#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 0.32 -0.03 2.12 2.00 -1.26 -4.81 119.66 118.00 2hfq s GLN 2 Ca 0.00 0.36 -0.30 0.00 -2.00 0.00 0.00 55.36 53.42 2hfq s GLN 2 Cb 0.00 0.16 -0.05 0.00 0.80 0.00 0.00 33.01 33.92 2hfq s GLN 2 CO 0.00 -0.04 1.42 0.96 -0.50 0.00 0.00 175.29 177.13 2hfq s ILE 3 N 0.11 3.77 -0.37 -2.34 -4.36 -1.24 -4.34 121.20 112.43 2hfq s ILE 3 Ca -0.00 1.09 -0.18 0.00 -0.26 0.00 0.00 60.65 61.30 2hfq s ILE 3 Cb -0.02 -3.70 0.00 0.00 1.25 0.00 0.00 42.46 39.99 2hfq s ILE 3 CO 0.00 -0.03 0.51 -1.00 0.24 0.00 0.00 174.94 174.66 2hfq s HIS 4 N 2.81 3.17 -0.49 1.37 3.76 0.13 -3.06 115.29 122.97 2hfq s HIS 4 Ca 0.64 0.08 -0.24 0.00 -0.15 0.00 0.00 55.06 55.39 2hfq s HIS 4 Cb -0.30 -2.95 0.03 0.00 1.11 0.00 0.00 32.58 30.47 2hfq s HIS 4 CO 0.25 -0.59 0.86 0.08 -0.85 0.00 0.00 174.74 174.50 2hfq s VAL 5 N 2.39 4.53 -0.64 -0.90 1.01 0.74 -2.56 120.40 124.96 2hfq s VAL 5 Ca 0.18 0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.49 2hfq s VAL 5 Cb -0.16 -4.42 0.17 0.00 0.00 0.00 0.00 36.38 31.97 2hfq s VAL 5 CO 0.14 -0.89 0.51 -0.31 0.00 0.00 0.00 175.10 174.55 2hfq s TYR 6 N 3.59 3.52 -0.46 5.22 1.51 -0.30 -0.80 117.35 129.64 2hfq s TYR 6 Ca 0.31 -2.30 -0.28 0.00 -1.01 0.00 0.00 57.07 53.80 2hfq s TYR 6 Cb -0.12 -3.46 -0.02 0.00 -0.11 0.00 0.00 41.96 38.26 2hfq s TYR 6 CO 0.22 -0.92 1.78 0.34 -1.11 0.00 0.00 175.55 175.85 2hfq s ASP 7 N 1.62 5.68 -0.23 2.29 2.15 -1.05 -1.31 116.67 125.82 2hfq s ASP 7 Ca 0.14 0.84 -0.06 0.00 0.43 0.00 0.00 52.55 53.90 2hfq s ASP 7 Cb -0.19 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.88 2hfq s ASP 7 CO -0.04 -1.96 0.04 -0.89 -0.17 0.00 0.00 175.17 172.14 2hfq s THR 8 N 7.65 4.15 -0.12 1.71 2.01 -0.71 -3.23 115.64 127.11 2hfq s THR 8 Ca 0.72 -0.24 -0.24 0.00 0.31 0.00 0.00 61.69 62.25 2hfq s THR 8 Cb -0.17 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 2hfq s THR 8 CO 0.28 0.38 0.76 -0.31 -0.69 0.00 0.00 174.62 175.05 2hfq s TYR 9 N 1.33 3.50 -0.24 4.92 2.02 0.05 -2.72 117.35 126.21 2hfq s TYR 9 Ca 0.05 1.25 0.02 0.00 -0.37 0.00 0.00 57.07 58.02 2hfq s TYR 9 Cb -0.15 -2.91 0.05 0.00 -0.40 0.00 0.00 41.96 38.56 2hfq s TYR 9 CO 0.02 -0.07 -0.12 0.08 -1.57 0.00 0.00 175.55 173.89 2hfq s VAL 10 N 1.45 2.06 -0.54 0.71 1.01 0.11 -4.70 120.40 120.50 2hfq s VAL 10 Ca 0.38 -1.46 -0.28 0.00 0.00 0.00 0.00 61.98 60.62 2hfq s VAL 10 Cb -0.17 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.10 2hfq s VAL 10 CO 0.16 0.06 1.24 -0.54 0.00 0.00 0.00 175.10 176.02 2hfq s LYS 11 N 1.17 3.53 0.44 2.72 1.02 -1.26 -1.46 119.74 125.90 2hfq s LYS 11 Ca -0.06 0.42 -0.22 0.00 0.02 0.00 0.00 55.97 56.13 2hfq s LYS 11 Cb -0.19 -4.01 -0.10 0.00 -0.52 0.00 0.00 37.83 33.02 2hfq s