#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 0.90 -0.13 2.12 -2.07 -1.26 -4.67 119.66 114.55 2hfq s GLN 2 Ca 0.00 -1.05 -0.03 0.00 -1.82 0.00 0.00 55.36 52.46 2hfq s GLN 2 Cb 0.00 -0.90 -0.03 0.00 -1.09 0.00 0.00 33.01 30.99 2hfq s GLN 2 CO 0.00 0.19 -0.03 0.96 -1.32 0.00 0.00 175.29 175.09 2hfq s ILE 3 N -1.50 3.96 -0.44 3.63 -4.36 -0.69 -4.49 121.20 117.31 2hfq s ILE 3 Ca 0.02 -0.35 -0.18 0.00 -0.26 0.00 0.00 60.65 59.88 2hfq s ILE 3 Cb -0.09 -2.71 0.03 0.00 1.25 0.00 0.00 42.46 40.94 2hfq s ILE 3 CO 0.03 0.52 0.51 -1.00 0.24 0.00 0.00 174.94 175.24 2hfq s HIS 4 N 0.03 3.13 -0.48 1.37 3.76 0.49 -2.10 115.29 121.50 2hfq s HIS 4 Ca 0.01 -0.35 -0.24 0.00 -0.15 0.00 0.00 55.06 54.32 2hfq s HIS 4 Cb -0.13 -3.12 0.03 0.00 1.11 0.00 0.00 32.58 30.47 2hfq s HIS 4 CO 0.03 -0.80 0.89 0.08 -0.85 0.00 0.00 174.74 174.08 2hfq s VAL 5 N 2.36 4.50 -0.53 -0.90 1.01 0.42 -2.50 120.40 124.77 2hfq s VAL 5 Ca 0.15 0.51 -0.14 0.00 0.00 0.00 0.00 61.98 62.50 2hfq s VAL 5 Cb -0.17 -4.43 0.13 0.00 0.00 0.00 0.00 36.38 31.91 2hfq s VAL 5 CO 0.14 -0.88 0.46 -0.31 0.00 0.00 0.00 175.10 174.52 2hfq s TYR 6 N 3.66 3.30 -0.45 5.22 1.51 -0.79 -0.77 117.35 129.03 2hfq s TYR 6 Ca 0.33 -1.45 -0.28 0.00 -1.01 0.00 0.00 57.07 54.66 2hfq s TYR 6 Cb -0.11 -3.72 -0.00 0.00 -0.11 0.00 0.00 41.96 38.01 2hfq s TYR 6 CO 0.23 -1.01 1.60 0.34 -1.11 0.00 0.00 175.55 175.60 2hfq s ASP 7 N 3.34 5.98 -0.49 2.29 -1.08 -0.72 -1.97 116.67 124.02 2hfq s ASP 7 Ca 0.04 0.77 -0.17 0.00 -0.52 0.00 0.00 52.55 52.67 2hfq s ASP 7 Cb -0.29 -2.54 0.07 0.00 -1.46 0.00 0.00 42.92 38.71 2hfq s ASP 7 CO 0.02 -1.74 0.50 -0.89 0.52 0.00 0.00 175.17 173.58 2hfq s THR 8 N 6.62 5.08 -0.65 1.71 2.01 -0.79 -1.54 115.64 128.07 2hfq s THR 8 Ca 0.66 -0.87 -0.26 0.00 0.31 0.00 0.00 61.69 61.53 2hfq s THR 8 Cb -0.15 -4.22 0.04 0.00 0.01 0.00 0.00 72.50 68.18 2hfq s THR 8 CO 0.29 -0.70 1.12 -0.31 -0.69 0.00 0.00 174.62 174.33 2hfq s TYR 9 N 2.05 2.54 -0.30 4.92 2.02 -0.01 -2.52 117.35 126.05 2hfq s TYR 9 Ca 0.08 -0.08 -0.06 0.00 -0.37 0.00 0.00 57.07 56.64 2hfq s TYR 9 Cb -0.23 -4.42 0.02 0.00 -0.40 0.00 0.00 41.96 36.94 2hfq s TYR 9 CO 0.08 -1.74 0.07 0.08 -1.57 0.00 0.00 175.55 172.47 2hfq s VAL 10 N 4.82 3.76 -0.77 0.71 1.01 -0.42 -4.76 120.40 124.75 2hfq s VAL 10 Ca 0.32 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 2hfq s VAL 10 Cb -0.11 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 2hfq s VAL 10 CO 0.17 0.01 1.66 -0.54 0.00 0.00 0.00 175.10 176.40 2hfq s LYS 11 N 1.44 2.91 0.71 2.72 1.02 -1.26 -0.14 119.74 127.14 2hfq s LYS 11 Ca 0.01 -0.07 -0.16 0.00 0.02 0.00 0.00 55.97 55.77 2hfq s LYS 11 Cb -0.18 -4.62 0.03 0.00 -0.52 0.00 0.00 37.83 32.54 2hfq s LYS 11 