#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 4.13 -0.21 2.12 -0.21 -1.26 -0.66 119.66 123.57 2hfq s GLN 2 Ca 0.00 0.06 -0.17 0.00 0.02 0.00 0.00 55.36 55.28 2hfq s GLN 2 Cb 0.00 -3.55 -0.04 0.00 1.00 0.00 0.00 33.01 30.42 2hfq s GLN 2 CO 0.00 -0.04 0.43 0.96 -2.12 0.00 0.00 175.29 174.53 2hfq s ILE 3 N 1.33 5.17 -0.55 1.08 -4.36 0.71 -4.52 121.20 120.05 2hfq s ILE 3 Ca 0.16 0.77 -0.26 0.00 -0.26 0.00 0.00 60.65 61.05 2hfq s ILE 3 Cb -0.15 -3.76 0.03 0.00 1.25 0.00 0.00 42.46 39.84 2hfq s ILE 3 CO 0.07 0.22 1.06 -1.00 0.24 0.00 0.00 174.94 175.53 2hfq s HIS 4 N 1.47 2.72 -0.55 1.37 3.76 0.79 -2.45 115.29 122.41 2hfq s HIS 4 Ca 0.20 0.25 -0.25 0.00 -0.15 0.00 0.00 55.06 55.11 2hfq s HIS 4 Cb -0.15 -4.28 0.04 0.00 1.11 0.00 0.00 32.58 29.30 2hfq s HIS 4 CO 0.09 -1.43 1.00 0.08 -0.85 0.00 0.00 174.74 173.63 2hfq s VAL 5 N 4.40 4.30 -0.54 -0.90 1.01 -0.35 -2.58 120.40 125.74 2hfq s VAL 5 Ca 0.38 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 2hfq s VAL 5 Cb -0.10 -4.57 0.14 0.00 0.00 0.00 0.00 36.38 31.85 2hfq s VAL 5 CO 0.23 -1.14 0.44 -0.31 0.00 0.00 0.00 175.10 174.33 2hfq s TYR 6 N 4.18 3.42 -0.46 5.22 1.51 -0.52 -0.68 117.35 130.00 2hfq s TYR 6 Ca 0.34 -1.79 -0.28 0.00 -1.01 0.00 0.00 57.07 54.34 2hfq s TYR 6 Cb -0.11 -3.60 -0.00 0.00 -0.11 0.00 0.00 41.96 38.14 2hfq s TYR 6 CO 0.22 -0.99 1.62 0.34 -1.11 0.00 0.00 175.55 175.63 2hfq s ASP 7 N 2.74 5.94 -0.41 2.29 2.15 0.61 -0.46 116.67 129.53 2hfq s ASP 7 Ca 0.07 0.75 -0.05 0.00 0.43 0.00 0.00 52.55 53.75 2hfq s ASP 7 Cb -0.25 -2.53 0.10 0.00 -0.30 0.00 0.00 42.92 39.93 2hfq s ASP 7 CO -0.01 -1.77 0.21 -0.89 -0.17 0.00 0.00 175.17 172.54 2hfq s THR 8 N 6.76 3.64 -0.78 1.71 2.01 0.02 0.05 115.64 129.04 2hfq s THR 8 Ca 0.66 -1.75 -0.16 0.00 0.31 0.00 0.00 61.69 60.75 2hfq s THR 8 Cb -0.15 -3.36 0.17 0.00 0.01 0.00 0.00 72.50 69.17 2hfq s THR 8 CO 0.29 -0.58 0.81 -0.31 -0.69 0.00 0.00 174.62 174.13 2hfq s TYR 9 N 1.26 3.46 -0.53 4.92 1.51 -0.32 -3.30 117.35 124.35 2hfq s TYR 9 Ca 0.05 -1.64 -0.24 0.00 -1.01 0.00 0.00 57.07 54.23 2hfq s TYR 9 Cb -0.23 -3.95 0.04 0.00 -0.11 0.00 0.00 41.96 37.72 2hfq s TYR 9 CO -0.02 -1.14 0.90 0.08 -1.11 0.00 0.00 175.55 174.26 2hfq s VAL 10 N 1.23 4.46 -0.86 0.71 1.01 -0.93 -4.83 120.40 121.20 2hfq s VAL 10 Ca 0.18 0.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 2hfq s VAL 10 Cb -0.13 -4.49 0.02 0.00 0.00 0.00 0.00 36.38 31.78 2hfq s VAL 10 CO -0.06 -1.03 1.50 -0.54 0.00 0.00 0.00 175.10 174.97 2hfq s LYS 11 N 3.76 3.20 0.71 2.72 1.02 -1.26 0.26 119.74 130.15 2hfq s LYS 11 Ca 0.30 -0.50 -0.15 0.00 0.02 0.00 0.00 55.97 55.63 2hfq s LYS 11 Cb -0.13 -4.79 0.03 0.00 -0.52 0.00 0.00 37.83 32.42 2hfq s LYS 11 CO 0.19 -2.40 1.18 