#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 2.27 0.09 2.12 -0.21 -1.26 -3.86 119.66 118.82 2hfq s GLN 2 Ca 0.00 -0.89 0.06 0.00 0.02 0.00 0.00 55.36 54.55 2hfq s GLN 2 Cb 0.00 -2.33 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 2hfq s GLN 2 CO 0.00 0.56 -0.04 0.96 -2.12 0.00 0.00 175.29 174.65 2hfq s ILE 3 N -1.00 3.77 -0.23 1.08 -4.36 0.45 -4.86 121.20 116.05 2hfq s ILE 3 Ca 0.17 -1.08 -0.20 0.00 -0.26 0.00 0.00 60.65 59.27 2hfq s ILE 3 Cb -0.11 -2.78 -0.02 0.00 1.25 0.00 0.00 42.46 40.80 2hfq s ILE 3 CO 0.08 0.13 0.62 -1.00 0.24 0.00 0.00 174.94 175.01 2hfq s HIS 4 N -1.26 3.33 -0.45 1.37 3.76 0.99 -2.01 115.29 121.01 2hfq s HIS 4 Ca 0.24 0.86 -0.17 0.00 -0.15 0.00 0.00 55.06 55.84 2hfq s HIS 4 Cb -0.11 -2.81 0.04 0.00 1.11 0.00 0.00 32.58 30.80 2hfq s HIS 4 CO 0.16 -0.25 0.47 0.08 -0.85 0.00 0.00 174.74 174.36 2hfq s VAL 5 N 2.20 5.07 -0.40 -0.90 1.01 -0.05 -0.66 120.40 126.66 2hfq s VAL 5 Ca 0.27 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 2hfq s VAL 5 Cb -0.16 -4.12 0.08 0.00 0.00 0.00 0.00 36.38 32.19 2hfq s VAL 5 CO 0.09 -0.55 0.21 -0.31 0.00 0.00 0.00 175.10 174.54 2hfq s TYR 6 N 2.16 3.39 -0.44 5.22 2.02 -0.72 -0.36 117.35 128.62 2hfq s TYR 6 Ca 0.11 -1.82 -0.28 0.00 -0.37 0.00 0.00 57.07 54.71 2hfq s TYR 6 Cb -0.19 -2.90 -0.01 0.00 -0.40 0.00 0.00 41.96 38.46 2hfq s TYR 6 CO 0.12 -0.88 1.64 0.34 -1.57 0.00 0.00 175.55 175.20 2hfq s ASP 7 N 1.92 5.95 -0.24 2.29 2.15 0.65 -0.41 116.67 128.97 2hfq s ASP 7 Ca 0.03 0.83 -0.07 0.00 0.43 0.00 0.00 52.55 53.77 2hfq s ASP 7 Cb -0.22 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.83 2hfq s ASP 7 CO -0.00 -1.75 0.06 -0.89 -0.17 0.00 0.00 175.17 172.42 2hfq s THR 8 N 6.72 4.23 -0.62 1.71 2.01 -0.08 -0.16 115.64 129.45 2hfq s THR 8 Ca 0.68 -0.20 -0.23 0.00 0.31 0.00 0.00 61.69 62.24 2hfq s THR 8 Cb -0.16 -2.97 0.06 0.00 0.01 0.00 0.00 72.50 69.43 2hfq s THR 8 CO 0.30 0.36 0.98 -0.31 -0.69 0.00 0.00 174.62 175.25 2hfq s TYR 9 N 1.52 2.69 -0.36 4.92 1.51 0.33 -3.11 117.35 124.85 2hfq s TYR 9 Ca 0.06 -0.31 -0.08 0.00 -1.01 0.00 0.00 57.07 55.73 2hfq s TYR 9 Cb -0.15 -4.23 0.04 0.00 -0.11 0.00 0.00 41.96 37.52 2hfq s TYR 9 CO 0.03 -1.57 0.15 0.08 -1.11 0.00 0.00 175.55 173.14 2hfq s VAL 10 N 4.14 4.04 -0.58 0.71 1.01 -0.72 -4.77 120.40 124.23 2hfq s VAL 10 Ca 0.26 -1.11 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 2hfq s VAL 10 Cb -0.15 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 32.96 2hfq s VAL 10 CO 0.14 -0.25 1.05 -0.54 0.00 0.00 0.00 175.10 175.50 2hfq s LYS 11 N 1.44 3.36 0.42 2.72 1.02 -1.26 0.06 119.74 127.50 2hfq s LYS 11 Ca 0.00 -0.13 -0.23 0.00 0.02 0.00 0.00 55.97 55.62 2hfq s LYS 11 Cb -0.20 -4.06 -0.09 0.00 -0.52 0.00 0.00 37.83 32.96 2hfq s LYS 11 CO 0.04 -1.63 1.07 0.00 -0.92 0.00 0.00 175.35 173.91 2hfq s ALA 12 N 4.43 3.04 0.28 5.17 0.00 -1.17 -4.85 121.76 128.66 2hfq s ALA 12 Ca 0.34 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 53.03 2hfq s ALA 12 Cb -0.11 -3.30 0.38 0.00 0.00 0.00 0.00 23.12 20.10 2hfq s ALA 12 CO 0.20 -0.32 1.85 -0.22 0.00 0.00 0.00 175.76 177.27 2hfq h LYS 13 N 2.30 0.92 0.00 0.00 3.64 -1.95 -3.31 116.57 118.16 2hfq h LYS 13 Ca -0.49 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 58.67 2hfq h LYS 13 Cb 1.22 -0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.78 2hfq h LYS 13 CO 0.61 0.76 -0.45 -3.47 -2.27 0.00 0.00 179.45 174.64 2hfq n ASP 14 N -4.30 0.04 -0.54 4.20 2.03 -1.26 -4.91 116.55 111.80 2hfq n ASP 14 Ca 0.05 -1.74 0.06 0.00 0.52 0.00 0.00 54.79 53.69 2hfq n ASP 14 Cb 0.18 -0.08 0.20 0.00 -0.72 0.00 0.00 41.12 40.71 2hfq n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2hfq n GLY 15 N 0.11 5.03 0.55 0.27 0.00 -1.25 -5.08 105.19 104.83 2hfq n GLY 15 Ca -0.04 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.13 -1.52 -2.26 1.61 -0.00 -1.26 -4.76 115.22 105.90 2hfq n HIS 16 Ca 0.18 0.82 -0.43 0.00 0.46 0.00 0.00 57.72 58.75 2hfq n HIS 16 Cb 0.69 -1.67 -0.02 0.00 -0.12 0.00 0.00 29.99 28.87 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 -3.94 3.79 -0.31 3.57 1.01 -1.26 -3.07 120.40 120.19 2hfq s VAL 17 Ca 0.00 0.81 -0.29 0.00 0.00 0.00 0.00 61.98 62.50 2hfq s VAL 17 Cb 0.00 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2hfq s VAL 17 CO 0.00 -0.66 1.08 -0.04 0.00 0.00 0.00 175.10 175.49 2hfq s MET 18 N 5.10 4.07 -0.30 2.72 -1.94 0.11 -4.88 119.30 124.17 2hfq s MET 18 Ca 0.66 1.10 -0.10 0.00 -1.71 0.00 0.00 55.69 55.64 2hfq s MET 18 Cb -0.16 -3.74 -0.02 0.00 2.01 0.00 0.00 34.83 32.92 2hfq s MET 18 CO 0.33 -0.89 0.17 -1.01 -0.01 0.00 0.00 175.02 173.61 2hfq s HIS 19 N 3.65 3.19 0.00 -0.03 3.76 -1.26 -1.76 115.29 122.84 2hfq s HIS 19 Ca 0.46 -0.34 -0.08 0.00 -0.15 0.00 0.00 55.06 54.95 2hfq s HIS 19 Cb -0.13 -2.37 0.00 0.00 1.11 0.00 0.00 32.58 31.19 2hfq s HIS 19 CO 0.15 -0.37 0.15 -0.59 -0.85 0.00 0.00 174.74 173.23 2hfq s PHE 20 N 1.67 0.03 -0.37 1.40 -0.71 -1.18 -0.35 117.98 118.46 2hfq s PHE 20 Ca 0.06 -0.11 -0.17 0.00 -1.04 0.00 0.00 56.93 55.67 2hfq s PHE 20 Cb -0.17 -0.04 0.00 0.00 -1.21 0.00 0.00 43.02 41.60 2hfq s PHE 20 CO 0.08 -0.29 0.43 -0.51 -1.34 0.00 0.00 175.22 173.59 2hfq s ASP 21 N -1.37 6.22 -0.63 1.98 1.01 0.49 -0.90 116.67 123.46 2hfq s ASP 21 Ca -0.15 -0.33 -0.25 0.00 0.71 0.00 0.00 52.55 52.53 2hfq s ASP 21 Cb -0.07 -2.23 0.04 0.00 1.01 0.00 0.00 42.92 41.67 2hfq s ASP 21 CO 0.02 -0.46 1.09 -0.69 0.21 0.00 0.00 175.17 175.34 