#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 4.12 0.18 2.12 -0.21 -1.26 -0.20 119.66 124.42 2hfq s GLN 2 Ca 0.00 0.78 0.10 0.00 0.02 0.00 0.00 55.36 56.26 2hfq s GLN 2 Cb 0.00 -2.62 -0.04 0.00 1.00 0.00 0.00 33.01 31.35 2hfq s GLN 2 CO 0.00 0.25 -0.22 0.96 -2.12 0.00 0.00 175.29 174.16 2hfq s ILE 3 N -1.79 2.17 -0.45 1.08 -4.36 0.33 -4.85 121.20 113.33 2hfq s ILE 3 Ca 0.50 -1.99 -0.18 0.00 -0.26 0.00 0.00 60.65 58.72 2hfq s ILE 3 Cb -0.13 -2.02 0.04 0.00 1.25 0.00 0.00 42.46 41.59 2hfq s ILE 3 CO 0.19 -0.18 0.51 -1.00 0.24 0.00 0.00 174.94 174.70 2hfq s HIS 4 N -1.78 3.13 -0.40 1.37 3.76 0.11 -1.95 115.29 119.53 2hfq s HIS 4 Ca 0.19 -0.43 -0.22 0.00 -0.15 0.00 0.00 55.06 54.45 2hfq s HIS 4 Cb -0.07 -3.16 0.01 0.00 1.11 0.00 0.00 32.58 30.47 2hfq s HIS 4 CO 0.09 -0.83 0.71 0.08 -0.85 0.00 0.00 174.74 173.94 2hfq s VAL 5 N 2.32 4.78 -0.49 -0.90 1.01 -0.65 -1.68 120.40 124.79 2hfq s VAL 5 Ca 0.14 0.52 -0.13 0.00 0.00 0.00 0.00 61.98 62.51 2hfq s VAL 5 Cb -0.18 -4.20 0.11 0.00 0.00 0.00 0.00 36.38 32.12 2hfq s VAL 5 CO 0.13 -0.51 0.40 -0.31 0.00 0.00 0.00 175.10 174.82 2hfq s TYR 6 N 2.98 3.33 -0.46 5.22 1.51 -0.44 -1.34 117.35 128.14 2hfq s TYR 6 Ca 0.27 -1.49 -0.27 0.00 -1.01 0.00 0.00 57.07 54.56 2hfq s TYR 6 Cb -0.13 -3.52 -0.03 0.00 -0.11 0.00 0.00 41.96 38.17 2hfq s TYR 6 CO 0.18 -0.97 1.90 0.34 -1.11 0.00 0.00 175.55 175.90 2hfq s ASP 7 N 2.98 5.47 -0.22 2.29 -1.08 0.74 -2.03 116.67 124.81 2hfq s ASP 7 Ca 0.04 0.90 -0.09 0.00 -0.52 0.00 0.00 52.55 52.88 2hfq s ASP 7 Cb -0.27 -2.52 -0.04 0.00 -1.46 0.00 0.00 42.92 38.62 2hfq s ASP 7 CO 0.02 -2.12 0.11 -0.89 0.52 0.00 0.00 175.17 172.81 2hfq s THR 8 N 8.39 4.91 -0.90 1.71 2.01 -1.07 0.60 115.64 131.30 2hfq s THR 8 Ca 0.77 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.70 2hfq s THR 8 Cb -0.18 -3.27 0.23 0.00 0.01 0.00 0.00 72.50 69.29 2hfq s THR 8 CO 0.28 0.38 0.83 -0.31 -0.69 0.00 0.00 174.62 175.10 2hfq s TYR 9 N 0.99 3.90 -0.91 4.92 2.02 0.71 -3.38 117.35 125.60 2hfq s TYR 9 Ca 0.05 -2.51 -0.18 0.00 -0.37 0.00 0.00 57.07 54.07 2hfq s TYR 9 Cb -0.14 -3.63 0.15 0.00 -0.40 0.00 0.00 41.96 37.94 2hfq s TYR 9 CO 0.03 -0.91 1.05 0.08 -1.57 0.00 0.00 175.55 174.23 2hfq s VAL 10 N -0.60 4.95 -0.42 0.71 1.01 -0.99 -4.84 120.40 120.21 2hfq s VAL 10 Ca 0.24 -1.81 -0.27 0.00 0.00 0.00 0.00 61.98 60.14 2hfq s VAL 10 Cb -0.11 -4.71 0.02 0.00 0.00 0.00 0.00 36.38 31.58 2hfq s VAL 10 CO -0.08 -1.39 0.99 -0.75 0.00 0.00 0.00 175.10 173.86 2hfq s LYS 11 N 2.06 3.75 0.35 2.72 2.20 -1.26 0.15 119.74 129.71 2hfq s LYS 11 Ca 0.29 0.50 -0.28 0.00 -0.36 0.00 0.00 55.97 56.13 2hfq s LYS 11 Cb -0.06 -3.86 -0.10 0.00 -1.51 0.00 0.00 37.83 32.31 2hfq s LYS 11 CO -0.09 -1.12 1.29 0.00 -0.36 0.00 0.00 175.35 175.06 2hfq s ALA 12 N 3.80 3.42 0.21 3.13 0.00 -0.63 -4.93 121.76 126.76 2hfq s ALA 12 Ca 0.41 1.22 -0.03 0.00 0.00 0.00 0.00 51.96 53.56 2hfq s ALA 12 Cb -0.10 -3.47 0.19 0.00 0.00 0.00 0.00 23.12 19.74 2hfq s ALA 12 CO 0.24 -0.66 1.59 0.87 0.00 0.00 0.00 175.76 177.79 2hfq h LYS 13 N 3.19 0.62 -0.62 0.00 1.79 -1.95 -3.23 116.57 116.37 2hfq h LYS 13 Ca -0.49 -0.31 -0.35 0.00 -2.18 0.00 0.00 60.65 57.33 2hfq h LYS 13 Cb 1.23 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.47 2hfq h LYS 13 CO 0.65 0.90 -1.04 -3.47 -1.08 0.00 0.00 179.45 175.41 2hfq n ASP 14 N -4.04 2.53 0.00 0.86 2.03 -1.26 -5.01 116.55 111.66 2hfq n ASP 14 Ca -0.02 -2.60 0.00 0.00 0.52 0.00 0.00 54.79 52.69 2hfq n ASP 14 Cb 0.51 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 -0.56 2.59 3.30 0.27 0.00 -1.22 -5.18 105.19 104.39 2hfq n GLY 15 Ca 0.18 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 1.60 0.34 -0.43 1.61 -3.43 -1.26 -4.94 115.29 108.78 2hfq s HIS 16 Ca 0.00 -0.72 -0.29 0.00 -0.80 0.00 0.00 55.06 53.25 2hfq s HIS 16 Cb 0.00 -0.07 0.02 0.00 -1.43 0.00 0.00 32.58 31.10 2hfq s HIS 16 CO 0.00 -0.67 1.33 0.08 -2.00 0.00 0.00 174.74 173.48 2hfq s VAL 17 N -3.94 4.00 -0.97 -5.38 1.01 -1.26 -1.60 120.40 112.26 2hfq s VAL 17 Ca 0.14 1.02 -0.24 0.00 0.00 0.00 0.00 61.98 62.90 2hfq s VAL 17 Cb 0.04 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 2hfq s VAL 17 CO -0.03 -0.83 1.86 -0.04 0.00 0.00 0.00 175.10 176.06 2hfq s MET 18 N 4.77 2.75 -0.35 2.72 -1.94 0.12 -4.67 119.30 122.71 2hfq s MET 18 Ca 0.57 -0.58 -0.15 0.00 -1.71 0.00 0.00 55.69 53.81 2hfq s MET 18 Cb -0.12 -5.15 -0.01 0.00 2.01 0.00 0.00 34.83 31.57 2hfq s MET 18 CO 0.32 -3.24 0.37 -1.58 -0.01 0.00 0.00 175.02 170.88 2hfq s HIS 19 N 9.23 3.21 0.01 -0.03 2.46 -1.26 -2.35 115.29 126.55 2hfq s HIS 19 Ca 0.66 -0.08 -0.12 0.00 0.47 0.00 0.00 55.06 55.99 2hfq s HIS 19 Cb -0.05 -2.69 0.01 0.00 -0.13 0.00 0.00 32.58 29.73 2hfq s HIS 19 CO -0.00 -0.46 0.25 -0.59 -2.47 0.00 0.00 174.74 171.47 2hfq s PHE 20 N 2.02 -0.07 -0.27 3.88 -0.71 -1.22 -2.88 117.98 118.73 2hfq s PHE 20 Ca 0.11 0.00 -0.15 0.00 -1.04 0.00 0.00 56.93 55.86 2hfq s PHE 20 Cb -0.17 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.65 2hfq s PHE 20 CO 0.12 -0.41 0.36 -0.51 -1.34 0.00 0.00 175.22 173.44 2hfq s ASP 21 N -1.67 6.23 -0.47 1.98 1.01 -0.17 -2.58 116.67 120.99 2hfq s ASP 21 Ca -0.10 0.25 -0.21 0.00 0.71 0.00 0.00 52.55 53.20 2hfq s ASP 21 Cb -0.04 -2.20 0.04 0.00 1.01 0.00 0.00 42.92 41.73 2hfq s ASP 21 CO 0.00 -0.18 0.71 -0.69 0.21 0.00 0.00 175.17 175.22 2hfq s VAL 22 N 2.04 4.74 -0.31 -1.27 1.01 -0.86 -0.68 120.40 125.07 2hfq s VAL 22 Ca 0.14 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 