.02 0.00 -1.43 0.00 0.00 32.58 31.96 2hfq s HIS 59 CO 0.31 -1.59 -0.12 -1.12 -2.00 0.00 0.00 174.74 170.22 2hfq s SER 60 N -3.10 1.35 0.19 7.38 0.01 -1.26 -0.57 113.70 117.70 2hfq s SER 60 Ca 0.17 -0.47 -0.10 0.00 1.31 0.00 0.00 55.95 56.86 2hfq s SER 60 Cb -0.05 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 2hfq s SER 60 CO 0.13 -0.04 0.35 -1.83 0.41 0.00 0.00 173.24 172.25 2hfq s GLU 61 N -1.23 1.29 0.58 12.44 -1.05 -0.59 -4.97 118.70 125.17 2hfq s GLU 61 Ca -0.02 -1.20 -0.20 0.00 -0.15 0.00 0.00 54.97 53.40 2hfq s GLU 61 Cb -0.08 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 33.98 2hfq s GLU 61 CO 0.01 -0.50 1.31 -1.59 0.95 0.00 0.00 175.26 175.44 2hfq s LYS 62 N -3.99 2.97 -0.10 -4.83 0.00 -1.26 -0.34 119.74 112.19 2hfq s LYS 62 Ca 0.20 2.11 0.03 0.00 0.00 0.00 0.00 55.97 58.30 2hfq s LYS 62 Cb 0.02 -2.09 -0.01 0.00 0.00 0.00 0.00 37.83 35.75 2hfq s LYS 62 CO 0.03 -1.29 -0.20 0.00 0.00 0.00 0.00 175.35 173.89 2hfq s ALA 63 N -1.38 2.33 0.35 0.59 0.00 -1.22 -4.65 121.76 117.78 2hfq s ALA 63 Ca 0.75 -0.96 -0.28 0.00 0.00 0.00 0.00 51.96 51.47 2hfq s ALA 63 Cb -0.38 -0.91 -0.11 0.00 0.00 0.00 0.00 23.12 21.72 2hfq s ALA 63 CO 0.43 0.31 1.42 -2.14 0.00 0.00 0.00 175.76 175.78 2hfq s PRO 64 N 0.21 4.21 0.55 0.00 0.02 -1.26 -4.90 135.00 133.82 2hfq s PRO 64 Ca -0.13 2.42 0.24 0.00 0.02 0.00 0.00 61.00 63.56 2hfq s PRO 64 Cb -0.16 -3.01 1.55 0.00 0.02 0.00 0.00 34.50 32.90 2hfq s PRO 64 CO 0.07 -0.40 2.18 0.22 -0.33 0.00 0.00 177.00 178.74 2hfq h ASP 65 N 3.28 0.00 -0.45 2.53 3.58 -1.98 -1.88 116.42 121.50 2hfq h ASP 65 Ca -0.50 0.00 0.03 0.00 0.42 0.00 0.00 57.03 56.98 2hfq h ASP 65 Cb 1.23 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.25 2hfq h ASP 65 CO 0.66 0.03 0.24 -0.08 -2.88 0.00 0.00 179.24 177.21 2hfq h GLU 66 N 0.00 0.46 0.00 0.28 4.81 -2.01 -0.42 114.58 117.70 2hfq h GLU 66 Ca -0.00 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 2hfq h GLU 66 Cb 0.07 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2hfq h GLU 66 CO 0.00 0.31 -0.66 -0.39 -0.73 0.00 0.00 179.01 177.54 2hfq h VAL 67 N 0.48 1.24 -0.66 0.32 -1.51 -1.74 -3.04 116.25 111.34 2hfq h VAL 67 Ca 0.19 -2.45 -0.03 0.00 -1.23 0.00 0.00 66.70 63.18 2hfq h VAL 67 Cb 0.07 2.42 -0.03 0.00 -2.13 0.00 0.00 31.29 31.61 2hfq h VAL 67 CO -0.12 0.64 0.31 0.40 -1.23 0.00 0.00 177.57 177.57 2hfq h ILE 68 N 0.00 1.22 -0.95 7.19 1.08 -0.98 -1.83 117.51 123.24 2hfq h ILE 68 Ca -0.01 -0.62 0.15 0.00 -0.39 0.00 0.00 64.86 63.99 2hfq h ILE 68 Cb 1.36 0.38 -0.08 0.00 -3.07 0.00 0.00 36.82 35.42 2hfq h ILE 68 CO 0.09 0.26 0.60 -0.08 -0.69 0.00 0.00 178.15 178.32 2hfq h GLU 69 N 0.93 0.77 0.22 2.37 4.57 -0.97 -0.94 114.58 121.53 2hfq h GLU 69 Ca 0.23 -0.05 -0.34 0.00 -1.18 0.00 0.00 59.36 58.02 2hfq h GLU 69 Cb 0.11 -0.17 0.02 0.00 -0.16 0.00 0.00 28.75 28.55 2hfq h GLU 69 CO -0.03 0.51 -1.59 0.00 -1.18 0.00 0.00 179.01 176.72 2hfq h ALA 70 N 1.59 -0.01 -0.91 2.92 0.00 -1.54 -3.34 119.26 117.96 2hfq h ALA 70 Ca 0.49 -0.99 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2hfq h ALA 70 Cb 0.69 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2hfq h ALA 70 CO -0.25 0.86 0.51 0.82 0.00 0.00 0.00 179.25 181.19 2hfq h ILE 71 N 0.13 1.26 -0.94 0.00 2.04 -0.61 0.30 117.51 