2hfq s VAL 22 N 2.17 4.11 -0.53 -1.27 1.01 0.45 -2.45 120.40 123.88 2hfq s VAL 22 Ca 0.14 0.31 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 2hfq s VAL 22 Cb -0.16 -4.72 0.03 0.00 0.00 0.00 0.00 36.38 31.53 2hfq s VAL 22 CO 0.13 -1.44 1.02 -0.36 0.00 0.00 0.00 175.10 174.45 2hfq s PHE 23 N 4.68 2.78 0.06 5.22 0.08 -0.10 -1.76 117.98 128.94 2hfq s PHE 23 Ca 0.33 0.27 0.08 0.00 0.12 0.00 0.00 56.93 57.73 2hfq s PHE 23 Cb -0.11 -4.20 -0.03 0.00 -0.57 0.00 0.00 43.02 38.11 2hfq s PHE 23 CO 0.17 -1.34 -0.23 0.99 -0.10 0.00 0.00 175.22 174.71 2hfq s THR 24 N 4.22 1.88 -0.00 0.64 2.01 0.16 0.32 115.64 124.87 2hfq s THR 24 Ca 0.37 -1.34 -0.18 0.00 0.31 0.00 0.00 61.69 60.85 2hfq s THR 24 Cb -0.10 -1.63 -0.33 0.00 0.01 0.00 0.00 72.50 70.44 2hfq s THR 24 CO 0.24 0.23 0.97 -0.78 -0.69 0.00 0.00 174.62 174.59 2hfq h ASP 25 N 4.69 0.69 -3.96 3.53 3.58 -1.42 0.28 116.42 123.82 2hfq h ASP 25 Ca -0.45 -0.92 -0.53 0.00 0.42 0.00 0.00 57.03 55.55 2hfq h ASP 25 Cb 1.16 -0.22 0.09 0.00 1.72 0.00 0.00 39.33 42.07 2hfq h ASP 25 CO 0.43 1.56 0.63 -0.69 -2.88 0.00 0.00 179.24 178.29 2hfq s VAL 26 N -2.58 2.52 -0.34 2.25 1.01 -1.26 -4.81 120.40 117.18 2hfq s VAL 26 Ca -0.11 0.46 0.10 0.00 0.00 0.00 0.00 61.98 62.43 2hfq s VAL 26 Cb 0.03 -3.27 0.70 0.00 0.00 0.00 0.00 36.38 33.84 2hfq s VAL 26 CO 0.90 0.06 1.70 0.54 0.00 0.00 0.00 175.10 178.30 2hfq n ARG 27 N 0.03 3.78 -3.78 2.72 1.74 -1.26 -4.87 116.66 115.04 2hfq n ARG 27 Ca 0.04 -2.82 -0.36 0.00 -0.77 0.00 0.00 57.85 53.94 2hfq n ARG 27 Cb 0.43 -2.16 -0.12 0.00 -1.02 0.00 0.00 32.46 29.60 2hfq n ARG 27 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2hfq s ASP 28 N -0.82 5.39 0.25 0.55 1.11 -1.26 -4.97 116.67 116.91 2hfq s ASP 28 Ca 0.50 -0.12 -0.06 0.00 0.18 0.00 0.00 52.55 53.06 2hfq s ASP 28 Cb 0.40 -1.97 0.26 0.00 1.07 0.00 0.00 42.92 42.68 2hfq s ASP 28 CO 0.13 0.00 1.89 -2.24 1.18 0.00 0.00 175.17 176.13 2hfq h ASP 29 N 7.98 1.10 -0.85 0.27 2.03 -2.00 -0.71 116.42 124.25 2hfq h ASP 29 Ca -0.37 -0.07 0.03 0.00 -0.73 0.00 0.00 57.03 55.88 2hfq h ASP 29 Cb 1.18 -0.28 -0.05 0.00 -0.83 0.00 0.00 39.33 39.35 2hfq h ASP 29 CO 0.59 0.85 0.56 0.50 -1.03 0.00 0.00 179.24 180.72 2hfq h LYS 30 N 1.26 1.05 -0.06 4.15 3.64 -1.99 -1.51 116.57 123.11 2hfq h LYS 30 Ca 0.32 -0.06 -0.25 0.00 -1.27 0.00 0.00 60.65 59.39 2hfq h LYS 30 Cb -0.03 -0.24 0.02 0.00 -0.41 0.00 0.00 32.23 31.56 2hfq h LYS 30 CO -0.06 0.69 -0.94 -0.22 -2.27 0.00 0.00 179.45 176.66 2hfq h LYS 31 N 1.08 0.71 -0.13 1.90 1.63 -1.67 0.18 116.57 120.26 2hfq h LYS 31 Ca 0.33 -0.69 -0.00 0.00 -0.85 0.00 0.00 60.65 59.44 2hfq h LYS 31 Cb -0.02 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 2hfq h LYS 31 CO -0.09 1.28 