CO 0.02 -2.64 1.26 0.00 -0.92 0.00 0.00 175.35 173.07 2hfq s ALA 12 N 7.79 2.16 0.28 5.17 0.00 0.19 -4.71 121.76 132.65 2hfq s ALA 12 Ca 0.56 1.09 0.24 0.00 0.00 0.00 0.00 51.96 53.84 2hfq s ALA 12 Cb -0.08 -3.54 1.10 0.00 0.00 0.00 0.00 23.12 20.61 2hfq s ALA 12 CO 0.10 -1.88 1.92 -0.22 0.00 0.00 0.00 175.76 175.68 2hfq h LYS 13 N -0.02 0.00 0.00 0.00 1.63 -1.87 -0.28 116.57 116.03 2hfq h LYS 13 Ca -0.49 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.27 2hfq h LYS 13 Cb 1.32 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 2hfq h LYS 13 CO 0.50 0.21 -0.17 0.22 -3.45 0.00 0.00 179.45 176.76 2hfq h ASP 14 N 0.00 0.00 0.00 4.20 3.58 -2.01 -3.46 116.42 118.73 2hfq h ASP 14 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hfq h ASP 14 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2hfq h ASP 14 CO 0.03 0.17 0.00 0.61 -2.88 0.00 0.00 179.24 177.17 2hfq n GLY 15 N -0.86 0.95 3.03 -0.78 0.00 -0.12 -5.14 105.19 102.27 2hfq n GLY 15 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.77 0.61 -1.12 1.61 5.04 -1.24 -4.97 115.29 113.46 2hfq s HIS 16 Ca 0.00 -0.36 -0.21 0.00 -1.54 0.00 0.00 55.06 52.94 2hfq s HIS 16 Cb 0.00 -0.37 0.03 0.00 0.04 0.00 0.00 32.58 32.28 2hfq s HIS 16 CO 0.00 -0.06 1.65 0.08 -2.34 0.00 0.00 174.74 174.08 2hfq s VAL 17 N -0.96 3.90 -0.94 0.89 1.01 -1.26 -0.64 120.40 122.40 2hfq s VAL 17 Ca -0.06 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.59 2hfq s VAL 17 Cb -0.07 -4.94 0.10 0.00 0.00 0.00 0.00 36.38 31.47 2hfq s VAL 17 CO 0.00 -1.76 1.22 -0.32 0.00 0.00 0.00 175.10 174.24 2hfq s MET 18 N 5.11 3.57 -0.08 2.72 0.00 0.80 -4.70 119.30 126.71 2hfq s MET 18 Ca 0.54 -1.50 0.02 0.00 0.00 0.00 0.00 55.69 54.75 2hfq s MET 18 Cb 0.01 -5.01 -0.02 0.00 0.00 0.00 0.00 34.83 29.81 2hfq s MET 18 CO -0.01 -1.91 -0.14 -3.38 0.00 0.00 0.00 175.02 169.58 2hfq s HIS 19 N 3.49 2.74 0.27 4.11 -3.43 -0.61 -1.31 115.29 120.56 2hfq s HIS 19 Ca 0.36 -0.39 0.02 0.00 -0.80 0.00 0.00 55.06 54.26 2hfq s HIS 19 Cb -0.04 -1.72 -0.05 0.00 -1.43 0.00 0.00 32.58 29.34 2hfq s HIS 19 CO -0.08 0.00 0.07 -0.59 -2.00 0.00 0.00 174.74 172.14 2hfq s PHE 20 N -0.25 1.63 -0.38 0.38 -0.12 -1.05 -2.19 117.98 116.01 2hfq s PHE 20 Ca 0.01 -1.09 -0.17 0.00 -0.05 0.00 0.00 56.93 55.63 2hfq s PHE 20 Cb -0.13 -0.99 0.00 0.00 -0.63 0.00 0.00 43.02 41.28 2hfq s PHE 20 CO 0.03 -0.21 0.45 -0.51 -0.05 0.00 0.00 175.22 174.93 2hfq s ASP 21 N -3.35 6.23 -0.65 1.98 1.01 0.27 -1.89 116.67 120.27 2hfq s ASP 21 Ca 0.36 -0.35 -0.21 0.00 0.71 0.00 0.00 52.55 53.05 2hfq s ASP 21 Cb 0.08 -2.23 0.09 0.00 1.01 0.00 0.00 42.92 41.86 2hfq s ASP 21 CO 0.13 -0.49 0.88 -0.69 0.21 0.00 0.00 175.17 175.20 2hfq s VAL 22 N 2.21 4.53 -0.49 -1.27 1.01 -0.83 -1.96 120.40 123.59 2hfq s VAL 22 Ca 0.14 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 2hfq s VAL 22 Cb -0.16 -4.62 0.03 0.00 0.00 0.00 0.00 36.38 31.63 2hfq s VAL 22 CO 0.13 -1.34 0.89 -0.36 0.00 0.00 0.00 175.10 174.43 2hfq s PHE 23 N 3.49 2.89 -0.02 5.22 0.08 0.15 -1.89 117.98 127.90 2hfq s PHE 23 Ca 0.19 0.17 0.04 0.00 0.12 0.00 0.00 56.93 57.45 2hfq s PHE 23 Cb -0.19 -3.93 -0.01 0.00 -0.57 0.00 0.00 43.02 38.32 2hfq s PHE 23 CO 0.08 -1.17 -0.15 0.95 -0.10 0.00 0.00 175.22 174.83 2hfq s THR 24 N 3.69 1.25 -0.95 0.64 -4.23 -1.04 -0.92 115.64 114.08 2hfq s THR 24 Ca 0.32 -0.65 0.20 0.00 -1.18 0.00 0.00 61.69 60.38 2hfq s THR 24 Cb -0.12 -1.06 -0.22 0.00 1.34 0.00 0.00 72.50 72.44 2hfq s THR 24 CO 0.23 0.36 0.86 -0.90 -0.54 0.00 0.00 174.62 174.62 2hfq n ASP 25 N 2.89 0.95 0.24 3.99 5.75 -1.26 -0.38 116.55 128.74 2hfq n ASP 25 Ca -0.16 -0.97 0.12 0.00 -0.01 0.00 0.00 54.79 53.77 2hfq n ASP 25 Cb 0.54 1.01 0.74 0.00 -1.03 0.00 0.00 41.12 42.38 2hfq n ASP 25 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2hfq h VAL 26 N 0.00 0.79 -0.86 2.12 3.04 -1.92 -3.46 116.25 115.97 2hfq h VAL 26 Ca 0.00 0.00 -0.23 0.00 -1.01 0.00 0.00 66.70 65.46 2hfq h VAL 26 Cb 0.49 0.96 -0.07 0.00 -2.01 0.00 0.00 31.29 30.65 2hfq h VAL 26 CO 0.00 0.00 -0.24 -1.14 -1.01 0.00 0.00 177.57 175.18 2hfq n ARG 27 N -4.26 -0.83 -4.08 4.17 0.63 -1.26 -4.99 116.66 106.04 2hfq n ARG 27 Ca -0.01 0.81 -0.34 0.00 -0.92 0.00 0.00 57.85 57.38 2hfq n ARG 27 Cb 0.16 -4.84 -0.15 0.00 0.45 0.00 0.00 32.46 28.09 2hfq n ARG 27 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2hfq s ASP 28 N -2.77 3.81 0.09 6.15 -1.08 -1.26 -5.01 116.67 116.61 2hfq s ASP 28 Ca 0.00 -0.49 -0.20 0.00 -0.52 0.00 0.00 52.55 51.34 2hfq s ASP 28 Cb 0.00 -1.63 -0.09 0.00 -1.46 0.00 0.00 42.92 39.74 2hfq s ASP 28 CO 0.00 0.01 1.62 -0.78 0.52 0.00 0.00 175.17 176.53 2hfq h ASP 29 N 7.91 0.27 -0.43 -0.34 3.58 -2.00 -1.26 116.42 124.15 2hfq h ASP 29 Ca -0.42 -0.18 -0.10 0.00 0.42 0.00 0.00 57.03 56.75 2hfq h ASP 29 Cb 1.16 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.12 2hfq h ASP 29 CO 0.61 0.37 -0.11 0.50 -2.88 0.00 0.00 179.24 177.73 2hfq h LYS 30 N 0.15 0.90 -0.55 0.28 3.64 -1.99 -2.44 116.57 116.55 2hfq h LYS 30 Ca 0.06 -0.32 -0.10 0.00 -1.27 0.00 0.00 60.65 59.03 2hfq h LYS 30 Cb 0.19 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2hfq h LYS 30 CO -0.00 0.96 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.88 2hfq h LYS 31 N 0.80 0.99 -0.40 1.90 1.63 -1.95 0.20 116.57 119.75 2hfq h LYS 31 Ca 0.13 -0.34 -0.00 0.00 -0.85 0.00 0.00 60.65 59.59 2hfq h LYS 31 Cb 0.64 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 2hfq h LYS 31 