2hfq s VAL 22 Cb -0.16 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 2hfq s VAL 22 CO 0.10 -0.75 0.62 -0.36 0.00 0.00 0.00 175.10 174.71 2hfq s PHE 23 N 3.03 3.21 0.19 5.22 0.08 0.15 -1.33 117.98 128.52 2hfq s PHE 23 Ca 0.23 0.54 0.04 0.00 0.12 0.00 0.00 56.93 57.86 2hfq s PHE 23 Cb -0.15 -3.00 -0.05 0.00 -0.57 0.00 0.00 43.02 39.25 2hfq s PHE 23 CO 0.18 -0.49 -0.05 0.95 -0.10 0.00 0.00 175.22 175.71 2hfq s THR 24 N 2.61 1.09 -1.35 0.64 -4.23 -0.68 -0.74 115.64 112.98 2hfq s THR 24 Ca 0.25 -2.05 0.15 0.00 -1.18 0.00 0.00 61.69 58.86 2hfq s THR 24 Cb -0.15 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.58 2hfq s THR 24 CO 0.12 -0.52 0.80 -0.90 -0.54 0.00 0.00 174.62 173.59 2hfq n ASP 25 N -0.31 1.55 -4.79 3.99 5.75 -1.26 0.06 116.55 121.53 2hfq n ASP 25 Ca -0.07 -1.27 -0.36 0.00 -0.01 0.00 0.00 54.79 53.08 2hfq n ASP 25 Cb 0.62 0.45 -0.06 0.00 -1.03 0.00 0.00 41.12 41.10 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 -1.73 4.12 -0.31 2.12 1.01 -1.26 -4.94 120.40 119.41 2hfq s VAL 26 Ca 0.12 1.58 0.11 0.00 0.00 0.00 0.00 61.98 63.79 2hfq s VAL 26 Cb 0.12 -3.79 0.75 0.00 0.00 0.00 0.00 36.38 33.45 2hfq s VAL 26 CO 0.35 -0.03 1.72 0.54 0.00 0.00 0.00 175.10 177.68 2hfq n ARG 27 N 0.01 4.19 -4.39 2.72 1.74 -1.26 -4.89 116.66 114.78 2hfq n ARG 27 Ca 0.04 -2.96 -0.32 0.00 -0.77 0.00 0.00 57.85 53.85 2hfq n ARG 27 Cb 0.51 -2.21 -0.16 0.00 -1.02 0.00 0.00 32.46 29.58 2hfq n ARG 27 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2hfq s ASP 28 N -0.83 2.95 0.11 0.55 -1.08 -1.26 -5.02 116.67 112.10 2hfq s ASP 28 Ca 0.52 -0.57 -0.19 0.00 -0.52 0.00 0.00 52.55 51.79 2hfq s ASP 28 Cb 0.41 -1.36 -0.06 0.00 -1.46 0.00 0.00 42.92 40.44 2hfq s ASP 28 CO 0.14 0.03 1.72 0.44 0.52 0.00 0.00 175.17 178.02 2hfq h ASP 29 N 7.62 0.29 -0.20 -0.34 5.19 -2.00 -2.39 116.42 124.59 2hfq h ASP 29 Ca -0.37 -0.08 -0.10 0.00 -0.62 0.00 0.00 57.03 55.87 2hfq h ASP 29 Cb 1.17 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 2hfq h ASP 29 CO 0.57 0.28 -0.19 0.50 -3.12 0.00 0.00 179.24 177.28 2hfq h LYS 30 N 0.27 0.63 -0.28 3.56 3.64 -1.98 -0.53 116.57 121.88 2hfq h LYS 30 Ca 0.08 -0.23 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2hfq h LYS 30 Cb 0.06 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2hfq h LYS 30 CO -0.01 0.78 0.08 0.87 -2.27 0.00 0.00 179.45 178.90 2hfq h LYS 31 N 0.56 0.19 -0.78 1.90 6.56 -1.95 0.42 116.57 123.48 2hfq h LYS 31 Ca 0.09 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 2hfq h LYS 31 Cb 0.64 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.22 2hfq h LYS 31 CO 0.05 0.13 0.50 0.00 -2.06 0.00 0.00 179.45 178.06 2hfq h ALA 32 N 1.18 0.99 -0.09 3.86 0.00 -0.90 0.19 119.26 