119.68 2hfq h ILE 71 Ca -0.29 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 64.95 2hfq h ILE 71 Cb 2.13 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 2hfq h ILE 71 CO 0.23 0.29 0.61 0.11 0.00 0.00 0.00 178.15 179.39 2hfq h LYS 72 N 1.27 1.25 0.02 2.37 1.57 -1.33 0.20 116.57 121.93 2hfq h LYS 72 Ca 0.32 -0.09 -0.27 0.00 -1.87 0.00 0.00 60.65 58.75 2hfq h LYS 72 Cb 0.01 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.01 2hfq h LYS 72 CO -0.05 0.84 -1.46 0.94 -0.57 0.00 0.00 179.45 179.15 2hfq n GLN 73 N -4.38 0.60 0.07 3.15 -0.06 -1.00 -4.47 117.38 111.30 2hfq n GLN 73 Ca 0.11 0.51 -0.12 0.00 -2.00 0.00 0.00 57.00 55.49 2hfq n GLN 73 Cb 0.03 -1.73 -0.13 0.00 -4.06 0.00 0.00 30.24 24.35 2hfq n GLN 73 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 2hfq h ASN 74 N -0.81 0.23 0.00 1.69 2.35 -0.46 -3.47 115.58 115.11 2hfq h ASN 74 Ca -0.38 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 2hfq h ASN 74 Cb 1.45 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.75 2hfq h ASN 74 CO -0.17 1.21 0.00 0.61 -1.65 0.00 0.00 177.43 177.44 2hfq n GLY 75 N 1.49 1.09 3.37 2.83 0.00 0.71 -5.01 105.19 109.67 2hfq n GLY 75 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.28 -0.38 -0.22 1.61 1.13 -1.25 -4.75 117.35 111.21 2hfq s TYR 76 Ca 0.00 0.13 -0.01 0.00 -1.41 0.00 0.00 57.07 55.78 2hfq s TYR 76 Cb 0.00 0.41 0.06 0.00 -1.10 0.00 0.00 41.96 41.33 2hfq s TYR 76 CO 0.00 -0.77 -0.02 0.12 -2.51 0.00 0.00 175.55 172.37 2hfq s PHE 77 N -3.71 1.92 -0.79 -3.49 5.36 0.13 -4.28 117.98 113.11 2hfq s PHE 77 Ca 0.02 -1.46 -0.25 0.00 -0.96 0.00 0.00 56.93 54.28 2hfq s PHE 77 Cb 0.00 -1.41 0.05 0.00 -0.34 0.00 0.00 43.02 41.33 2hfq s PHE 77 CO -0.12 -0.72 1.24 0.42 -1.46 0.00 0.00 175.22 174.58 2hfq s ILE 78 N 1.56 3.94 -0.77 3.12 -1.09 -1.26 -1.13 121.20 125.56 2hfq s ILE 78 Ca -0.04 -0.11 -0.26 0.00 -2.23 0.00 0.00 60.65 58.01 2hfq s ILE 78 Cb -0.18 -4.89 0.03 0.00 -1.58 0.00 0.00 42.46 35.83 2hfq s ILE 78 CO -0.07 -1.77 1.34 -0.47 -1.23 0.00 0.00 174.94 172.73 2hfq s TYR 79 N 5.06 2.27 -0.68 3.97 5.04 0.16 -4.94 117.35 128.22 2hfq s TYR 79 Ca 0.34 -0.09 -0.26 0.00 -2.44 0.00 0.00 57.07 54.62 2hfq s TYR 79 Cb -0.08 -4.60 -0.05 0.00 0.35 0.00 0.00 41.96 37.58 2hfq s TYR 79 CO 0.07 -2.07 2.04 0.15 -1.34 0.00 0.00 175.55 174.40 2hfq s LYS 80 N 5.73 2.40 0.51 4.97 1.02 -1.26 -1.45 119.74 131.66 2hfq s LYS 80 Ca 0.39 0.51 -0.14 0.00 0.02 0.00 0.00 55.97 56.75 2hfq s LYS 80 Cb -0.07 -4.64 -0.07 0.00 -0.52 0.00 0.00 37.83 32.53 2hfq s LYS 80 CO 0.12 -3.18 0.94 1.41 -0.92 0.00 0.00 175.35 173.72 2hfq s MET 81 N 7.46 3.83 0.28 1.68 -2.45 -1.24 -5.00 119.30 123.87 2hfq s MET 81 Ca 0.76 0.78 -0.30 0.00 -1.25 0.00 0.00 55.69 55.69 2hfq s MET 81 Cb -0.12 -2.19 -0.13 0.00 1.25 0.00 0.00 34.83 33.64 2hfq s MET 81 CO 0.15 -0.27 1.41 -0.85 1.05 0.00 0.00 175.02 176.50 2hfq n GLU 82 N -1.76 2.18 0.00 4.11 0.00 -1.26 -3.27 120.64 120.64 2hfq n GLU 82 Ca 0.05 0.77 0.00 0.00 0.00 0.00 0.00 57.16 57.98 2hfq n GLU 82 Cb 0.54 -2.43 0.00 0.00 0.00 0.00 0.00 31.44 29.55 2hfq n GLU 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hfq n GLY 83 N 1.74 1.17 1.55 -1.84 0.00 -1.26 -4.61 105.19 101.94 2hfq n GLY 83 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32