CO 0.04 1.01 0.24 0.00 -3.45 0.00 0.00 179.45 177.30 2hfq h ALA 32 N 0.94 0.51 -0.50 5.00 0.00 -1.08 -0.49 119.26 123.65 2hfq h ALA 32 Ca 0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2hfq h ALA 32 Cb 0.59 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2hfq h ALA 32 CO 0.04 0.00 -0.06 0.82 0.00 0.00 0.00 179.25 180.05 2hfq h ILE 33 N 0.53 1.26 -0.84 0.00 2.04 -1.25 -1.63 117.51 117.62 2hfq h ILE 33 Ca 0.14 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.89 2hfq h ILE 33 Cb -0.00 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 2hfq h ILE 33 CO -0.03 0.40 0.55 -0.08 0.00 0.00 0.00 178.15 178.99 2hfq h GLU 34 N 0.80 1.05 -0.34 2.37 4.81 -0.10 0.78 114.58 123.94 2hfq h GLU 34 Ca 0.14 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 2hfq h GLU 34 Cb 0.56 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2hfq h GLU 34 CO 0.03 0.70 -0.30 0.74 -0.73 0.00 0.00 179.01 179.45 2hfq h PHE 35 N 1.08 0.85 -0.61 0.92 0.04 -0.85 -2.53 116.94 115.85 2hfq h PHE 35 Ca 0.32 -0.22 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 2hfq h PHE 35 Cb -0.05 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 2hfq h PHE 35 CO -0.02 0.95 0.26 0.00 -0.60 0.00 0.00 178.31 178.90 2hfq h ALA 36 N 1.04 0.79 -0.02 2.45 0.00 -0.46 -1.80 119.26 121.26 2hfq h ALA 36 Ca 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2hfq h ALA 36 Cb 0.82 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2hfq h ALA 36 CO 0.07 0.40 0.01 0.87 0.00 0.00 0.00 179.25 180.60 2hfq h LYS 37 N 0.85 0.02 0.00 0.00 1.57 -0.75 -1.20 116.57 117.05 2hfq h LYS 37 Ca 0.21 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2hfq h LYS 37 Cb 0.18 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2hfq h LYS 37 CO -0.02 0.07 -0.04 -0.56 -0.57 0.00 0.00 179.45 178.33 2hfq h GLN 38 N -0.04 0.00 0.13 3.15 3.07 -1.36 -1.05 115.11 119.01 2hfq h GLN 38 Ca 0.01 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.44 2hfq h GLN 38 Cb 0.06 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.65 2hfq h GLN 38 CO -0.00 0.04 -1.26 2.35 0.09 0.00 0.00 178.83 180.05 2hfq h TRP 39 N 0.00 1.02 -0.37 0.06 7.01 -0.96 -2.43 115.95 120.28 2hfq h TRP 39 Ca -0.00 -0.65 -0.08 0.00 2.11 0.00 0.00 58.89 60.27 2hfq h TRP 39 Cb 0.46 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 2hfq h TRP 39 CO 0.00 1.49 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.98 2hfq h LEU 40 N 0.28 0.71 -1.30 0.65 3.38 -0.55 -1.82 115.31 116.65 2hfq h LEU 40 Ca -0.19 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 2hfq h LEU 40 Cb 1.93 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 2hfq h LEU 40 CO 0.24 0.90 -0.16 0.77 0.09 0.00 0.00 178.44 180.29 2hfq h SER 