124.48 2hfq h ALA 32 Ca 0.12 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2hfq h ALA 32 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2hfq h ALA 32 CO -0.14 0.42 -0.02 0.82 0.00 0.00 0.00 179.25 180.33 2hfq h ILE 33 N 1.06 0.91 -0.29 0.00 2.04 -0.54 -2.22 117.51 118.47 2hfq h ILE 33 Ca 0.28 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.11 2hfq h ILE 33 Cb -0.09 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2hfq h ILE 33 CO -0.06 0.00 0.05 -0.33 0.00 0.00 0.00 178.15 177.81 2hfq h GLU 34 N 0.00 0.42 -0.40 2.37 4.39 0.49 0.18 114.58 122.02 2hfq h GLU 34 Ca 0.04 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2hfq h GLU 34 Cb 0.07 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2hfq h GLU 34 CO -0.09 0.40 0.19 0.74 -1.16 0.00 0.00 179.01 179.09 2hfq h PHE 35 N 0.41 0.58 -0.42 4.33 0.04 -0.25 0.56 116.94 122.18 2hfq h PHE 35 Ca 0.10 -0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.72 2hfq h PHE 35 Cb 0.19 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2hfq h PHE 35 CO 0.01 0.49 -0.22 0.00 -0.60 0.00 0.00 178.31 177.98 2hfq h ALA 36 N 1.04 0.81 -0.53 2.45 0.00 -0.81 -2.21 119.26 120.00 2hfq h ALA 36 Ca 0.14 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2hfq h ALA 36 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2hfq h ALA 36 CO -0.02 0.65 0.23 0.87 0.00 0.00 0.00 179.25 180.98 2hfq h LYS 37 N 0.74 0.78 -0.34 0.00 1.57 -0.28 -0.35 116.57 118.70 2hfq h LYS 37 Ca 0.10 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2hfq h LYS 37 Cb 0.76 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 2hfq h LYS 37 CO 0.06 0.67 0.07 1.96 -0.57 0.00 0.00 179.45 181.65 2hfq h GLN 38 N 0.71 0.49 -0.48 3.15 4.20 0.22 0.49 115.11 123.90 2hfq h GLN 38 Ca 0.18 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 2hfq h GLN 38 Cb 0.17 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2hfq h GLN 38 CO -0.02 0.46 0.07 2.35 -0.67 0.00 0.00 178.83 181.03 2hfq h TRP 39 N 0.48 0.85 -0.72 2.96 7.01 -0.88 -1.69 115.95 123.96 2hfq h TRP 39 Ca 0.11 -0.12 -0.06 0.00 2.11 0.00 0.00 58.89 60.93 2hfq h TRP 39 Cb 0.20 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.00 2hfq h TRP 39 CO 0.01 0.79 0.20 -0.07 -2.79 0.00 0.00 178.44 176.58 2hfq h LEU 40 N 0.67 1.08 -0.58 0.65 3.38 0.03 -2.38 115.31 118.15 2hfq h LEU 40 Ca 0.14 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2hfq h LEU 40 Cb 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2hfq h LEU 40 CO 0.01 1.01 0.39 0.28 0.09 0.00 0.00 178.44 180.22 2hfq h SER 41 N 1.09 0.67 0.96 -0.43 0.02 0.16 0.55 113.55 116.57 2hfq h SER 41 Ca 0.23 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 2hfq h SER 41 Cb 0.34 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2hfq h SER 41 CO -0.00 0.49 -0.43 0.77 -1.14 0.00 0.00 176.83 176.52 2hfq h SER 42 N 0.79 0.00 0.40 3.07 4.64 -1.14 -3.13 113.55 118.19 2hfq h SER 42 Ca 0.21 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.23 2hfq h SER 42 Cb -0.