#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 3.13 -0.04 2.12 1.11 -1.26 -4.13 119.66 120.59 2hfq s GLN 2 Ca 0.00 -0.82 -0.30 0.00 0.01 0.00 0.00 55.36 54.25 2hfq s GLN 2 Cb 0.00 -3.31 -0.02 0.00 -1.01 0.00 0.00 33.01 28.67 2hfq s GLN 2 CO 0.00 -0.40 1.01 0.96 0.01 0.00 0.00 175.29 176.86 2hfq s ILE 3 N 1.49 4.78 -0.35 1.08 -4.36 -1.16 -4.61 121.20 118.07 2hfq s ILE 3 Ca 0.03 2.01 -0.19 0.00 -0.26 0.00 0.00 60.65 62.24 2hfq s ILE 3 Cb -0.17 -4.29 0.00 0.00 1.25 0.00 0.00 42.46 39.25 2hfq s ILE 3 CO 0.01 0.09 0.58 -1.00 0.24 0.00 0.00 174.94 174.87 2hfq s HIS 4 N 1.43 3.16 -0.40 1.37 3.76 0.46 -1.84 115.29 123.23 2hfq s HIS 4 Ca 0.51 0.27 -0.25 0.00 -0.15 0.00 0.00 55.06 55.44 2hfq s HIS 4 Cb -0.20 -3.04 0.02 0.00 1.11 0.00 0.00 32.58 30.46 2hfq s HIS 4 CO 0.24 -0.59 0.90 0.08 -0.85 0.00 0.00 174.74 174.52 2hfq s VAL 5 N 2.57 4.58 -0.22 -0.90 1.01 0.53 -2.47 120.40 125.49 2hfq s VAL 5 Ca 0.22 0.96 -0.04 0.00 0.00 0.00 0.00 61.98 63.11 2hfq s VAL 5 Cb -0.15 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 2hfq s VAL 5 CO 0.14 -0.63 -0.02 -0.31 0.00 0.00 0.00 175.10 174.28 2hfq s TYR 6 N 3.50 2.98 -0.57 5.22 2.02 -0.95 -0.08 117.35 129.46 2hfq s TYR 6 Ca 0.36 -0.79 -0.20 0.00 -0.37 0.00 0.00 57.07 56.07 2hfq s TYR 6 Cb -0.12 -2.12 0.08 0.00 -0.40 0.00 0.00 41.96 39.40 2hfq s TYR 6 CO 0.21 -0.47 0.75 0.34 -1.57 0.00 0.00 175.55 174.81 2hfq s ASP 7 N 1.41 6.21 -0.24 2.29 2.15 0.13 -0.83 116.67 127.79 2hfq s ASP 7 Ca 0.05 -1.06 -0.12 0.00 0.43 0.00 0.00 52.55 51.85 2hfq s ASP 7 Cb -0.14 -2.33 -0.05 0.00 -0.30 0.00 0.00 42.92 40.10 2hfq s ASP 7 CO -0.01 -1.12 0.24 -0.89 -0.17 0.00 0.00 175.17 173.22 2hfq s THR 8 N 3.07 5.29 -1.03 1.71 2.01 -1.18 -0.92 115.64 124.60 2hfq s THR 8 Ca 0.17 0.34 -0.16 0.00 0.31 0.00 0.00 61.69 62.35 2hfq s THR 8 Cb -0.20 -3.58 0.16 0.00 0.01 0.00 0.00 72.50 68.90 2hfq s THR 8 CO 0.10 0.28 1.19 -0.31 -0.69 0.00 0.00 174.62 175.20 2hfq s TYR 9 N 1.37 3.39 -0.53 4.92 2.02 0.75 -3.84 117.35 125.42 2hfq s TYR 9 Ca 0.11 -1.79 -0.17 0.00 -0.37 0.00 0.00 57.07 54.84 2hfq s TYR 9 Cb -0.14 -4.22 0.09 0.00 -0.40 0.00 0.00 41.96 37.29 2hfq s TYR 9 CO 0.07 -1.37 0.56 0.08 -1.57 0.00 0.00 175.55 173.32 2hfq s VAL 10 N 1.80 5.03 -0.91 0.71 1.01 -0.97 -4.87 120.40 122.20 2hfq s VAL 10 Ca 0.34 -1.