LYS 11 CO -0.07 -1.65 1.00 0.00 -0.92 0.00 0.00 175.35 173.71 2hfq s ALA 12 N 5.10 3.00 0.20 5.17 0.00 -1.25 -4.93 121.76 129.05 2hfq s ALA 12 Ca 0.48 0.54 -0.08 0.00 0.00 0.00 0.00 51.96 52.89 2hfq s ALA 12 Cb -0.09 -3.21 0.13 0.00 0.00 0.00 0.00 23.12 19.96 2hfq s ALA 12 CO 0.28 -0.08 1.71 0.87 0.00 0.00 0.00 175.76 178.53 2hfq h LYS 13 N 1.99 1.11 0.00 0.00 1.57 -1.95 -3.41 116.57 115.89 2hfq h LYS 13 Ca -0.49 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.01 2hfq h LYS 13 Cb 1.20 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2hfq h LYS 13 CO 0.61 1.00 0.00 -3.47 -0.57 0.00 0.00 179.45 177.01 2hfq n ASP 14 N -4.22 0.00 -1.14 0.86 2.03 -1.26 -4.91 116.55 107.91 2hfq n ASP 14 Ca 0.05 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.33 2hfq n ASP 14 Cb 0.28 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.70 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 0.00 2.31 0.50 0.27 0.00 -1.26 -4.93 105.19 102.07 2hfq n GLY 15 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.26 -1.36 -2.02 1.61 -0.00 -1.26 -4.82 115.22 107.63 2hfq n HIS 16 Ca 0.08 0.72 -0.43 0.00 0.46 0.00 0.00 57.72 58.55 2hfq n HIS 16 Cb 0.65 -1.85 -0.03 0.00 -0.12 0.00 0.00 29.99 28.64 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 -2.19 3.55 -0.07 3.57 1.01 -1.26 -3.95 120.40 121.05 2hfq s VAL 17 Ca 0.00 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 62.54 2hfq s VAL 17 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2hfq s VAL 17 CO 0.00 -0.31 0.09 -0.04 0.00 0.00 0.00 175.10 174.84 2hfq s MET 18 N 5.10 3.22 -0.03 2.72 -1.94 -0.53 -4.94 119.30 122.91 2hfq s MET 18 Ca 0.77 -0.32 -0.02 0.00 -1.71 0.00 0.00 55.69 54.41 2hfq s MET 18 Cb -0.25 -2.99 0.01 0.00 2.01 0.00 0.00 34.83 33.61 2hfq s MET 18 CO 0.32 0.71 0.08 -3.38 -0.01 0.00 0.00 175.02 172.74 2hfq s HIS 19 N -1.07 -0.08 0.22 -0.03 -3.43 -1.26 0.05 115.29 109.69 2hfq s HIS 19 Ca 0.18 0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 2hfq s HIS 19 Cb -0.12 -0.01 -0.05 0.00 -1.43 0.00 0.00 32.58 30.97 2hfq s HIS 19 CO 0.08 -0.06 0.10 -0.59 -2.00 0.00 0.00 174.74 172.27 2hfq s PHE 20 N 0.27 1.35 -0.40 0.38 -0.12 -1.10 -4.09 117.98 114.27 2hfq s PHE 20 Ca -0.02 -1.24 -0.17 0.00 -0.05 0.00 0.00 56.93 55.45 2hfq s PHE 20 Cb -0.03 -0.75 0.01 0.00 -0.63 0.00 0.00 43.02 41.63 2hfq s PHE 20 CO -0.01 -0.43 0.46 -0.51 -0.05 0.00 0.00 175.22 174.68 2hfq s ASP 21 N -3.24 6.23 -0.55 1.98 1.01 -0.49 -1.73 116.67 119.88 2hfq s ASP 21 Ca 0.36 -0.45 -0.23 0.00 0.71 0.00 0.00 52.55 52.94 2hfq s ASP 21 Cb 0.07 -2.24 0.05 0.00 1.01 0.00 0.00 42.92 41.81 2hfq s ASP 21 CO 0.12 -0.55 0.89 -0.69 0.21 0.00 0.00 175.17 175.15 2hfq s VAL 22 N 2.24 4.46 -0.38 -1.27 1.01 -0.43 -0.83 120.40 