41 N 0.50 0.00 0.08 -0.43 4.64 -1.33 0.12 113.55 117.14 2hfq h SER 41 Ca 0.09 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.24 2hfq h SER 41 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2hfq h SER 41 CO 0.04 0.16 -0.64 -1.28 -0.87 0.00 0.00 176.83 174.23 2hfq h SER 42 N 0.00 0.62 0.77 4.97 0.87 -0.98 -3.24 113.55 116.56 2hfq h SER 42 Ca -0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2hfq h SER 42 Cb 0.64 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2hfq h SER 42 CO 0.02 1.11 -1.18 2.30 -0.53 0.00 0.00 176.83 178.54 2hfq n ILE 43 N -3.91 0.47 0.00 2.23 -5.35 -0.73 -4.97 119.36 107.09 2hfq n ILE 43 Ca -0.04 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 2hfq n ILE 43 Cb 0.66 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 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 1.21 0.63 2.54 3.28 0.00 0.30 -5.00 105.19 108.16 2hfq n GLY 44 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.31 4.57 -1.26 1.61 -0.58 -0.41 -4.71 120.64 118.55 2hfq n GLU 45 Ca 0.00 -3.58 -0.26 0.00 -0.42 0.00 0.00 57.16 52.89 2hfq n GLU 45 Cb 0.00 -2.65 0.02 0.00 -0.57 0.00 0.00 31.44 28.25 2hfq n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2hfq n GLU 46 N 1.79 2.27 -1.23 3.49 2.13 -1.25 -4.48 120.64 123.36 2hfq n GLU 46 Ca 0.58 -2.37 -0.22 0.00 0.66 0.00 0.00 57.16 55.81 2hfq n GLU 46 Cb 0.26 -1.98 0.14 0.00 0.27 0.00 0.00 31.44 30.13 2hfq n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hfq n GLY 47 N 0.11 5.14 3.35 8.31 0.00 -1.26 -4.91 105.19 115.93 2hfq n GLY 47 Ca 0.45 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.46 -1.23 -0.75 4.61 0.00 -1.26 -4.80 121.76 114.87 2hfq s ALA 48 Ca 0.56 1.71 -0.26 0.00 0.00 0.00 0.00 51.96 53.97 2hfq s ALA 48 Cb 0.46 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 22.57 2hfq s ALA 48 CO 0.04 -0.31 1.26 0.99 0.00 0.00 0.00 175.76 177.74 2hfq s THR 49 N 1.51 3.78 -0.57 0.00 2.01 -1.26 -4.97 115.64 116.15 2hfq s THR 49 Ca -0.09 0.29 -0.27 0.00 0.31 0.00 0.00 61.69 61.93 2hfq s THR 49 Cb -0.08 -4.91 0.03 0.00 0.01 0.00 0.00 72.50 67.56 2hfq s THR 49 CO -0.14 -1.83 1.10 -0.69 -0.69 0.00 0.00 174.62 172.37 2hfq s VAL 50 N 5.55 4.16 0.28 3.82 1.01 -1.26 -4.83 120.40 129.14 2hfq s VAL 50 Ca 0.34 0.68 0.01 0.00 0.00 0.00 0.00 61.98 63.01 2hfq s VAL 50 Cb -0.08 -4.66 0.01 0.00 0.00 0.00 0.00 36.38 31.65 2hfq s VAL 50 CO 0.13 -1.25 0.08 0.35 0.00 0.00 0.00 175.10 174.41 2hfq n THR 51 N 6.50 0.00 0.44 3.92 -2.24 -1.26 -4.94 114.28 116.70 2hfq n THR 51 Ca 0.06 -1.25 0.07 0.00 -2.27 0.00 0.00 64.05 60.66 2hfq n THR 51 Cb 0.48 0.07 0.31 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.45 0.09 0.08 3.42 7.64 -1.26 -0.34 113.62 121.80 