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 2hfq s VAL 10 Cb -0.05 -4.33 0.03 0.00 0.00 0.00 0.00 36.38 32.03 2hfq s VAL 10 CO -0.06 -0.87 1.47 -0.54 0.00 0.00 0.00 175.10 175.10 2hfq s LYS 11 N 2.15 3.33 0.59 2.72 3.01 -1.26 -0.06 119.74 130.21 2hfq s LYS 11 Ca 0.08 -0.71 -0.19 0.00 -1.01 0.00 0.00 55.97 54.15 2hfq s LYS 11 Cb -0.25 -4.95 -0.04 0.00 -1.01 0.00 0.00 37.83 31.58 2hfq s LYS 11 CO 0.07 -2.34 1.18 0.00 0.51 0.00 0.00 175.35 174.78 2hfq s ALA 12 N 5.90 2.56 -1.24 5.17 0.00 -1.04 -4.82 121.76 128.30 2hfq s ALA 12 Ca 0.46 0.94 0.08 0.00 0.00 0.00 0.00 51.96 53.44 2hfq s ALA 12 Cb -0.04 -3.43 0.35 0.00 0.00 0.00 0.00 23.12 20.01 2hfq s ALA 12 CO -0.01 -1.10 1.17 0.36 0.00 0.00 0.00 175.76 176.18 2hfq n LYS 13 N -1.60 0.06 0.05 0.00 2.85 -1.26 -0.66 118.16 117.60 2hfq n LYS 13 Ca 0.13 0.29 -0.00 0.00 -1.05 0.00 0.00 58.31 57.67 2hfq n LYS 13 Cb 0.50 -1.50 0.30 0.00 -0.65 0.00 0.00 35.03 33.68 2hfq n LYS 13 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2hfq h ASP 14 N 0.00 0.39 0.00 -5.58 1.82 -2.00 -3.47 116.42 107.58 2hfq h ASP 14 Ca 0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 2hfq h ASP 14 Cb 0.10 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.00 2hfq h ASP 14 CO 0.00 0.55 0.00 0.61 -1.61 0.00 0.00 179.24 178.79 2hfq n GLY 15 N -0.72 3.92 3.83 -0.78 0.00 0.17 -5.11 105.19 106.49 2hfq n GLY 15 Ca 0.00 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 3.41 -0.45 1.61 -3.43 -1.26 -4.80 115.29 110.37 2hfq s HIS 16 Ca 0.00 1.45 -0.27 0.00 -0.80 0.00 0.00 55.06 55.45 2hfq s HIS 16 Cb 0.00 -2.71 0.03 0.00 -1.43 0.00 0.00 32.58 28.47 2hfq s HIS 16 CO 0.00 0.05 1.00 0.08 -2.00 0.00 0.00 174.74 173.87 2hfq s VAL 17 N -1.97 4.40 -0.24 -5.38 1.01 -1.26 -2.48 120.40 114.47 2hfq s VAL 17 Ca 0.56 0.97 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 2hfq s VAL 17 Cb -0.11 -4.48 0.01 0.00 0.00 0.00 0.00 36.38 31.80 2hfq s VAL 17 CO 0.17 -0.86 1.03 -0.32 0.00 0.00 0.00 175.10 175.12 2hfq s MET 18 N 3.96 4.24 -0.18 2.72 1.75 0.92 -4.90 119.30 127.81 2hfq s MET 18 Ca 0.41 1.32 -0.04 0.00 -1.25 0.00 0.00 55.69 56.13 2hfq s MET 18 Cb -0.09 -3.65 -0.02 0.00 2.84 0.00 0.00 34.83 33.90 2hfq s MET 18 CO 0.27 -0.65 -0.03 -1.01 -0.65 0.00 0.00 175.02 172.95 2hfq s HIS 19 N 3.23 3.00 -0.03 4.11 3.76 0.17 -2.29 115.29 127.24 2hfq s HIS 19 Ca 0.44 -0.46 -0.10 0.00 -0.15 0.00 0.00 55.06 