125.20 2hfq s VAL 22 Ca 0.14 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.03 2hfq s VAL 22 Cb -0.16 -4.52 0.01 0.00 0.00 0.00 0.00 36.38 31.71 2hfq s VAL 22 CO 0.14 -1.10 0.50 -0.36 0.00 0.00 0.00 175.10 174.28 2hfq s PHE 23 N 3.75 3.16 0.04 5.22 0.08 0.57 -1.15 117.98 129.66 2hfq s PHE 23 Ca 0.27 -0.00 -0.01 0.00 0.12 0.00 0.00 56.93 57.31 2hfq s PHE 23 Cb -0.14 -2.95 -0.03 0.00 -0.57 0.00 0.00 43.02 39.32 2hfq s PHE 23 CO 0.17 -0.61 -0.01 -0.08 -0.10 0.00 0.00 175.22 174.58 2hfq s THR 24 N 2.36 0.19 -0.57 0.64 -1.32 -1.06 0.27 115.64 116.15 2hfq s THR 24 Ca 0.17 -1.56 0.23 0.00 -1.21 0.00 0.00 61.69 59.32 2hfq s THR 24 Cb -0.16 -1.21 -0.11 0.00 -1.51 0.00 0.00 72.50 69.51 2hfq s THR 24 CO 0.14 -0.86 1.01 -0.67 -2.21 0.00 0.00 174.62 172.03 2hfq n ASP 25 N 0.45 0.60 -4.73 8.08 2.03 -1.26 0.17 116.55 121.90 2hfq n ASP 25 Ca -0.16 -0.16 -0.42 0.00 0.52 0.00 0.00 54.79 54.56 2hfq n ASP 25 Cb 0.60 0.81 -0.03 0.00 -0.72 0.00 0.00 41.12 41.78 2hfq n ASP 25 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2hfq s VAL 26 N -3.22 2.37 -1.09 5.18 1.01 -1.26 -4.85 120.40 118.54 2hfq s VAL 26 Ca 0.03 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 2hfq s VAL 26 Cb 0.14 -3.18 0.25 0.00 0.00 0.00 0.00 36.38 33.59 2hfq s VAL 26 CO 0.80 0.03 1.12 -0.60 0.00 0.00 0.00 175.10 176.45 2hfq s ARG 27 N 0.80 4.10 -0.29 2.72 3.52 -1.26 -4.91 118.95 123.63 2hfq s ARG 27 Ca 0.70 -2.99 -0.18 0.00 -0.13 0.00 0.00 55.73 53.13 2hfq s ARG 27 Cb -0.46 -4.63 0.14 0.00 -1.56 0.00 0.00 34.95 28.44 2hfq s ARG 27 CO 0.35 -1.34 0.98 0.34 -0.81 0.00 0.00 175.30 174.81 2hfq s ASP 28 N 1.72 -0.51 0.07 -2.12 2.15 -1.26 -5.05 116.67 111.67 2hfq s ASP 28 Ca 0.31 0.85 0.01 0.00 0.43 0.00 0.00 52.55 54.14 2hfq s ASP 28 Cb -0.09 1.14 -0.25 0.00 -0.30 0.00 0.00 42.92 43.42 2hfq s ASP 28 CO -0.07 -0.14 1.11 0.44 -0.17 0.00 0.00 175.17 176.34 2hfq h ASP 29 N 5.71 0.25 -0.27 -0.34 5.19 -1.99 -2.97 116.42 122.00 2hfq h ASP 29 Ca -0.28 -0.29 -0.07 0.00 -0.62 0.00 0.00 57.03 55.77 2hfq h ASP 29 Cb 1.19 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 2hfq h ASP 29 CO 0.18 1.23 -0.10 0.50 -3.12 0.00 0.00 179.24 177.93 2hfq h LYS 30 N 0.04 0.54 -0.26 3.56 3.64 -1.99 -1.07 116.57 121.04 2hfq h LYS 30 Ca -0.12 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 58.97 2hfq h LYS 30 Cb 1.91 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.70 2hfq h LYS 30 CO 0.16 0.77 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.76 2hfq h LYS 31 N 0.28 0.43 -0.32 1.90 1.63 -1.99 -0.58 116.57 117.92 2hfq h LYS 31 Ca 0.06 -0.12 -0.05 0.00 -0.85 0.00 0.00 60.65 59.70 2hfq h LYS 31 Cb 0.59 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 2hfq h LYS 31 CO 0.03 0.56 