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 61.95 2hfq h SER 42 CO -0.05 0.43 -1.83 2.30 -0.87 0.00 0.00 176.83 176.82 2hfq n ILE 43 N -3.48 1.58 0.00 0.95 -5.35 -0.91 -4.99 119.36 107.15 2hfq n ILE 43 Ca 0.00 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 2hfq n ILE 43 Cb 0.57 -0.95 0.00 0.00 -1.74 0.00 0.00 39.64 37.51 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 1.59 1.15 2.23 3.28 0.00 0.18 -5.00 105.19 108.63 2hfq n GLY 44 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.52 2.29 -0.28 1.61 4.71 -0.39 -4.95 120.64 122.12 2hfq n GLU 45 Ca 0.00 -3.02 -0.05 0.00 -0.01 0.00 0.00 57.16 54.09 2hfq n GLU 45 Cb 0.00 -2.18 0.04 0.00 -1.01 0.00 0.00 31.44 28.28 2hfq n GLU 45 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2hfq n GLU 46 N -1.11 -0.53 0.00 3.49 1.02 -1.24 -4.46 120.64 117.82 2hfq n GLU 46 Ca 0.60 -0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2hfq n GLU 46 Cb 1.55 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 32.73 2hfq n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hfq n GLY 47 N 2.93 2.95 3.69 0.62 0.00 -1.26 -5.03 105.19 109.09 2hfq n GLY 47 Ca 0.03 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.69 3.55 -1.01 4.61 0.00 -1.26 -4.93 121.76 120.03 2hfq s ALA 48 Ca 0.00 0.76 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 2hfq s ALA 48 Cb 0.00 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.57 2hfq s ALA 48 CO 0.00 -0.88 1.59 0.99 0.00 0.00 0.00 175.76 177.46 2hfq s THR 49 N 2.43 3.81 -0.64 0.00 2.01 -1.26 -4.93 115.64 117.06 2hfq s THR 49 Ca 0.61 -0.74 -0.27 0.00 0.31 0.00 0.00 61.69 61.59 2hfq s THR 49 Cb -0.28 -4.81 0.03 0.00 0.01 0.00 0.00 72.50 67.45 2hfq s THR 49 CO 0.24 -1.69 1.20 -0.69 -0.69 0.00 0.00 174.62 172.99 2hfq s VAL 50 N 6.26 3.94 0.24 3.82 1.01 -1.26 -4.83 120.40 129.58 2hfq s VAL 50 Ca 0.53 0.64 0.02 0.00 0.00 0.00 0.00 61.98 63.16 2hfq s VAL 50 Cb -0.01 -4.79 0.02 0.00 0.00 0.00 0.00 36.38 31.59 2hfq s VAL 50 CO -0.06 -1.53 0.13 0.35 0.00 0.00 0.00 175.10 173.99 2hfq n THR 51 N 6.51 0.00 1.09 3.92 -2.24 -1.26 -4.95 114.28 117.35 2hfq n THR 51 Ca 0.06 -0.99 0.08 0.00 -2.27 0.00 0.00 64.05 60.92 2hfq n THR 51 Cb 0.49 -0.15 0.46 0.00 -2.10 0.00 0.00 70.33 69.03 2hfq n THR 51 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2hfq n SER 52 N -1.70 0.00 -0.03 3.42 3.41 -1.26 -1.22 113.62 116.23 2hfq n SER 52 Ca -0.03 -0.61 -0.07 0.00 -0.26 0.00 0.00 58.87 57.90 