54.79 2hfq s HIS 19 Cb -0.15 -2.01 0.01 0.00 1.11 0.00 0.00 32.58 31.55 2hfq s HIS 19 CO 0.07 -0.18 0.22 -0.59 -0.85 0.00 0.00 174.74 173.40 2hfq s PHE 20 N 0.72 -0.12 -0.34 1.40 -0.71 -1.25 0.09 117.98 117.78 2hfq s PHE 20 Ca -0.02 0.22 -0.25 0.00 -1.04 0.00 0.00 56.93 55.85 2hfq s PHE 20 Cb -0.14 0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.71 2hfq s PHE 20 CO 0.02 -0.27 0.89 -0.51 -1.34 0.00 0.00 175.22 174.01 2hfq s ASP 21 N -0.90 6.71 -0.67 1.98 1.01 0.15 -3.07 116.67 121.88 2hfq s ASP 21 Ca -0.10 0.68 -0.20 0.00 0.71 0.00 0.00 52.55 53.64 2hfq s ASP 21 Cb -0.05 -2.45 0.10 0.00 1.01 0.00 0.00 42.92 41.53 2hfq s ASP 21 CO 0.02 -0.76 0.86 -0.69 0.21 0.00 0.00 175.17 174.81 2hfq s VAL 22 N 3.28 4.64 -0.35 -1.27 1.01 -0.01 -1.38 120.40 126.32 2hfq s VAL 22 Ca 0.37 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 2hfq s VAL 22 Cb -0.13 -4.60 0.01 0.00 0.00 0.00 0.00 36.38 31.66 2hfq s VAL 22 CO 0.16 -1.30 0.90 -0.36 0.00 0.00 0.00 175.10 174.49 2hfq s PHE 23 N 3.13 3.11 0.15 5.22 0.08 -0.26 -2.25 117.98 127.16 2hfq s PHE 23 Ca 0.18 0.78 0.11 0.00 0.12 0.00 0.00 56.93 58.12 2hfq s PHE 23 Cb -0.19 -3.55 -0.04 0.00 -0.57 0.00 0.00 43.02 38.68 2hfq s PHE 23 CO 0.05 -0.77 -0.26 0.95 -0.10 0.00 0.00 175.22 175.10 2hfq s THR 24 N 3.35 2.26 -0.15 0.64 -4.23 -1.03 -0.67 115.64 115.81 2hfq s THR 24 Ca 0.37 -1.84 -0.10 0.00 -1.18 0.00 0.00 61.69 58.94 2hfq s THR 24 Cb -0.12 -2.02 -0.24 0.00 1.34 0.00 0.00 72.50 71.45 2hfq s THR 24 CO 0.17 0.02 0.30 -0.67 -0.54 0.00 0.00 174.62 173.90 2hfq n ASP 25 N 0.71 2.06 -4.77 3.99 2.03 -1.26 -0.40 116.55 118.91 2hfq n ASP 25 Ca -0.16 0.25 -0.41 0.00 0.52 0.00 0.00 54.79 54.99 2hfq n ASP 25 Cb 0.54 -0.88 -0.02 0.00 -0.72 0.00 0.00 41.12 40.05 2hfq n ASP 25 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2hfq s VAL 26 N -2.51 2.52 -0.25 5.18 0.11 -1.26 -4.82 120.40 119.37 2hfq s VAL 26 Ca -0.25 0.50 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 2hfq s VAL 26 Cb 0.07 -3.32 0.22 0.00 -1.53 0.00 0.00 36.38 31.82 2hfq s VAL 26 CO 0.72 0.11 1.79 -2.11 -3.33 0.00 0.00 175.10 172.28 2hfq n ARG 27 N 1.10 1.64 -4.73 1.54 1.85 -1.26 -4.85 116.66 111.94 2hfq n ARG 27 Ca 0.02 -1.32 -0.33 0.00 -1.00 0.00 0.00 57.85 55.22 2hfq n ARG 27 Cb 0.41 -1.52 -0.13 0.00 -1.05 0.00 0.00 32.46 30.16 2hfq n ARG 27 