0.02 0.00 -3.45 0.00 0.00 179.45 176.61 2hfq h ALA 32 N 1.47 0.43 -0.93 5.00 0.00 -1.33 -0.61 119.26 123.29 2hfq h ALA 32 Ca 0.08 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2hfq h ALA 32 Cb 0.47 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2hfq h ALA 32 CO 0.03 0.17 0.60 0.82 0.00 0.00 0.00 179.25 180.86 2hfq h ILE 33 N 0.36 1.12 -0.33 0.00 2.04 -0.79 -1.70 117.51 118.21 2hfq h ILE 33 Ca 0.09 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.58 2hfq h ILE 33 Cb 0.42 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 2hfq h ILE 33 CO 0.01 0.21 0.19 -0.08 0.00 0.00 0.00 178.15 178.48 2hfq h GLU 34 N 1.13 0.38 -0.68 2.37 4.81 -0.75 -2.33 114.58 119.52 2hfq h GLU 34 Ca 0.38 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.61 2hfq h GLU 34 Cb 0.06 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2hfq h GLU 34 CO -0.14 0.25 0.43 0.74 -0.73 0.00 0.00 179.01 179.56 2hfq h PHE 35 N 0.39 0.82 -0.59 0.92 0.04 -0.46 -1.37 116.94 116.68 2hfq h PHE 35 Ca 0.13 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.93 2hfq h PHE 35 Cb 0.01 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.85 2hfq h PHE 35 CO -0.08 0.49 0.39 0.00 -0.60 0.00 0.00 178.31 178.51 2hfq h ALA 36 N 1.27 0.75 -0.26 2.45 0.00 -1.09 -2.43 119.26 119.96 2hfq h ALA 36 Ca 0.26 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2hfq h ALA 36 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2hfq h ALA 36 CO -0.09 0.17 -0.24 0.87 0.00 0.00 0.00 179.25 179.96 2hfq h LYS 37 N 0.79 0.50 -0.43 0.00 1.57 -0.93 -2.36 116.57 115.70 2hfq h LYS 37 Ca 0.22 -0.18 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2hfq h LYS 37 Cb -0.07 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2hfq h LYS 37 CO -0.06 0.70 0.21 1.96 -0.57 0.00 0.00 179.45 181.70 2hfq h GLN 38 N 0.44 0.42 -0.66 3.15 1.08 -0.78 0.26 115.11 119.01 2hfq h GLN 38 Ca 0.07 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 2hfq h GLN 38 Cb 0.66 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.97 2hfq h GLN 38 CO 0.05 0.28 0.12 2.35 -0.95 0.00 0.00 178.83 180.67 2hfq h TRP 39 N 0.43 1.15 -0.40 2.96 7.01 -1.31 -1.88 115.95 123.90 2hfq h TRP 39 Ca 0.19 -0.16 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 2hfq h TRP 39 Cb 0.10 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.82 2hfq h TRP 39 CO -0.10 0.96 0.09 -0.07 -2.79 0.00 0.00 178.44 176.53 2hfq h LEU 40 N 1.00 0.62 -1.38 0.65 3.38 -0.84 -0.25 115.31 118.49 2hfq h LEU 40 Ca 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2hfq h LEU 40 Cb 0.43 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2hfq h LEU 40 CO 0.01 0.70 0.16 0.28 0.09 0.00 0.00 178.44 179.68 2hfq h SER 41 N 0.51 0.52 -0.12 -0.43 0.02 -0.41 0.31 113.55 113.95 2hfq h SER 41 Ca 0.13 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 2hfq h SER 41 Cb 0.33 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2hfq h SER 41 CO 0.00 0.48 -0.26 -1.28 -1.14 0.00 0.00 176.83 174.63 2hfq h SER 42 N 0.57 0.44 1.00 3.07 0.87 -0.77 -3.23 113.55 115.51 2hfq h SER 42 Ca 0.14 -0.57 -0.04 0.00 -1.23 0.00 0.00 61.79 60.09 2hfq h SER 42 Cb 0.13 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2hfq h SER 42 CO -0.01 0.92 -0.21 0.16 -0.53 0.00 0.00 176.83 177.16 2hfq h ILE 43 N -0.03 0.50 0.00 2.23 3.07 -0.93 -3.47 117.51 118.88 2hfq h ILE 43 Ca 0.00 -1.11 0.00 0.00 1.55 0.00 0.00 64.86 65.30 2hfq h ILE 43 Cb 0.86 1.78 0.00 0.00 -0.27 0.00 0.00 36.82 39.19 2hfq h ILE 43 CO 0.06 0.20 0.00 0.61 -1.05 0.00 0.00 178.15 177.97 2hfq n GLY 44 N 0.23 1.32 0.31 0.16 0.00 -0.87 -4.98 105.19 101.37 2hfq n GLY 44 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2hfq n GLY 44 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2hfq h GLU 45 N 0.00 0.61 0.00 1.61 4.39 -1.22 -3.46 114.58 116.50 2hfq h GLU 45 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2hfq h GLU 45 Cb 0.00 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2hfq h GLU 45 CO 0.00 0.43 0.00 -1.91 -1.16 0.00 0.00 179.01 176.37 2hfq n GLU 46 N -4.44 0.00 -3.71 2.33 4.07 -0.59 -4.52 120.64 113.79 2hfq n GLU 46 Ca 0.04 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.86 2hfq n GLU 46 Cb 0.08 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.29 2hfq n GLU 46 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2hfq s GLY 47 N 0.00 0.68 0.21 8.31 0.00 -1.26 -3.76 107.32 111.50 2hfq s GLY 47 Ca 0.00 -0.77 0.11 0.00 0.00 0.00 0.00 44.72 44.06 2hfq s GLY 47 CO 0.00 1.53 -0.21 0.00 0.00 0.00 0.00 173.10 174.41 2hfq s ALA 48 N 1.89 2.48 -0.48 3.20 0.00 -1.26 -5.08 121.76 122.51 2hfq s ALA 48 Ca 0.01 -1.68 -0.27 0.00 0.00 0.00 0.00 51.96 50.01 2hfq s ALA 48 Cb -0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2hfq s ALA 48 CO -0.12 0.34 1.80 0.99 0.00 0.00 0.00 175.76 178.77 2hfq s THR 49 N -2.03 3.45 -0.32 0.00 2.01 -1.26 -4.94 115.64 112.55 2hfq s THR 49 Ca 0.23 0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.64 2hfq s THR 49 Cb -0.06 -3.84 0.09 0.00 0.01 0.00 0.00 72.50 68.70 2hfq s THR 49 CO 0.11 -0.68 0.03 -0.69 -0.69 0.00 0.00 174.62 172.69 2hfq s VAL 50 N 7.87 2.11 0.00 3.82 1.01 -1.26 -4.83 120.40 129.12 2hfq s VAL 50 Ca 0.72 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 60.58 2hfq s VAL 50 Cb -0.17 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2hfq s VAL 50 CO 0.27 -0.50 0.00 0.35 0.00 0.00 0.00 175.10 175.22 2hfq n THR 51 N 4.34 0.00 0.63 3.92 -2.24 -1.26 -4.93 114.28 114.74 2hfq