2hfq n SER 52 Cb 0.28 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.09 2hfq n SER 52 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2hfq n GLU 53 N -0.94 0.64 0.04 4.33 2.13 -1.26 -4.30 120.64 121.28 2hfq n GLU 53 Ca 0.12 0.21 -0.01 0.00 0.66 0.00 0.00 57.16 58.14 2hfq n GLU 53 Cb 0.05 -1.73 -0.08 0.00 0.27 0.00 0.00 31.44 29.96 2hfq n GLU 53 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2hfq h GLU 54 N 0.00 0.00 -4.65 5.31 4.39 -1.48 -3.43 114.58 114.71 2hfq h GLU 54 Ca -0.32 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 58.68 2hfq h GLU 54 Cb 1.99 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 30.40 2hfq h GLU 54 CO 0.06 0.37 -0.54 0.00 -1.16 0.00 0.00 179.01 177.75 2hfq s ARG 56 N 1.55 3.02 -0.30 0.00 3.52 0.20 -4.75 118.95 122.19 2hfq s ARG 56 Ca 0.02 -1.48 -0.29 0.00 -0.13 0.00 0.00 55.73 53.86 2hfq s ARG 56 Cb -0.19 -4.27 -0.02 0.00 -1.56 0.00 0.00 34.95 28.91 2hfq s ARG 56 CO 0.06 -1.43 1.71 0.12 -0.81 0.00 0.00 175.30 174.95 2hfq s PHE 57 N 2.18 1.95 -0.02 5.12 5.36 -1.26 -0.19 117.98 131.12 2hfq s PHE 57 Ca 0.08 0.59 -0.02 0.00 -0.96 0.00 0.00 56.93 56.62 2hfq s PHE 57 Cb -0.27 -4.10 -0.01 0.00 -0.34 0.00 0.00 43.02 38.30 2hfq s PHE 57 CO 0.05 -2.90 0.19 0.00 -1.46 0.00 0.00 175.22 171.10 2hfq n HIS 59 N -2.77 0.00 -4.18 0.00 1.44 -1.25 -5.04 115.22 103.42 2hfq n HIS 59 Ca -0.01 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.36 2hfq n HIS 59 Cb 0.02 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 29.99 2hfq n HIS 59 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2hfq s SER 60 N -4.00 4.25 0.43 4.39 0.15 -1.25 -1.63 113.70 116.04 2hfq s SER 60 Ca 0.00 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.33 2hfq s SER 60 Cb 0.00 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.57 2hfq s SER 60 CO 0.00 0.05 0.06 -1.83 1.20 0.00 0.00 173.24 172.72 2hfq s GLU 61 N 1.06 1.98 -0.13 5.44 1.03 -0.82 -4.84 118.70 122.43 2hfq s GLU 61 Ca 0.01 -2.21 -0.29 0.00 0.03 0.00 0.00 54.97 52.50 2hfq s GLU 61 Cb -0.15 -1.09 -0.02 0.00 -0.80 0.00 0.00 34.13 32.08 2hfq s GLU 61 CO -0.01 -0.34 1.16 0.15 -1.33 0.00 0.00 175.26 174.89 2hfq s LYS 62 N -3.80 4.31 0.14 -4.83 1.02 -1.26 -0.51 119.74 114.81 2hfq s LYS 62 Ca 0.21 1.56 0.05 0.00 0.02 0.00 0.00 55.97 57.81 2hfq s LYS 62 Cb 0.04 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 2hfq s LYS 62 CO 0.11 -0.54 0.06 0.00 -0.92 0.00 0.00 175.35 174.06 2hfq s ALA 63 N 2.76 3.40 0.42 5.17 0.00 0.73 -4.90 121.76 129.34 2hfq s ALA 63 Ca 0.52 -1.