0.00 -0.92 0.00 0.00 175.35 173.41 2hfq s ALA 12 N 6.38 2.22 -0.03 5.17 0.00 -1.11 -4.76 121.76 129.63 2hfq s ALA 12 Ca 0.48 0.81 -0.23 0.00 0.00 0.00 0.00 51.96 53.01 2hfq s ALA 12 Cb -0.05 -3.43 -0.17 0.00 0.00 0.00 0.00 23.12 19.47 2hfq s ALA 12 CO 0.04 -1.70 1.07 0.87 0.00 0.00 0.00 175.76 176.03 2hfq h LYS 13 N -0.16 -0.23 0.00 0.00 1.57 -1.94 -3.39 116.57 112.42 2hfq h LYS 13 Ca -0.48 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2hfq h LYS 13 Cb 1.28 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2hfq h LYS 13 CO 0.51 0.17 0.00 -0.25 -0.57 0.00 0.00 179.45 179.31 2hfq n ASP 14 N -4.98 0.63 0.00 0.86 9.92 -1.26 -4.91 116.55 116.81 2hfq n ASP 14 Ca -0.08 -0.83 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 2hfq n ASP 14 Cb 0.26 0.27 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 2hfq n ASP 14 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2hfq n GLY 15 N 0.27 1.65 3.75 0.44 0.00 -1.26 -5.13 105.19 104.92 2hfq n GLY 15 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.20 -0.16 -0.30 1.61 -3.43 -1.26 -4.97 115.29 106.97 2hfq s HIS 16 Ca 0.00 -0.15 -0.28 0.00 -0.80 0.00 0.00 55.06 53.83 2hfq s HIS 16 Cb 0.00 0.64 -0.05 0.00 -1.43 0.00 0.00 32.58 31.74 2hfq s HIS 16 CO 0.00 -0.87 2.20 0.08 -2.00 0.00 0.00 174.74 174.15 2hfq s VAL 17 N -3.38 3.07 -0.37 -5.38 1.01 -1.26 -2.73 120.40 111.35 2hfq s VAL 17 Ca 0.11 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 2hfq s VAL 17 Cb -0.02 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 2hfq s VAL 17 CO 0.02 -0.08 1.58 -0.04 0.00 0.00 0.00 175.10 176.58 2hfq s MET 18 N 6.72 3.47 -0.57 2.72 -1.94 0.14 -4.84 119.30 125.00 2hfq s MET 18 Ca 0.97 1.16 -0.21 0.00 -1.71 0.00 0.00 55.69 55.89 2hfq s MET 18 Cb -0.28 -4.10 0.07 0.00 2.01 0.00 0.00 34.83 32.53 2hfq s MET 18 CO 0.32 -1.69 0.79 -1.01 -0.01 0.00 0.00 175.02 173.42 2hfq s HIS 19 N 6.05 2.89 0.08 -0.03 3.76 -1.26 -2.18 115.29 124.61 2hfq s HIS 19 Ca 0.69 -0.55 -0.24 0.00 -0.15 0.00 0.00 55.06 54.81 2hfq s HIS 19 Cb -0.18 -3.94 0.06 0.00 1.11 0.00 0.00 32.58 29.64 2hfq s HIS 19 CO 0.33 -1.31 0.59 -0.59 -0.85 0.00 0.00 174.74 172.91 2hfq s PHE 20 N 3.24 -0.52 0.11 1.40 -0.71 -1.21 -1.12 117.98 119.18 2hfq s PHE 20 Ca 0.19 0.52 0.07 0.00 -1.04 0.00 0.00 56.93 56.66 2hfq s PHE 20 Cb -0.19 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 2hfq s PHE 20 CO 0.11 -0.74 -0.16 0.16 -1.34 0.00 0.00 175.22 173.26 2hfq s ASP 21 N -2.21 2.13 -0.29 1.98 1.47 -0.53 -0.80 116.67 118.41 2hfq s ASP 21 Ca -0.03 -0.75 -0.07 0.00 1.18 0.00 0.00 52.55 52.88 2hfq s ASP 21 Cb -0.01 -0.09 0.00 0.00 -0.34 0.00 0.00 42.92 42.49 2hfq s ASP 21 CO -0.05 -0.07 0.09 -0.69 0.68 0.00 0.00 175.17 175.13 2hfq s VAL 