n THR 51 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 2hfq n THR 51 Cb 0.42 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 69.00 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 -0.92 0.00 0.06 3.42 7.64 -1.26 -1.07 113.62 121.48 2hfq n SER 52 Ca 0.00 0.21 -0.22 0.00 1.01 0.00 0.00 58.87 59.87 2hfq n SER 52 Cb 0.00 -0.35 -0.15 0.00 -1.01 0.00 0.00 64.21 62.70 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 0.34 0.09 1.43 4.57 -1.98 -3.40 114.58 115.63 2hfq h GLU 53 Ca 0.00 -0.59 -0.33 0.00 -1.18 0.00 0.00 59.36 57.27 2hfq h GLU 53 Cb 0.17 0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2hfq h GLU 53 CO 0.00 1.28 -1.76 0.93 -1.18 0.00 0.00 179.01 178.28 2hfq h GLU 54 N -0.19 0.20 -4.92 1.92 4.39 -1.77 -3.44 114.58 110.77 2hfq h GLU 54 Ca -0.24 -0.34 -0.69 0.00 0.34 0.00 0.00 59.36 58.43 2hfq h GLU 54 Cb 1.84 0.13 -0.18 0.00 -0.10 0.00 0.00 28.75 30.43 2hfq h GLU 54 CO 0.15 1.16 -0.13 0.00 -1.16 0.00 0.00 179.01 179.03 2hfq s ARG 56 N 2.27 1.21 -0.40 0.00 0.52 -1.20 -4.47 118.95 116.89 2hfq s ARG 56 Ca 0.13 -1.03 -0.24 0.00 -0.52 0.00 0.00 55.73 54.08 2hfq s ARG 56 Cb -0.17 -1.38 0.02 0.00 0.52 0.00 0.00 34.95 33.93 2hfq s ARG 56 CO 0.14 0.34 0.81 0.12 0.02 0.00 0.00 175.30 176.72 2hfq s PHE 57 N -0.98 3.06 -0.20 -0.53 5.36 -1.26 -2.51 117.98 120.91 2hfq s PHE 57 Ca 0.06 0.45 -0.18 0.00 -0.96 0.00 0.00 56.93 56.30 2hfq s PHE 57 Cb -0.09 -3.54 -0.19 0.00 -0.34 0.00 0.00 43.02 38.85 2hfq s PHE 57 CO 0.03 -0.84 0.17 0.00 -1.46 0.00 0.00 175.22 173.11 2hfq s HIS 59 N -2.41 -0.05 -0.06 0.00 5.65 -1.22 -5.03 115.29 112.16 2hfq s HIS 59 Ca -0.29 -0.24 -0.05 0.00 0.25 0.00 0.00 55.06 54.73 2hfq s HIS 59 Cb 0.07 0.64 0.02 0.00 -1.18 0.00 0.00 32.58 32.13 2hfq s HIS 59 CO 0.61 -0.73 0.16 0.45 -0.65 0.00 0.00 174.74 174.58 2hfq s SER 60 N -3.11 -0.17 0.32 9.88 0.15 -1.26 -0.18 113.70 119.32 2hfq s SER 60 Ca 0.16 0.33 -0.18 0.00 0.70 0.00 0.00 55.95 56.96 2hfq s SER 60 Cb -0.00 0.32 0.06 0.00 -1.71 0.00 0.00 66.02 64.69 2hfq s SER 60 CO 0.02 -0.06 0.86 -1.83 1.20 0.00 0.00 173.24 173.43 2hfq s GLU 61 N 0.18 1.92 -0.29 5.44 -1.05 -1.17 -5.02 118.70 118.71 2hfq s GLU 61 Ca -0.01 -1.23 -0.33 0.00 -0.15 0.00 0.00 54.97 53.25 2hfq s GLU 61 Cb -0.02 0.55 -0.09 0.00 -0.44 0.00 0.00 34.13 34.12 2hfq s GLU 61 CO -0.00 -0.90 2.18 1.17 0.95 0.00 0.00 175.26 178.65 2hfq n LYS 62 N -0.58 1.43 -2.70 -4.83 4.81 -1.26 -3.63 118.16 111.40 2hfq n LYS 62 Ca -0.07 0.40 -0.42 0.00 -0.87 0.00 0.00 58.31 57.36 2hfq n LYS 62 Cb 0.60 -2.71 -0.03 0.00 0.02 0.00 0.00 35.03 32.90 2hfq n LYS 62 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hfq s ALA 63 N 7.38 3.18 0.49 3.14 0.00 -1.26 -4.94 121.76 129.75 2hfq s ALA 63 Ca 1.06 0.54 -0.24 