0.08 0.00 -3.45 0.00 0.00 179.45 177.26 2hfq h ALA 32 N 0.50 0.17 -0.67 5.00 0.00 -0.95 0.18 119.26 123.49 2hfq h ALA 32 Ca -0.10 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2hfq h ALA 32 Cb 1.58 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 2hfq h ALA 32 CO 0.18 -0.30 0.44 0.82 0.00 0.00 0.00 179.25 180.39 2hfq h ILE 33 N 0.13 1.15 -0.39 0.00 2.04 -1.25 -2.13 117.51 117.07 2hfq h ILE 33 Ca 0.05 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2hfq h ILE 33 Cb 0.05 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2hfq h ILE 33 CO -0.01 0.16 0.25 -0.08 0.00 0.00 0.00 178.15 178.47 2hfq h GLU 34 N 0.88 0.51 -0.84 2.37 4.81 -0.16 0.48 114.58 122.64 2hfq h GLU 34 Ca 0.25 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2hfq h GLU 34 Cb -0.08 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 2hfq h GLU 34 CO -0.07 0.36 0.50 0.74 -0.73 0.00 0.00 179.01 179.81 2hfq h PHE 35 N 0.52 1.11 -0.48 0.92 0.04 -0.47 0.20 116.94 118.78 2hfq h PHE 35 Ca 0.14 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 2hfq h PHE 35 Cb -0.04 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 37.73 2hfq h PHE 35 CO -0.04 0.75 0.17 0.00 -0.60 0.00 0.00 178.31 178.58 2hfq h ALA 36 N 1.27 0.63 -0.15 2.45 0.00 -0.85 -1.70 119.26 120.92 2hfq h ALA 36 Ca 0.30 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2hfq h ALA 36 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2hfq h ALA 36 CO -0.05 0.27 -0.50 0.87 0.00 0.00 0.00 179.25 179.83 2hfq h LYS 37 N 0.64 0.39 -0.70 0.00 1.57 -0.48 0.11 116.57 118.10 2hfq h LYS 37 Ca 0.16 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2hfq h LYS 37 Cb 0.24 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2hfq h LYS 37 CO -0.01 0.81 0.39 1.96 -0.57 0.00 0.00 179.45 182.03 2hfq h GLN 38 N 0.31 0.97 -0.28 3.15 4.20 -0.43 0.43 115.11 123.46 2hfq h GLN 38 Ca 0.01 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 2hfq h GLN 38 Cb 1.00 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 2hfq h GLN 38 CO 0.09 0.71 -0.18 2.35 -0.67 0.00 0.00 178.83 181.13 2hfq h TRP 39 N 0.98 0.71 -0.97 2.96 7.01 -0.83 -2.53 115.95 123.28 2hfq h TRP 39 Ca 0.25 -0.19 0.02 0.00 2.11 0.00 0.00 58.89 61.08 2hfq h TRP 39 Cb 0.01 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 26.86 2hfq h TRP 39 CO 0.01 0.87 0.64 -0.07 -2.79 0.00 0.00 178.44 177.09 2hfq h LEU 40 N 0.34 1.08 -1.20 0.65 3.38 -0.15 -1.28 115.31 118.12 2hfq h LEU 40 Ca 0.06 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2hfq h LEU 40 Cb 0.71 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2hfq h LEU 40 CO 0.05 0.76 0.21 0.28 0.09 0.00 0.00 178.44 179.84 2hfq h SER 41 N 1.27 0.70 -0.22 -0.43 0.02 0.53 0.41 