22 N -1.72 4.11 -0.38 2.11 1.01 0.39 -0.75 120.40 125.16 2hfq s VAL 22 Ca 0.07 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 2hfq s VAL 22 Cb -0.07 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.22 2hfq s VAL 22 CO 0.04 0.10 0.63 -0.36 0.00 0.00 0.00 175.10 175.50 2hfq s PHE 23 N 1.53 3.13 0.07 5.22 0.08 0.16 -1.44 117.98 126.72 2hfq s PHE 23 Ca 0.03 0.23 0.04 0.00 0.12 0.00 0.00 56.93 57.35 2hfq s PHE 23 Cb -0.17 -3.18 -0.03 0.00 -0.57 0.00 0.00 43.02 39.08 2hfq s PHE 23 CO 0.03 -0.68 -0.13 -0.08 -0.10 0.00 0.00 175.22 174.26 2hfq s THR 24 N 2.71 1.00 -0.30 0.64 -1.32 -1.07 -0.11 115.64 117.20 2hfq s THR 24 Ca 0.23 -1.32 0.22 0.00 -1.21 0.00 0.00 61.69 59.62 2hfq s THR 24 Cb -0.14 -1.04 0.11 0.00 -1.51 0.00 0.00 72.50 69.92 2hfq s THR 24 CO 0.16 -0.30 1.23 -0.78 -2.21 0.00 0.00 174.62 172.73 2hfq h ASP 25 N 4.22 0.00 -3.94 8.08 3.58 -1.80 0.23 116.42 126.79 2hfq h ASP 25 Ca -0.40 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.52 2hfq h ASP 25 Cb 1.19 0.00 0.09 0.00 1.72 0.00 0.00 39.33 42.34 2hfq h ASP 25 CO 0.42 0.02 0.70 -0.69 -2.88 0.00 0.00 179.24 176.81 2hfq s VAL 26 N -3.30 2.33 -0.30 2.25 1.01 -1.26 -4.90 120.40 116.24 2hfq s VAL 26 Ca 0.02 0.32 0.11 0.00 0.00 0.00 0.00 61.98 62.43 2hfq s VAL 26 Cb 0.08 -3.20 0.72 0.00 0.00 0.00 0.00 36.38 33.98 2hfq s VAL 26 CO 0.75 0.07 1.74 0.54 0.00 0.00 0.00 175.10 178.20 2hfq n ARG 27 N 0.36 3.68 -4.16 2.72 3.00 -1.26 -4.83 116.66 116.17 2hfq n ARG 27 Ca 0.02 -3.09 -0.33 0.00 -0.01 0.00 0.00 57.85 54.44 2hfq n ARG 27 Cb 0.41 -2.16 -0.16 0.00 0.00 0.00 0.00 32.46 30.55 2hfq n ARG 27 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2hfq s ASP 28 N -1.21 3.39 0.28 0.55 -1.08 -1.26 -5.00 116.67 112.35 2hfq s ASP 28 Ca 0.53 -0.58 0.01 0.00 -0.52 0.00 0.00 52.55 51.99 2hfq s ASP 28 Cb 0.43 -1.53 0.41 0.00 -1.46 0.00 0.00 42.92 40.76 2hfq s ASP 28 CO 0.12 0.01 1.76 0.44 0.52 0.00 0.00 175.17 178.03 2hfq h ASP 29 N 7.87 0.61 -0.06 -0.34 5.19 -2.00 -1.39 116.42 126.30 2hfq h ASP 29 Ca -0.43 -0.16 -0.16 0.00 -0.62 0.00 0.00 57.03 55.65 2hfq h ASP 29 Cb 1.15 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 2hfq h ASP 29 CO 0.62 0.74 -0.53 0.50 -3.12 0.00 0.00 179.24 177.46 2hfq h LYS 30 N 0.58 0.63 -0.48 3.56 1.63 -1.99 -2.11 116.57 118.39 2hfq h LYS 30 Ca 0.10 -0.39 -0.08 0.00 -0.85 0.00 0.00 60.65 59.43 2hfq h LYS 30 Cb 0.52 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 2hfq h LYS 30 CO 0.03 1.00 -0.04 0.87 -3.45 0.00 0.00 179.45 177.86 2hfq h LYS 31 N 0.49 0.82 -0.58 1.90 1.79 -1.89 0.19 116.57 119.29 2hfq h LYS 31 Ca 0.01 -0.24 0.01 0.00 -2.18 0.00 0.00 60.65 58.25 2hfq h LYS 31 Cb 1.08 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.62 2hfq