2hfq n SER 52 Ca -0.08 0.52 -0.09 0.00 1.01 0.00 0.00 58.87 60.24 2hfq n SER 52 Cb 0.34 -0.54 -0.08 0.00 -1.01 0.00 0.00 64.21 62.92 2hfq n SER 52 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2hfq h GLU 53 N 0.00 0.10 0.02 1.43 3.07 -1.95 -3.36 114.58 113.89 2hfq h GLU 53 Ca 0.00 -0.14 -0.22 0.00 -0.50 0.00 0.00 59.36 58.50 2hfq h GLU 53 Cb 0.24 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 2hfq h GLU 53 CO 0.00 1.01 -1.17 0.93 -1.40 0.00 0.00 179.01 178.37 2hfq h GLU 54 N 0.04 0.04 -4.61 2.33 4.39 -1.49 -3.42 114.58 111.86 2hfq h GLU 54 Ca -0.04 -0.07 -0.71 0.00 0.34 0.00 0.00 59.36 58.87 2hfq h GLU 54 Cb 1.70 0.03 -0.20 0.00 -0.10 0.00 0.00 28.75 30.18 2hfq h GLU 54 CO 0.14 1.04 0.20 0.00 -1.16 0.00 0.00 179.01 179.22 2hfq s ARG 56 N 2.34 3.44 0.05 0.00 0.52 -0.59 -4.40 118.95 120.31 2hfq s ARG 56 Ca 0.15 -0.61 -0.31 0.00 -0.52 0.00 0.00 55.73 54.43 2hfq s ARG 56 Cb -0.20 -3.30 -0.10 0.00 0.52 0.00 0.00 34.95 31.86 2hfq s ARG 56 CO 0.02 -0.27 1.89 0.34 0.02 0.00 0.00 175.30 177.30 2hfq n PHE 57 N 4.89 2.50 -0.10 -0.53 7.35 -1.26 -1.75 117.46 128.56 2hfq n PHE 57 Ca -0.16 -0.20 -0.15 0.00 -0.76 0.00 0.00 57.45 56.19 2hfq n PHE 57 Cb 0.50 -2.74 -0.05 0.00 0.35 0.00 0.00 39.48 37.54 2hfq n PHE 57 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2hfq s HIS 59 N -2.74 -0.22 -0.08 0.00 -3.43 -1.23 -5.03 115.29 102.57 2hfq s HIS 59 Ca -0.31 -0.08 0.04 0.00 -0.80 0.00 0.00 55.06 53.91 2hfq s HIS 59 Cb 0.07 0.63 0.00 0.00 -1.43 0.00 0.00 32.58 31.85 2hfq s HIS 59 CO 0.44 -0.89 -0.20 -1.12 -2.00 0.00 0.00 174.74 170.97 2hfq s SER 60 N -2.84 2.59 0.00 7.38 0.01 -1.26 -0.43 113.70 119.15 2hfq s SER 60 Ca 0.10 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2hfq s SER 60 Cb -0.02 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.14 2hfq s SER 60 CO 0.00 0.13 0.00 -1.84 0.41 0.00 0.00 173.24 171.94 2hfq n GLU 61 N 3.48 0.00 -2.20 12.44 0.28 -0.89 -4.93 120.64 128.82 2hfq n GLU 61 Ca -0.20 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.46 2hfq n GLU 61 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 2hfq n GLU 61 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2hfq s LYS 62 N -1.43 3.35 0.03 3.44 -0.14 -1.26 -1.70 119.74 122.04 2hfq s LYS 62 Ca 0.00 1.44 0.04 0.00 -1.36 0.00 0.00 55.97 56.09 2hfq s LYS 62 Cb 0.00 -2.02 -0.02 0.00 -1.68 0.00 0.00 37.83 34.11 2hfq s LYS 62 CO 0.00 -0.82 -0.13 0.00 -0.76 0.00 0.00 175.35 173.64 2hfq s ALA 63 N -2.05 1.08 0.68 5.17 0.00 -1.26 -4.82 121.76 120.56 2hfq s ALA 63 Ca 0.69 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 2hfq s ALA 63 Cb -0.20 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.77 2hfq s ALA 63 CO 0.30 0.20 1.17 -1.25 