113.55 115.83 2hfq h SER 41 Ca 0.37 -0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 61.06 2hfq h SER 41 Cb -0.08 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 2hfq h SER 41 CO -0.10 0.63 -0.54 -1.28 -1.14 0.00 0.00 176.83 174.41 2hfq h SER 42 N 0.76 0.89 0.79 3.07 0.87 -0.85 -2.84 113.55 116.25 2hfq h SER 42 Ca 0.18 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2hfq h SER 42 Cb 0.15 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2hfq h SER 42 CO -0.02 1.25 -0.04 2.30 -0.53 0.00 0.00 176.83 179.80 2hfq n ILE 43 N -4.00 0.00 0.00 2.23 -5.35 -0.58 -4.90 119.36 106.76 2hfq n ILE 43 Ca -0.04 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 2hfq n ILE 43 Cb 0.62 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 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 1.42 1.03 0.04 3.28 0.00 -0.53 -4.95 105.19 105.46 2hfq n GLY 44 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.93 0.09 0.00 1.61 -0.58 0.13 -4.99 120.64 114.98 2hfq n GLU 45 Ca 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2hfq n GLU 45 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 2hfq n GLU 45 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2hfq n GLU 46 N -1.39 0.00 -3.23 3.49 1.02 -0.79 -3.98 120.64 115.76 2hfq n GLU 46 Ca 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.16 2hfq n GLU 46 Cb 0.34 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.73 2hfq n GLU 46 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2hfq s GLY 47 N 0.00 -0.95 0.84 0.62 0.00 -1.26 -1.92 107.32 104.64 2hfq s GLY 47 Ca 0.00 0.34 -0.14 0.00 0.00 0.00 0.00 44.72 44.92 2hfq s GLY 47 CO 0.00 3.41 0.82 0.00 0.00 0.00 0.00 173.10 177.33 2hfq n ALA 48 N 4.94 -2.13 -1.85 3.20 0.00 -1.26 -4.87 120.51 118.55 2hfq n ALA 48 Ca 0.07 -1.18 -0.31 0.00 0.00 0.00 0.00 53.44 52.02 2hfq n ALA 48 Cb 0.53 -0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.56 3.24 -0.35 0.00 2.01 -1.26 -4.88 115.64 111.83 2hfq s THR 49 Ca 0.51 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.50 2hfq s THR 49 Cb -0.04 -3.59 0.11 0.00 0.01 0.00 0.00 72.50 68.99 2hfq s THR 49 CO 0.39 -0.56 0.14 -0.69 -0.69 0.00 0.00 174.62 173.20 2hfq s VAL 50 N 11.01 1.20 0.00 3.82 1.01 -1.26 -4.75 120.40 131.43 2hfq s VAL 50 Ca 0.79 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.90 2hfq s VAL 50 Cb -0.12 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.38 2hfq s VAL 50 CO 0.15 -0.74 0.00 0.35 0.00 0.00 0.00 175.10 174.86 2hfq n THR 51 N 4.36 0.00 0.20 3.92 -2.24 -1.26 -4.98 114.28 114.29 2hfq n THR 51 Ca 0.02 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.97 2hfq n THR 51 Cb 0.40 0.00 0.83 0.00 -2.10 0.00 0.00 70.33 69.46 2hfq n THR 51 