h LYS 31 CO 0.10 0.85 0.38 0.00 -1.08 0.00 0.00 179.45 179.70 2hfq h ALA 32 N 1.19 0.73 -0.59 3.86 0.00 -1.02 0.23 119.26 123.67 2hfq h ALA 32 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2hfq h ALA 32 Cb 0.52 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2hfq h ALA 32 CO 0.03 0.16 0.35 0.82 0.00 0.00 0.00 179.25 180.60 2hfq h ILE 33 N 0.77 1.18 -0.03 0.00 2.04 -1.01 -0.94 117.51 119.52 2hfq h ILE 33 Ca 0.21 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.68 2hfq h ILE 33 Cb -0.08 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 2hfq h ILE 33 CO -0.05 0.19 -0.11 -0.08 0.00 0.00 0.00 178.15 178.10 2hfq h GLU 34 N 0.80 -0.16 -0.78 2.37 4.81 0.17 0.13 114.58 121.91 2hfq h GLU 34 Ca 0.21 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2hfq h GLU 34 Cb 0.00 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 2hfq h GLU 34 CO -0.04 -0.11 0.36 0.74 -0.73 0.00 0.00 179.01 179.24 2hfq h PHE 35 N -0.17 1.15 -0.62 0.92 0.04 -0.43 0.09 116.94 117.92 2hfq h PHE 35 Ca 0.05 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 2hfq h PHE 35 Cb 0.23 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 2hfq h PHE 35 CO -0.18 0.84 0.32 0.00 -0.60 0.00 0.00 178.31 178.70 2hfq h ALA 36 N 1.19 0.80 -0.61 2.45 0.00 -0.85 -2.53 119.26 119.70 2hfq h ALA 36 Ca 0.27 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2hfq h ALA 36 Cb 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2hfq h ALA 36 CO -0.03 0.33 0.19 0.87 0.00 0.00 0.00 179.25 180.61 2hfq h LYS 37 N 0.85 0.92 -0.89 0.00 1.57 -0.16 -1.72 116.57 117.14 2hfq h LYS 37 Ca 0.22 -0.18 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 2hfq h LYS 37 Cb 0.07 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 2hfq h LYS 37 CO -0.03 0.80 0.58 1.96 -0.57 0.00 0.00 179.45 182.18 2hfq h GLN 38 N 0.89 0.88 0.04 3.15 4.20 -0.56 0.59 115.11 124.31 2hfq h GLN 38 Ca 0.20 -0.05 -0.27 0.00 0.06 0.00 0.00 58.65 58.59 2hfq h GLN 38 Cb 0.26 -0.20 0.02 0.00 0.30 0.00 0.00 27.48 27.86 2hfq h GLN 38 CO -0.01 0.58 -1.09 2.35 -0.67 0.00 0.00 178.83 179.99 2hfq h TRP 39 N 0.91 0.90 -0.01 2.96 7.01 -1.34 -3.16 115.95 123.21 2hfq h TRP 39 Ca 0.41 -0.52 -0.05 0.00 2.11 0.00 0.00 58.89 60.83 2hfq h TRP 39 Cb 0.37 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 2hfq h TRP 39 CO -0.00 1.36 -0.25 -0.07 -2.79 0.00 0.00 178.44 176.69 2hfq h LEU 40 N 0.30 0.02 -0.82 0.65 3.38 -0.28 -1.90 115.31 116.65 2hfq h LEU 40 Ca -0.14 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 2hfq h LEU 40 Cb 1.75 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2hfq h LEU 40 CO 0.21 0.27 -0.21 0.28 0.09 0.00 0.00 178.44 179.07 2hfq h SER 41 N 0.02 0.65 -0.39 -0.43 0.02 0.11 0.39 113.55 