0.00 0.00 0.00 175.76 176.18 2hfq s PRO 64 N -1.08 2.50 0.30 0.00 0.04 -1.26 -4.85 135.00 130.64 2hfq s PRO 64 Ca 0.01 1.65 0.05 0.00 0.04 0.00 0.00 61.00 62.75 2hfq s PRO 64 Cb -0.08 -1.89 0.74 0.00 0.04 0.00 0.00 34.50 33.31 2hfq s PRO 64 CO 0.01 -1.54 1.74 -0.44 0.04 0.00 0.00 177.00 176.82 2hfq h ASP 65 N 0.02 0.60 0.27 6.66 5.19 -2.01 -2.55 116.42 124.60 2hfq h ASP 65 Ca -0.48 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 2hfq h ASP 65 Cb 1.28 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 2hfq h ASP 65 CO 0.52 0.15 -0.27 -0.08 -3.12 0.00 0.00 179.24 176.44 2hfq h GLU 66 N 0.60 -0.56 0.00 3.56 4.81 -2.02 -2.64 114.58 118.33 2hfq h GLU 66 Ca 0.57 0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.78 2hfq h GLU 66 Cb 0.98 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2hfq h GLU 66 CO -0.44 -0.37 -0.28 -0.39 -0.73 0.00 0.00 179.01 176.80 2hfq h VAL 67 N -0.58 0.80 0.20 0.32 -1.51 -1.84 -2.97 116.25 110.67 2hfq h VAL 67 Ca -0.01 -1.15 0.01 0.00 -1.23 0.00 0.00 66.70 64.32 2hfq h VAL 67 Cb 0.53 1.71 -0.04 0.00 -2.13 0.00 0.00 31.29 31.36 2hfq h VAL 67 CO -0.06 0.28 -0.41 0.40 -1.23 0.00 0.00 177.57 176.54 2hfq h ILE 68 N 0.00 0.17 -0.36 7.19 1.08 -1.14 0.24 117.51 124.68 2hfq h ILE 68 Ca -0.00 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.35 2hfq h ILE 68 Cb 0.69 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 2hfq h ILE 68 CO 0.04 0.00 -0.25 -0.08 -0.69 0.00 0.00 178.15 177.16 2hfq h GLU 69 N -0.70 0.74 -0.08 2.37 4.81 -1.50 -2.69 114.58 117.52 2hfq h GLU 69 Ca 0.01 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2hfq h GLU 69 Cb 0.69 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 2hfq h GLU 69 CO -0.19 0.91 0.02 0.00 -0.73 0.00 0.00 179.01 179.02 2hfq h ALA 70 N 1.08 0.11 -0.57 2.92 0.00 -1.31 -2.56 119.26 118.93 2hfq h ALA 70 Ca 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2hfq h ALA 70 Cb 0.76 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2hfq h ALA 70 CO 0.06 -0.25 0.11 0.82 0.00 0.00 0.00 179.25 179.99 2hfq h ILE 71 N -0.09 1.24 0.00 0.00 2.04 -0.51 0.67 117.51 120.86 2hfq h ILE 71 Ca 0.03 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.99 2hfq h ILE 71 Cb 0.27 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2hfq h ILE 71 CO 0.00 0.33 0.00 0.11 0.00 0.00 0.00 178.15 178.59 2hfq h LYS 72 N 0.85 0.00 0.00 2.37 1.57 -1.41 0.23 116.57 120.19 2hfq h LYS 72 Ca 0.18 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.50 2hfq h LYS 72 Cb 0.35 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.59 2hfq h LYS 72 CO 0.00 0.00 -2.53 0.94 -0.57 0.00 0.00 179.45 177.30 2hfq n GLN 73 N -2.75 0.59 0.10 3.15 0.00 -0.65 -4.61 117.38 113.21 2hfq