0.00 0.00 0.00 0.00 51.96 53.32 2hfq s ALA 63 Cb -0.69 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.02 2hfq s ALA 63 CO 0.45 -0.26 1.39 -2.30 0.00 0.00 0.00 175.76 175.04 2hfq n PRO 64 N 3.97 1.97 -0.33 0.00 -0.02 -1.26 -4.93 135.00 134.39 2hfq n PRO 64 Ca 0.06 0.71 -0.04 0.00 -2.02 0.00 0.00 63.50 62.21 2hfq n PRO 64 Cb 0.51 -2.59 0.09 0.00 -0.02 0.00 0.00 33.50 31.49 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 1.87 1.13 0.02 2.55 3.58 -2.02 -2.88 116.42 120.68 2hfq h ASP 65 Ca -0.51 -0.10 -0.11 0.00 0.42 0.00 0.00 57.03 56.73 2hfq h ASP 65 Cb 1.29 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 2hfq h ASP 65 CO 0.59 0.91 -0.33 -0.08 -2.88 0.00 0.00 179.24 177.45 2hfq h GLU 66 N 1.26 0.44 0.00 0.28 4.81 -2.03 -2.53 114.58 116.82 2hfq h GLU 66 Ca 0.32 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2hfq h GLU 66 Cb 0.04 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2hfq h GLU 66 CO -0.05 0.73 0.00 -0.39 -0.73 0.00 0.00 179.01 178.57 2hfq h VAL 67 N 0.38 0.00 -0.72 0.32 -1.51 -1.90 -2.70 116.25 110.12 2hfq h VAL 67 Ca 0.05 -0.61 -0.03 0.00 -1.23 0.00 0.00 66.70 64.87 2hfq h VAL 67 Cb 0.77 1.57 -0.03 0.00 -2.13 0.00 0.00 31.29 31.47 2hfq h VAL 67 CO 0.06 0.00 0.33 0.40 -1.23 0.00 0.00 177.57 177.13 2hfq h ILE 68 N 0.00 1.23 -0.56 7.19 1.08 -1.39 -2.49 117.51 122.58 2hfq h ILE 68 Ca 0.00 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.79 2hfq h ILE 68 Cb 0.65 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 2hfq h ILE 68 CO 0.00 0.28 0.37 -0.08 -0.69 0.00 0.00 178.15 178.03 2hfq h GLU 69 N 1.03 0.74 -0.67 2.37 4.57 -1.56 -1.42 114.58 119.64 2hfq h GLU 69 Ca 0.25 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.32 2hfq h GLU 69 Cb 0.13 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 2hfq h GLU 69 CO -0.03 0.50 0.17 0.00 -1.18 0.00 0.00 179.01 178.47 2hfq h ALA 70 N 1.20 1.03 -0.04 2.92 0.00 -1.57 -1.17 119.26 121.63 2hfq h ALA 70 Ca 0.21 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2hfq h ALA 70 Cb -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2hfq h ALA 70 CO -0.04 0.64 -0.32 0.82 0.00 0.00 0.00 179.25 180.34 2hfq h ILE 71 N 1.01 1.24 0.34 0.00 2.04 -1.03 -0.28 117.51 120.83 2hfq h ILE 71 Ca 0.21 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 2hfq h ILE 71 Cb 0.34 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2hfq h ILE 71 CO -0.00 0.34 -0.16 0.11 0.00 0.00 0.00 178.15 178.43 2hfq h LYS 72 N 0.06 -0.44 0.02 2.37 1.57 -0.50 -1.34 116.57 118.31 2hfq h LYS 72 Ca 0.01 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2hfq h LYS 72 Cb 0.60 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2hfq h LYS 72 CO 0.04 -0.11 -0.01 1.96 -0.57 0.00 0.00 