113.92 2hfq h SER 41 Ca 0.00 -0.22 -0.15 0.00 -0.84 0.00 0.00 61.79 60.58 2hfq h SER 41 Cb 0.45 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2hfq h SER 41 CO 0.03 0.86 -0.35 0.28 -1.14 0.00 0.00 176.83 176.51 2hfq h SER 42 N 0.58 0.99 0.68 3.07 0.02 -1.33 -2.81 113.55 114.74 2hfq h SER 42 Ca 0.09 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2hfq h SER 42 Cb 0.67 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2hfq h SER 42 CO 0.05 1.24 -0.35 2.30 -1.14 0.00 0.00 176.83 178.93 2hfq n ILE 43 N -4.09 0.02 -2.31 3.27 -5.35 -0.93 -4.95 119.36 105.03 2hfq n ILE 43 Ca -0.02 -0.01 -0.08 0.00 -0.27 0.00 0.00 62.75 62.36 2hfq n ILE 43 Cb 0.53 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 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 1.49 0.12 0.43 3.28 0.00 0.11 -4.93 105.19 105.68 2hfq n GLY 44 Ca 0.06 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.85 2.18 0.00 1.61 -0.58 0.41 -4.68 120.64 117.73 2hfq n GLU 45 Ca -0.07 -2.57 0.00 0.00 -0.42 0.00 0.00 57.16 54.10 2hfq n GLU 45 Cb 0.56 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 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 -0.87 0.98 0.15 3.49 0.28 -1.18 -3.74 120.64 119.74 2hfq n GLU 46 Ca 0.17 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.29 2hfq n GLU 46 Cb 0.70 -1.34 0.47 0.00 1.43 0.00 0.00 31.44 32.70 2hfq n GLU 46 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2hfq h GLY 47 N 4.61 0.00 -3.37 -1.84 0.00 -1.92 -3.44 103.07 97.13 2hfq h GLY 47 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 2hfq h GLY 47 CO 0.00 0.00 0.24 0.00 0.00 0.00 0.00 176.54 176.78 2hfq s ALA 48 N -3.29 3.31 -0.99 3.60 0.00 -1.25 -4.98 121.76 118.16 2hfq s ALA 48 Ca 0.06 0.37 -0.23 0.00 0.00 0.00 0.00 51.96 52.15 2hfq s ALA 48 Cb 0.10 -3.02 0.03 0.00 0.00 0.00 0.00 23.12 20.23 2hfq s ALA 48 CO 0.49 0.25 1.57 0.99 0.00 0.00 0.00 175.76 179.05 2hfq s THR 49 N -1.54 3.81 -0.69 0.00 2.01 -1.26 -4.91 115.64 113.06 2hfq s THR 49 Ca 0.46 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.53 2hfq s THR 49 Cb -0.18 -4.81 -0.03 0.00 0.01 0.00 0.00 72.50 67.49 2hfq s THR 49 CO 0.23 -1.71 1.86 -0.69 -0.69 0.00 0.00 174.62 173.63 2hfq s VAL 50 N 6.19 3.39 0.41 3.82 1.01 -1.26 -4.69 120.40 129.27 2hfq s VAL 50 Ca 0.52 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.60 2hfq s VAL 50 Cb -0.02 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2hfq s VAL 50 CO -0.08 -0.95 0.16 0.28 0.00 0.00 0.00 175.10 174.51 2hfq s THR 51 N 9.20 0.47 0.59 3.92 -1.32 -1.26 -4.96 115.64 122.28 2hfq s THR 51 Ca 0.67 -2.00 0.29 0.00 -1.21 0.00 0.00 61.69 59.44 2hfq s THR 51 Cb -0.11 -2.32 0.40 0.00 -1.51 0.00 0.00 72.50 68.95 2hfq s THR 51 CO 0.15 0.00 