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2hfq h SER 52 N 0.00 0.00 -0.01 3.42 0.87 -1.97 -1.86 113.55 114.00 2hfq h SER 52 Ca 0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.40 2hfq h SER 52 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2hfq h SER 52 CO 0.00 0.00 -0.62 -0.33 -0.53 0.00 0.00 176.83 175.35 2hfq h GLU 53 N 0.00 0.43 0.01 2.24 3.07 -1.99 -3.33 114.58 115.01 2hfq h GLU 53 Ca 0.09 -0.45 -0.21 0.00 -0.50 0.00 0.00 59.36 58.29 2hfq h GLU 53 Cb 0.52 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2hfq h GLU 53 CO -0.00 1.11 -0.92 0.93 -1.40 0.00 0.00 179.01 178.73 2hfq h GLU 54 N -0.06 0.24 -5.07 2.33 3.07 -1.68 -3.42 114.58 110.00 2hfq h GLU 54 Ca -0.07 -0.28 -0.66 0.00 -0.50 0.00 0.00 59.36 57.85 2hfq h GLU 54 Cb 1.32 0.08 -0.16 0.00 -0.84 0.00 0.00 28.75 29.15 2hfq h GLU 54 CO 0.12 1.00 -0.18 0.00 -1.40 0.00 0.00 179.01 178.56 2hfq s ARG 56 N 2.19 3.99 -0.53 0.00 0.52 0.77 -4.77 118.95 121.13 2hfq s ARG 56 Ca 0.15 -0.32 -0.29 0.00 -0.52 0.00 0.00 55.73 54.75 2hfq s ARG 56 Cb -0.16 -3.39 0.03 0.00 0.52 0.00 0.00 34.95 31.94 2hfq s ARG 56 CO 0.13 0.11 1.21 0.12 0.02 0.00 0.00 175.30 176.89 2hfq s PHE 57 N 0.86 2.64 -0.05 -0.53 5.36 -1.26 -0.25 117.98 124.74 2hfq s PHE 57 Ca 0.06 0.56 -0.12 0.00 -0.96 0.00 0.00 56.93 56.47 2hfq s PHE 57 Cb -0.13 -4.46 -0.06 0.00 -0.34 0.00 0.00 43.02 38.02 2hfq s PHE 57 CO 0.03 -1.54 0.48 0.00 -1.46 0.00 0.00 175.22 172.73 2hfq n HIS 59 N -5.05 0.00 -4.16 0.00 1.44 -1.23 -5.03 115.22 101.20 2hfq n HIS 59 Ca -0.05 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.34 2hfq n HIS 59 Cb 0.16 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.11 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 -0.66 2.89 0.25 4.39 0.01 -1.26 -0.87 113.70 118.46 2hfq s SER 60 Ca 0.00 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2hfq s SER 60 Cb 0.00 -1.32 -0.05 0.00 0.21 0.00 0.00 66.02 64.86 2hfq s SER 60 CO 0.00 -0.01 0.11 -1.83 0.41 0.00 0.00 173.24 171.92 2hfq s GLU 61 N 1.30 1.40 0.04 12.44 -1.05 -0.85 -4.86 118.70 127.12 2hfq s GLU 61 Ca 0.03 -1.76 -0.31 0.00 -0.15 0.00 0.00 54.97 52.78 2hfq s GLU 61 Cb -0.13 -0.14 -0.06 0.00 -0.44 0.00 0.00 34.13 33.36 2hfq s GLU 61 CO -0.10 -0.34 1.27 0.21 0.95 0.00 0.00 175.26 177.25 2hfq s LYS 62 N -4.02 4.37 0.13 -4.83 2.20 -1.26 -0.41 119.74 115.92 2hfq s LYS 62 Ca 0.38 1.84 -0.00 0.00 -0.36 0.00 0.00 55.97 57.83 2hfq s LYS 62 Cb 0.07 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 2hfq s LYS 62 CO 0.14 -0.37 0.30 0.00 -0.36 0.00 0.00 175.35 175.06 2hfq s ALA 63 N 1.47 3.92 0.44 3.13 0.00 -1.25 -4.93 121.76 124.55 2hfq s ALA 63 Ca 0.60 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 51.48 