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.03 2hfq s ALA 63 Cb -0.21 -1.23 -0.09 0.00 0.00 0.00 0.00 23.12 21.60 2hfq s ALA 63 CO 0.16 0.57 1.07 -2.14 0.00 0.00 0.00 175.76 175.42 2hfq s PRO 64 N -2.81 4.03 0.65 0.00 0.02 -1.26 -3.44 135.00 132.19 2hfq s PRO 64 Ca 0.29 1.54 0.41 0.00 0.02 0.00 0.00 61.00 63.26 2hfq s PRO 64 Cb -0.10 -2.45 2.28 0.00 0.02 0.00 0.00 34.50 34.24 2hfq s PRO 64 CO 0.21 -0.26 2.35 -0.44 -0.33 0.00 0.00 177.00 178.52 2hfq h ASP 65 N 2.28 0.00 -0.45 2.53 5.19 -1.99 -2.35 116.42 121.63 2hfq h ASP 65 Ca -0.49 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 55.99 2hfq h ASP 65 Cb 1.22 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.68 2hfq h ASP 65 CO 0.61 0.00 0.13 -0.33 -3.12 0.00 0.00 179.24 176.53 2hfq h GLU 66 N 0.00 0.27 0.00 3.56 4.39 -2.03 -2.69 114.58 118.09 2hfq h GLU 66 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2hfq h GLU 66 Cb 0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2hfq h GLU 66 CO 0.00 0.18 -0.79 -0.39 -1.16 0.00 0.00 179.01 176.85 2hfq h VAL 67 N 0.28 0.00 -0.12 3.13 -1.51 -1.82 -3.36 116.25 112.86 2hfq h VAL 67 Ca 0.21 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2hfq h VAL 67 Cb 0.24 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.80 2hfq h VAL 67 CO -0.24 0.00 0.08 0.40 -1.23 0.00 0.00 177.57 176.57 2hfq h ILE 68 N 0.00 1.03 -0.45 7.19 1.08 -1.34 -1.66 117.51 123.36 2hfq h ILE 68 Ca 0.00 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.43 2hfq h ILE 68 Cb 0.92 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 2hfq h ILE 68 CO 0.00 0.03 0.30 -0.33 -0.69 0.00 0.00 178.15 177.46 2hfq h GLU 69 N 0.16 0.55 -0.46 2.37 4.39 -1.68 -0.95 114.58 118.95 2hfq h GLU 69 Ca 0.04 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 2hfq h GLU 69 Cb -0.02 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 2hfq h GLU 69 CO -0.01 0.36 -0.18 0.00 -1.16 0.00 0.00 179.01 178.02 2hfq h ALA 70 N 1.73 0.64 -0.13 3.43 0.00 -1.56 -0.45 119.26 122.92 2hfq h ALA 70 Ca 0.17 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2hfq h ALA 70 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2hfq h ALA 70 CO -0.04 0.60 -0.32 0.82 0.00 0.00 0.00 179.25 180.31 2hfq h ILE 71 N 0.78 1.27 -0.10 0.00 2.04 -0.52 0.31 117.51 121.29 2hfq h ILE 71 Ca 0.11 -1.30 -0.16 0.00 1.00 0.00 0.00 64.86 64.51 2hfq h ILE 71 Cb 0.75 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2hfq h ILE 71 CO 0.06 0.39 -0.63 0.11 0.00 0.00 0.00 178.15 178.08 2hfq h LYS 72 N 0.23 0.36 0.00 2.37 1.57 -0.93 -0.40 116.57 119.77 2hfq h LYS 72 Ca 0.03 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 2hfq h LYS 72 Cb 0.68 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 2hfq h LYS 72 CO 0.05 0.87 -0.28 0.37 -0.57 0.00 0.00 179.45 179.89 2hfq h GLN 73 N 0.26 0.00 0.08 3.15 5.75 -0.69 -3.39 115.11 120.26 2hfq h GLN 73 Ca -0.01 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.23 