1.72 0.28 -2.21 0.00 0.00 174.62 174.56 2hfq h SER 52 N 1.79 0.00 0.52 8.08 0.02 -1.91 0.24 113.55 122.29 2hfq h SER 52 Ca -0.33 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.35 2hfq h SER 52 Cb 1.27 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.82 2hfq h SER 52 CO 0.52 0.00 -1.18 -0.08 -1.14 0.00 0.00 176.83 174.96 2hfq h GLU 53 N 0.00 0.33 0.00 3.45 4.81 -1.95 -3.34 114.58 117.89 2hfq h GLU 53 Ca 0.32 -0.49 -0.28 0.00 -0.13 0.00 0.00 59.36 58.78 2hfq h GLU 53 Cb 1.76 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 31.27 2hfq h GLU 53 CO -0.00 1.21 -1.85 0.39 -0.73 0.00 0.00 179.01 178.02 2hfq n GLU 54 N -3.61 0.65 -3.61 1.92 1.02 0.44 -4.53 120.64 112.92 2hfq n GLU 54 Ca -0.09 0.17 -0.40 0.00 -0.02 0.00 0.00 57.16 56.83 2hfq n GLU 54 Cb 0.98 -1.71 -0.08 0.00 -0.02 0.00 0.00 31.44 30.61 2hfq n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hfq s ARG 56 N 0.54 4.19 -0.07 0.00 0.52 0.11 -4.39 118.95 119.86 2hfq s ARG 56 Ca 0.13 0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 55.37 2hfq s ARG 56 Cb -0.21 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.69 2hfq s ARG 56 CO -0.04 -0.09 1.26 0.12 0.02 0.00 0.00 175.30 176.58 2hfq s PHE 57 N 1.44 3.02 -0.08 -0.53 5.36 -1.26 -0.28 117.98 125.65 2hfq s PHE 57 Ca 0.22 1.07 -0.04 0.00 -0.96 0.00 0.00 56.93 57.22 2hfq s PHE 57 Cb -0.15 -3.50 -0.01 0.00 -0.34 0.00 0.00 43.02 39.02 2hfq s PHE 57 CO 0.09 -1.68 -0.08 0.00 -1.46 0.00 0.00 175.22 172.08 2hfq n HIS 59 N -3.70 -0.43 -4.72 0.00 1.44 -1.25 -5.03 115.22 101.53 2hfq n HIS 59 Ca -0.03 -0.59 -0.33 0.00 -2.01 0.00 0.00 57.72 54.76 2hfq n HIS 59 Cb 0.12 0.27 -0.16 0.00 0.12 0.00 0.00 29.99 30.34 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 -3.08 3.18 0.38 4.39 0.01 -1.26 -1.21 113.70 116.10 2hfq s SER 60 Ca 0.22 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.94 2hfq s SER 60 Cb -0.01 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 64.74 2hfq s SER 60 CO 0.00 0.09 0.15 -1.83 0.41 0.00 0.00 173.24 172.06 2hfq s GLU 61 N 0.75 1.86 0.45 12.44 -1.05 -1.02 -4.90 118.70 127.22 2hfq s GLU 61 Ca -0.08 -2.11 -0.24 0.00 -0.15 0.00 0.00 54.97 52.38 2hfq s GLU 61 Cb -0.16 -0.42 -0.08 0.00 -0.44 0.00 0.00 34.13 33.04 2hfq s GLU 61 CO -0.00 -0.49 1.25 -1.59 0.95 0.00 0.00 175.26 175.38 2hfq s LYS 62 N -3.69 3.76 -0.19 -4.83 -2.85 -1.26 -0.21 119.74 110.47 2hfq s LYS 62 Ca 0.28 2.02 -0.16 0.00 -1.00 0.00 0.00 55.97 57.10 2hfq s LYS 62 Cb 0.03 -2.55 -0.04 0.00 -2.06 0.00 0.00 37.83 33.21 2hfq s LYS 62 CO 0.17 -0.62 0.40 0.00 0.10 0.00 0.00 175.35 175.40 2hfq s ALA 63 N -1.37 3.55 0.18 0.59 0.00 0.17 -4.68 121.76 120.20 2hfq s ALA 63 Ca 0.62 -0.47 -0.32 0.00 0.00 0.00 0.00 51.96 51.79 2hfq s