2hfq s ALA 63 Cb -0.30 -1.91 -0.09 0.00 0.00 0.00 0.00 23.12 20.82 2hfq s ALA 63 CO 0.28 0.64 1.43 -2.30 0.00 0.00 0.00 175.76 175.80 2hfq n PRO 64 N -0.18 2.27 0.05 0.00 -0.02 -1.26 -4.88 135.00 130.97 2hfq n PRO 64 Ca -0.05 0.81 0.19 0.00 -2.02 0.00 0.00 63.50 62.42 2hfq n PRO 64 Cb 0.52 -2.62 0.70 0.00 -0.02 0.00 0.00 33.50 32.08 2hfq n PRO 64 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2hfq h ASP 65 N 2.33 0.00 -0.17 2.55 3.58 -2.00 -1.96 116.42 120.75 2hfq h ASP 65 Ca -0.51 0.00 0.01 0.00 0.42 0.00 0.00 57.03 56.95 2hfq h ASP 65 Cb 1.27 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 2hfq h ASP 65 CO 0.61 0.00 0.09 -0.33 -2.88 0.00 0.00 179.24 176.73 2hfq h GLU 66 N 0.00 0.19 0.00 0.28 4.39 -2.03 -2.46 114.58 114.94 2hfq h GLU 66 Ca 0.21 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2hfq h GLU 66 Cb 0.86 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2hfq h GLU 66 CO -0.00 0.12 0.00 1.33 -1.16 0.00 0.00 179.01 179.30 2hfq n VAL 67 N -5.00 0.48 0.05 3.13 0.24 -0.75 -3.02 118.33 113.45 2hfq n VAL 67 Ca -0.04 -0.17 0.03 0.00 -2.04 0.00 0.00 64.34 62.13 2hfq n VAL 67 Cb 0.05 -0.62 0.40 0.00 -1.47 0.00 0.00 33.84 32.20 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 1.14 -0.42 1.34 1.08 -1.28 -0.72 117.51 118.65 2hfq h ILE 68 Ca 0.00 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 64.00 2hfq h ILE 68 Cb 0.64 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.19 2hfq h ILE 68 CO 0.00 0.17 0.25 -0.33 -0.69 0.00 0.00 178.15 177.55 2hfq h GLU 69 N 0.42 0.58 -0.57 2.37 4.39 -1.58 0.14 114.58 120.33 2hfq h GLU 69 Ca 0.10 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 2hfq h GLU 69 Cb 0.14 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2hfq h GLU 69 CO -0.01 0.43 -0.03 0.00 -1.16 0.00 0.00 179.01 178.25 2hfq h ALA 70 N 1.11 0.88 -0.35 3.43 0.00 -1.51 0.13 119.26 122.97 2hfq h ALA 70 Ca 0.15 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2hfq h ALA 70 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2hfq h ALA 70 CO -0.03 0.65 -0.20 0.82 0.00 0.00 0.00 179.25 180.50 2hfq h ILE 71 N 0.91 1.26 0.01 0.00 1.08 -0.88 0.23 117.51 120.13 2hfq h ILE 71 Ca 0.16 -1.25 -0.19 0.00 -0.39 0.00 0.00 64.86 63.19 2hfq h ILE 71 Cb 0.56 1.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 2hfq h ILE 71 CO 0.03 0.41 -0.88 0.50 -0.69 0.00 0.00 178.15 177.53 2hfq h LYS 72 N 0.59 0.06 0.00 2.37 3.64 -0.46 -2.21 116.57 120.56 2hfq h LYS 72 Ca 0.09 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2hfq h LYS 72 Cb 0.66 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2hfq h LYS 72 CO 0.05 0.89 -0.08 0.37 -2.27 0.00 0.00 179.45 178.41 2hfq h GLN 73 N 0.03 0.00 0.00 1.90 4.15 -0.47 -3.41 115.11 117.31 2hfq h GLN 73 Ca -0.02 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 2hfq h GLN 73 Cb 1.53 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.20 2hfq h GLN 73 CO 0.12 0.00 -1.57 0.09 -1.93 0.00 0.00 178.83 175.54 2hfq n ASN 74 N -3.36 0.60 0.00 -0.69 3.02 0.77 -4.97 115.26 110.62 2hfq n ASN 74 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 2hfq n ASN 74 Cb 0.04 0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 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 1.38 0.10 3.38 7.41 0.00 -0.83 -5.01 105.19 111.62 2hfq n GLY 75 Ca -0.10 0.00 -0.11 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 -2.00 -0.35 -0.05 1.61 1.13 -1.25 -1.08 117.35 115.35 2hfq s TYR 76 Ca 0.00 0.08 -0.01 0.00 -1.41 0.00 0.00 57.07 55.74 2hfq s TYR 76 Cb 0.00 0.41 0.03 0.00 -1.10 0.00 0.00 41.96 41.30 2hfq s TYR 76 CO 0.00 -0.79 0.01 0.12 -2.51 0.00 0.00 175.55 172.39 2hfq s PHE 77 N -3.78 0.39 -0.46 -3.49 5.36 0.15 -4.41 117.98 111.73 2hfq s PHE 77 Ca 0.02 -0.00 -0.19 0.00 -0.96 0.00 0.00 56.93 55.80 2hfq s PHE 77 Cb 0.00 -0.58 0.04 0.00 -0.34 0.00 0.00 43.02 42.14 2hfq s PHE 77 CO -0.12 -0.22 0.58 0.42 -1.46 0.00 0.00 175.22 174.42 2hfq s ILE 78 N 1.66 4.91 -0.26 3.12 -1.09 -1.26 -0.92 121.20 127.36 2hfq s ILE 78 Ca -0.01 -0.27 -0.04 0.00 -2.23 0.00 0.00 60.65 58.10 2hfq s ILE 78 Cb -0.13 -4.20 0.01 0.00 -1.58 0.00 0.00 42.46 36.56 2hfq s ILE 78 CO -0.03 -0.64 0.01 -0.47 -1.23 0.00 0.00 174.94 172.57 2hfq s TYR 79 N 2.56 3.08 0.04 3.97 5.04 -1.03 -5.01 117.35 126.01 2hfq s TYR 79 Ca 0.17 -1.16 -0.30 0.00 -2.44 0.00 0.00 57.07 53.34 2hfq s TYR 79 Cb -0.17 -2.16 -0.04 0.00 0.35 0.00 0.00 41.96 39.94 2hfq s TYR 79 CO 0.15 -0.62 0.96 0.15 -1.34 0.00 0.00 175.55 174.85 2hfq s LYS 80 N 1.44 4.61 -0.09 4.97 1.02 -1.26 -0.38 119.74 130.04 2hfq s LYS 80 Ca 0.02 1.41 -0.18 0.00 0.02 0.00 0.00 55.97 57.24 2hfq s LYS 80 Cb -0.16 -3.43 -0.15 0.00 -0.52 0.00 0.00 37.83 33.57 2hfq s LYS 80 CO -0.01 0.06 0.62 1.98 -0.92 0.00 0.00 175.35 177.08 2hfq h MET 81 N 6.32 -0.09 -4.50 1.68 1.85 -1.05 -3.46 114.93 115.68 2hfq h MET 81 Ca -0.42 0.01 -0.21 0.00 -0.61 0.00 0.00 59.70 58.47 2hfq h MET 81 Cb 1.22 0.02 -0.15 0.00 0.43 0.00 0.00 31.60 33.12 2hfq h MET 81 CO 0.74 0.41 -0.64 -1.83 -0.40 0.00 0.00 176.91 175.19 2hfq s GLU 82 N -2.57 1.03 0.00 0.39 4.04 -1.22 -4.79 118.70 115.58 2hfq s GLU 82 Ca -0.11 -1.51 0.00 0.00 0.04 0.00 0.00 54.97 53.39 2hfq s GLU 82 Cb -0.01 0.22 0.00 0.00 0.02 0.00 0.00 34.13 34.36 2hfq s GLU 82 CO 0.42 -0.29 0.00 0.41 -1.84 0.00 0.00 175.26 173.96 2hfq n GLY 83 N -0.16 0.59 2.81 -3.83 0.00 -1.26 -4.46 105.19 98.89 2hfq n GLY 83 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32