2hfq h GLN 73 Cb 1.17 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 2hfq h GLN 73 CO 0.11 0.36 -1.26 -0.91 -2.65 0.00 0.00 178.83 174.48 2hfq h ASN 74 N -1.00 0.26 0.00 -0.69 2.35 -0.54 -3.47 115.58 112.49 2hfq h ASN 74 Ca -0.05 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2hfq h ASN 74 Cb 0.52 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2hfq h ASN 74 CO -0.03 1.24 0.00 0.61 -1.65 0.00 0.00 177.43 177.61 2hfq n GLY 75 N 1.51 1.35 3.46 2.83 0.00 -0.16 -5.04 105.19 109.13 2hfq n GLY 75 Ca -0.08 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 -2.21 -0.47 -0.10 1.61 1.13 -1.23 -4.61 117.35 111.48 2hfq s TYR 76 Ca 0.00 0.32 0.02 0.00 -1.41 0.00 0.00 57.07 56.00 2hfq s TYR 76 Cb 0.00 0.55 0.02 0.00 -1.10 0.00 0.00 41.96 41.42 2hfq s TYR 76 CO 0.00 -0.72 -0.13 0.12 -2.51 0.00 0.00 175.55 172.30 2hfq s PHE 77 N -3.40 1.76 -0.53 -3.49 5.36 0.09 -4.26 117.98 113.51 2hfq s PHE 77 Ca 0.02 -0.79 -0.17 0.00 -0.96 0.00 0.00 56.93 55.03 2hfq s PHE 77 Cb -0.01 -1.30 0.10 0.00 -0.34 0.00 0.00 43.02 41.47 2hfq s PHE 77 CO -0.11 -0.42 0.54 0.42 -1.46 0.00 0.00 175.22 174.20 2hfq s ILE 78 N 0.98 5.06 -0.90 3.12 -1.09 -1.26 -0.68 121.20 126.44 2hfq s ILE 78 Ca -0.07 -1.08 -0.22 0.00 -2.23 0.00 0.00 60.65 57.05 2hfq s ILE 78 Cb -0.15 -4.31 0.08 0.00 -1.58 0.00 0.00 42.46 36.50 2hfq s ILE 78 CO -0.01 -0.84 1.23 -0.47 -1.23 0.00 0.00 174.94 173.62 2hfq s TYR 79 N 2.06 2.76 -0.63 3.97 5.04 0.14 -4.95 117.35 125.74 2hfq s TYR 79 Ca 0.07 -0.94 -0.26 0.00 -2.44 0.00 0.00 57.07 53.51 2hfq s TYR 79 Cb -0.25 -4.46 -0.04 0.00 0.35 0.00 0.00 41.96 37.56 2hfq s TYR 79 CO 0.06 -1.73 2.03 0.15 -1.34 0.00 0.00 175.55 174.73 2hfq s LYS 80 N 3.99 2.44 -0.01 4.97 1.02 -1.26 -1.00 119.74 129.89 2hfq s LYS 80 Ca 0.36 0.67 -0.10 0.00 0.02 0.00 0.00 55.97 56.91 2hfq s LYS 80 Cb -0.05 -4.55 -0.06 0.00 -0.52 0.00 0.00 37.83 32.65 2hfq s LYS 80 CO -0.04 -3.04 0.67 1.98 -0.92 0.00 0.00 175.35 174.00 2hfq h MET 81 N 15.44 -0.36 0.00 1.68 1.85 -1.89 -3.43 114.93 128.22 2hfq h MET 81 Ca -0.19 0.02 -0.08 0.00 -0.61 0.00 0.00 59.70 58.84 2hfq h MET 81 Cb 1.16 0.08 -0.13 0.00 0.43 0.00 0.00 31.60 33.14 2hfq h MET 81 CO 1.19 -0.24 -0.45 -1.91 -0.40 0.00 0.00 176.91 175.10 2hfq n GLU 82 N -3.69 0.00 -0.06 0.39 2.13 -1.14 -4.91 120.64 113.36 2hfq n GLU 82 Ca -0.05 -1.00 0.04 0.00 0.66 0.00 0.00 57.16 56.81 2hfq n GLU 82 Cb 0.15 0.02 0.15 0.00 0.27 0.00 0.00 31.44 32.03 2hfq n GLU 82 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hfq n GLY 83 N 0.13 -0.37 0.67 8.31 0.00 -1.23 -3.41 105.19 109.28 2hfq n GLY 83 Ca -0.06 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.92 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32