ALA 63 Cb -0.35 -2.61 -0.11 0.00 0.00 0.00 0.00 23.12 20.05 2hfq s ALA 63 CO 0.43 -0.22 1.68 -2.14 0.00 0.00 0.00 175.76 175.52 2hfq s PRO 64 N 1.12 4.15 0.53 0.00 0.02 -1.26 -4.76 135.00 134.80 2hfq s PRO 64 Ca 0.20 2.52 0.24 0.00 0.02 0.00 0.00 61.00 63.98 2hfq s PRO 64 Cb -0.15 -3.16 1.37 0.00 0.02 0.00 0.00 34.50 32.58 2hfq s PRO 64 CO 0.08 -0.72 2.02 0.22 -0.33 0.00 0.00 177.00 178.27 2hfq h ASP 65 N 7.01 0.01 0.07 2.53 3.58 -2.00 0.15 116.42 127.77 2hfq h ASP 65 Ca -0.43 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.02 2hfq h ASP 65 Cb 1.20 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 2hfq h ASP 65 CO 0.94 0.01 -0.01 -0.08 -2.88 0.00 0.00 179.24 177.22 2hfq h GLU 66 N 0.01 0.00 0.00 0.28 4.81 -2.05 -2.28 114.58 115.35 2hfq h GLU 66 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2hfq h GLU 66 Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2hfq h GLU 66 CO -0.00 0.01 -1.07 1.33 -0.73 0.00 0.00 179.01 178.54 2hfq n VAL 67 N -3.38 0.00 0.07 0.32 0.24 0.50 -4.63 118.33 111.46 2hfq n VAL 67 Ca -0.03 -0.16 -0.15 0.00 -2.04 0.00 0.00 64.34 61.95 2hfq n VAL 67 Cb 0.10 0.78 -0.07 0.00 -1.47 0.00 0.00 33.84 33.17 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 1.39 -0.63 1.34 2.04 -1.31 -2.64 117.51 117.69 2hfq h ILE 68 Ca 0.00 -2.51 -0.08 0.00 1.00 0.00 0.00 64.86 63.27 2hfq h ILE 68 Cb 0.51 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 2hfq h ILE 68 CO 0.00 0.75 0.07 -0.08 0.00 0.00 0.00 178.15 178.89 2hfq h GLU 69 N 0.23 1.06 -0.51 2.37 4.81 -1.82 0.28 114.58 120.99 2hfq h GLU 69 Ca -0.11 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 58.84 2hfq h GLU 69 Cb 1.68 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.92 2hfq h GLU 69 CO 0.18 0.99 0.33 0.00 -0.73 0.00 0.00 179.01 179.78 2hfq h ALA 70 N 1.08 0.65 -0.23 2.92 0.00 -1.83 -0.56 119.26 121.30 2hfq h ALA 70 Ca 0.19 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2hfq h ALA 70 Cb 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2hfq h ALA 70 CO 0.02 0.07 -0.25 0.82 0.00 0.00 0.00 179.25 179.91 2hfq h ILE 71 N 0.67 1.26 -0.43 0.00 2.04 -1.08 0.68 117.51 120.64 2hfq h ILE 71 Ca 0.19 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 2hfq h ILE 71 Cb -0.05 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2hfq h ILE 71 CO -0.06 0.39 -0.07 0.50 0.00 0.00 0.00 178.15 178.91 2hfq h LYS 72 N 0.38 0.75 0.10 2.37 3.64 0.20 0.37 116.57 124.38 2hfq h LYS 72 Ca 0.06 -0.23 -0.24 0.00 -1.27 0.00 0.00 60.65 58.97 2hfq h LYS 72 Cb 0.64 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2hfq h LYS 72 CO 0.05 0.81 -1.23 1.96 -2.27 0.00 0.00 179.45 178.77 2hfq h GLN 73 N 0.69 0.22 0.01 1.90 4.20 -0.87 -3.40 115.11 117.86 2hfq