179.45 180.76 2hfq h GLN 73 N -0.84 -0.02 0.00 3.15 1.08 -1.09 -3.31 115.11 114.07 2hfq h GLN 73 Ca -0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2hfq h GLN 73 Cb 0.53 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2hfq h GLN 73 CO 0.08 0.45 -1.52 0.09 -0.95 0.00 0.00 178.83 176.98 2hfq n ASN 74 N -4.87 0.39 0.00 1.46 3.02 -0.13 -4.95 115.26 110.18 2hfq n ASN 74 Ca -0.08 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2hfq n ASN 74 Cb 0.25 1.30 0.00 0.00 -0.61 0.00 0.00 39.78 40.72 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 1.25 1.92 3.61 7.41 0.00 -0.50 -4.98 105.19 113.90 2hfq n GLY 75 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.33 -0.70 -0.30 1.61 1.13 -1.25 -4.64 117.35 110.87 2hfq s TYR 76 Ca 0.00 1.61 -0.08 0.00 -1.41 0.00 0.00 57.07 57.19 2hfq s TYR 76 Cb 0.00 0.32 -0.00 0.00 -1.10 0.00 0.00 41.96 41.18 2hfq s TYR 76 CO 0.00 -0.40 0.11 0.12 -2.51 0.00 0.00 175.55 172.87 2hfq s PHE 77 N -0.01 3.15 -0.45 -3.49 5.36 0.14 -4.56 117.98 118.12 2hfq s PHE 77 Ca -0.02 -0.72 -0.22 0.00 -0.96 0.00 0.00 56.93 55.01 2hfq s PHE 77 Cb -0.04 -2.30 0.03 0.00 -0.34 0.00 0.00 43.02 40.37 2hfq s PHE 77 CO 0.02 -0.49 0.72 0.42 -1.46 0.00 0.00 175.22 174.42 2hfq s ILE 78 N 1.57 4.73 -0.48 3.12 -1.09 -1.26 -0.32 121.20 127.47 2hfq s ILE 78 Ca 0.04 0.25 -0.18 0.00 -2.23 0.00 0.00 60.65 58.54 2hfq s ILE 78 Cb -0.17 -4.27 0.05 0.00 -1.58 0.00 0.00 42.46 36.49 2hfq s ILE 78 CO 0.04 -0.68 0.52 -0.47 -1.23 0.00 0.00 174.94 173.13 2hfq s TYR 79 N 3.07 3.13 -0.61 3.97 5.04 -0.01 -4.98 117.35 126.97 2hfq s TYR 79 Ca 0.26 -0.61 -0.26 0.00 -2.44 0.00 0.00 57.07 54.02 2hfq s TYR 79 Cb -0.13 -3.29 -0.04 0.00 0.35 0.00 0.00 41.96 38.85 2hfq s TYR 79 CO 0.21 -0.89 2.01 0.15 -1.34 0.00 0.00 175.55 175.68 2hfq s LYS 80 N 2.24 2.47 0.73 4.97 1.02 -1.26 -1.40 119.74 128.51 2hfq s LYS 80 Ca 0.11 0.74 -0.11 0.00 0.02 0.00 0.00 55.97 56.74 2hfq s LYS 80 Cb -0.20 -4.49 0.03 0.00 -0.52 0.00 0.00 37.83 32.65 2hfq s LYS 80 CO 0.11 -2.94 1.07 1.41 -0.92 0.00 0.00 175.35 174.08 2hfq s MET 81 N 7.37 2.62 0.09 1.68 -2.45 -1.26 -4.88 119.30 122.48 2hfq s MET 81 Ca 0.75 1.06 -0.36 0.00 -1.25 0.00 0.00 55.69 55.89 2hfq s MET 81 Cb -0.13 -1.95 -0.16 0.00 1.25 0.00 0.00 34.83 33.84 2hfq s MET 81 CO 0.20 -1.35 1.41 -0.85 1.05 0.00 0.00 175.02 175.48 2hfq n GLU 82 N -3.30 1.37 0.00 4.11 0.28 -1.26 -2.03 120.64 119.80 2hfq n GLU 82 Ca 0.08 0.50 0.00 0.00 -0.16 0.00 0.00 57.16 57.58 2hfq n GLU 82 Cb 0.53 -2.17 0.00 0.00 1.43 0.00 0.00 31.44 31.23 2hfq n GLU 82 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2hfq n GLY 83 N 2.77 2.41 3.89 -1.84 0.00 -1.26 -4.79 105.19 106.36 2hfq n GLY 83 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32