n GLN 73 Ca 0.01 0.26 -0.01 0.00 -0.00 0.00 0.00 57.00 57.26 2hfq n GLN 73 Cb 0.28 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 28.98 2hfq n GLN 73 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2hfq h ASN 74 N -0.94 0.00 0.00 1.69 -0.26 0.28 -3.47 115.58 112.88 2hfq h ASN 74 Ca -0.69 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.05 2hfq h ASN 74 Cb 1.63 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.89 2hfq h ASN 74 CO -0.40 0.69 0.00 0.61 -1.06 0.00 0.00 177.43 177.27 2hfq n GLY 75 N 1.29 3.34 3.50 2.83 0.00 0.82 -4.99 105.19 111.99 2hfq n GLY 75 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.79 -0.49 -0.09 1.61 1.13 -1.24 -4.48 117.35 111.00 2hfq s TYR 76 Ca 0.00 0.61 0.02 0.00 -1.41 0.00 0.00 57.07 56.29 2hfq s TYR 76 Cb 0.00 0.49 0.02 0.00 -1.10 0.00 0.00 41.96 41.36 2hfq s TYR 76 CO 0.00 -0.59 -0.12 0.12 -2.51 0.00 0.00 175.55 172.44 2hfq s PHE 77 N -2.25 1.63 -0.32 -3.49 5.36 -0.10 -4.65 117.98 114.16 2hfq s PHE 77 Ca -0.02 -0.69 -0.08 0.00 -0.96 0.00 0.00 56.93 55.17 2hfq s PHE 77 Cb -0.01 -1.21 0.01 0.00 -0.34 0.00 0.00 43.02 41.48 2hfq s PHE 77 CO -0.02 -0.38 0.12 0.42 -1.46 0.00 0.00 175.22 173.90 2hfq s ILE 78 N 0.94 4.19 -0.21 3.12 -1.09 -1.26 -0.68 121.20 126.21 2hfq s ILE 78 Ca -0.09 -0.72 -0.05 0.00 -2.23 0.00 0.00 60.65 57.56 2hfq s ILE 78 Cb -0.15 -3.22 -0.02 0.00 -1.58 0.00 0.00 42.46 37.49 2hfq s ILE 78 CO 0.00 -0.02 -0.01 -0.47 -1.23 0.00 0.00 174.94 173.21 2hfq s TYR 79 N 1.52 3.00 -0.50 3.97 5.04 -0.83 -4.98 117.35 124.57 2hfq s TYR 79 Ca 0.02 -0.65 -0.28 0.00 -2.44 0.00 0.00 57.07 53.72 2hfq s TYR 79 Cb -0.18 -2.10 0.01 0.00 0.35 0.00 0.00 41.96 40.04 2hfq s TYR 79 CO 0.04 -0.38 1.44 0.15 -1.34 0.00 0.00 175.55 175.46 2hfq s LYS 80 N 1.25 3.38 0.00 4.97 1.02 -1.26 -0.57 119.74 128.53 2hfq s LYS 80 Ca 0.03 0.67 0.00 0.00 0.02 0.00 0.00 55.97 56.70 2hfq s LYS 80 Cb -0.15 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.07 2hfq s LYS 80 CO 0.00 -1.82 0.19 -0.12 -0.92 0.00 0.00 175.35 172.69 2hfq n MET 81 N 8.44 0.00 -3.94 1.68 0.00 -1.21 -4.69 117.12 117.40 2hfq n MET 81 Ca 0.15 0.26 -0.32 0.00 -0.00 0.00 0.00 57.70 57.78 2hfq n MET 81 Cb 0.49 -0.89 -0.14 0.00 0.00 0.00 0.00 33.22 32.69 2hfq n MET 81 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2hfq s GLU 82 N -0.90 1.77 -0.33 2.12 8.01 -0.93 -4.91 118.70 123.53 2hfq s GLU 82 Ca 0.00 -2.10 0.04 0.00 0.01 0.00 0.00 54.97 52.92 2hfq s GLU 82 Cb 0.00 -3.34 0.23 0.00 -4.31 0.00 0.00 34.13 26.71 2hfq s GLU 82 CO 0.00 -1.02 1.26 0.41 0.01 0.00 0.00 175.26 175.92 2hfq n GLY 83 N 3.98 -0.96 0.69 -1.39 0.00 -1.26 -1.57 105.19 104.68 2hfq n GLY 83 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32