h GLN 73 Ca 0.13 -0.37 -0.34 0.00 0.06 0.00 0.00 58.65 58.13 2hfq h GLN 73 Cb 0.53 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 2hfq h GLN 73 CO 0.03 1.18 -2.06 0.09 -0.67 0.00 0.00 178.83 177.39 2hfq n ASN 74 N -4.03 0.74 0.00 1.46 3.02 0.21 -4.97 115.26 111.68 2hfq n ASN 74 Ca -0.23 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2hfq n ASN 74 Cb 0.85 0.25 0.00 0.00 -0.61 0.00 0.00 39.78 40.27 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 1.73 0.41 3.39 7.41 0.00 0.13 -5.03 105.19 113.23 2hfq n GLY 75 Ca -0.27 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.15 -0.43 -0.24 1.61 1.13 -1.25 -4.27 117.35 111.76 2hfq s TYR 76 Ca 0.00 0.64 0.01 0.00 -1.41 0.00 0.00 57.07 56.31 2hfq s TYR 76 Cb 0.00 0.28 0.06 0.00 -1.10 0.00 0.00 41.96 41.20 2hfq s TYR 76 CO 0.00 -0.55 -0.07 0.12 -2.51 0.00 0.00 175.55 172.54 2hfq s PHE 77 N -1.63 2.58 -0.71 -3.49 5.36 0.84 -4.22 117.98 116.72 2hfq s PHE 77 Ca -0.10 -1.86 -0.25 0.00 -0.96 0.00 0.00 56.93 53.76 2hfq s PHE 77 Cb -0.02 -1.66 0.05 0.00 -0.34 0.00 0.00 43.02 41.05 2hfq s PHE 77 CO 0.05 -0.79 1.14 0.42 -1.46 0.00 0.00 175.22 174.57 2hfq s ILE 78 N 1.33 4.01 -0.44 3.12 -1.09 -1.26 -0.67 121.20 126.20 2hfq s ILE 78 Ca -0.06 0.02 -0.25 0.00 -2.23 0.00 0.00 60.65 58.13 2hfq s ILE 78 Cb -0.19 -4.81 0.02 0.00 -1.58 0.00 0.00 42.46 35.90 2hfq s ILE 78 CO -0.06 -1.67 0.89 -0.47 -1.23 0.00 0.00 174.94 172.40 2hfq s TYR 79 N 4.93 2.96 -0.89 3.97 5.04 0.07 -4.97 117.35 128.46 2hfq s TYR 79 Ca 0.29 0.39 -0.25 0.00 -2.44 0.00 0.00 57.07 55.07 2hfq s TYR 79 Cb -0.12 -3.85 0.02 0.00 0.35 0.00 0.00 41.96 38.36 2hfq s TYR 79 CO 0.12 -1.03 1.55 0.15 -1.34 0.00 0.00 175.55 175.00 2hfq s LYS 80 N 3.61 3.19 0.06 4.97 1.02 -1.26 -1.46 119.74 129.87 2hfq s LYS 80 Ca 0.36 -0.57 -0.27 0.00 0.02 0.00 0.00 55.97 55.50 2hfq s LYS 80 Cb -0.11 -4.92 -0.13 0.00 -0.52 0.00 0.00 37.83 32.15 2hfq s LYS 80 CO 0.24 -2.48 1.42 1.98 -0.92 0.00 0.00 175.35 175.59 2hfq h MET 81 N 10.68 -0.75 0.00 1.68 1.85 -1.71 -3.42 114.93 123.26 2hfq h MET 81 Ca 0.02 0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.16 2hfq h MET 81 Cb 1.03 0.17 0.00 0.00 0.43 0.00 0.00 31.60 33.23 2hfq h MET 81 CO 1.33 -0.50 0.00 -1.91 -0.40 0.00 0.00 176.91 175.43 2hfq n GLU 82 N -4.75 0.00 0.14 0.39 2.13 -0.62 -4.95 120.64 112.99 2hfq n GLU 82 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 2hfq n GLU 82 Cb 0.36 0.00 0.29 0.00 0.27 0.00 0.00 31.44 32.36 2hfq n GLU 82 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2hfq h GLY 83 N 0.00 0.10 -7.22 8.31 0.00 -1.38 -3.38 103.07 99.50 2hfq h GLY 83 Ca 0.00 -0.09 -0.74 0.00 0.00 0.00 0.00 47.33 46.50 2hfq h GLY 83 CO 0.00 0.08 -0.31 0.00 0.00 0.00 0.00 176.54 176.31