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2hfq s ASP 28 N 0.28 4.22 0.06 2.89 -1.08 -1.26 -5.02 116.67 116.76 2hfq s ASP 28 Ca 0.26 -0.23 0.10 0.00 -0.52 0.00 0.00 52.55 52.16 2hfq s ASP 28 Cb 0.21 -1.41 -0.20 0.00 -1.46 0.00 0.00 42.92 40.06 2hfq s ASP 28 CO 0.01 0.23 1.01 -2.24 0.52 0.00 0.00 175.17 174.70 2hfq h ASP 29 N 6.21 0.00 0.08 -0.34 2.03 -2.00 -3.22 116.42 119.18 2hfq h ASP 29 Ca -0.34 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.77 2hfq h ASP 29 Cb 1.19 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.71 2hfq h ASP 29 CO 0.55 0.95 -0.77 0.50 -1.03 0.00 0.00 179.24 179.44 2hfq h LYS 30 N 0.00 0.38 -0.16 4.15 3.64 -2.00 -2.93 116.57 119.65 2hfq h LYS 30 Ca -0.13 -0.52 -0.02 0.00 -1.27 0.00 0.00 60.65 58.71 2hfq h LYS 30 Cb 1.84 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.82 2hfq h LYS 30 CO 0.10 1.20 0.01 -0.22 -2.27 0.00 0.00 179.45 178.27 2hfq h LYS 31 N -0.20 0.22 -0.25 1.90 3.64 -2.00 0.11 116.57 120.00 2hfq h LYS 31 Ca -0.12 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.15 2hfq h LYS 31 Cb 1.53 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 2hfq h LYS 31 CO 0.15 0.23 -0.22 0.00 -2.27 0.00 0.00 179.45 177.34 2hfq h ALA 32 N 1.80 1.16 -0.38 5.00 0.00 -1.56 -2.50 119.26 122.78 2hfq h ALA 32 Ca 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2hfq h ALA 32 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2hfq h ALA 32 CO 0.00 0.53 0.15 0.82 0.00 0.00 0.00 179.25 180.75 2hfq h ILE 33 N 0.41 1.19 -0.90 0.00 2.04 -0.80 -2.31 117.51 117.15 2hfq h ILE 33 Ca 0.07 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.41 2hfq h ILE 33 Cb 0.61 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.50 2hfq h ILE 33 CO 0.04 0.22 0.55 -0.33 0.00 0.00 0.00 178.15 178.63 2hfq h GLU 34 N 0.47 0.91 -0.37 2.37 3.07 -1.17 -0.09 114.58 119.78 2hfq h GLU 34 Ca 0.13 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.95 2hfq h GLU 34 Cb 0.19 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 2hfq h GLU 34 CO -0.01 0.60 0.20 0.74 -1.40 0.00 0.00 179.01 179.14 2hfq h PHE 35 N 0.93 0.38 -0.57 4.33 0.04 -1.05 0.05 116.94 121.06 2hfq h PHE 35 Ca 0.42 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 61.15 2hfq h PHE 35 Cb 0.33 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 2hfq h PHE 35 CO -0.03 0.22 0.14 0.00 -0.60 0.00 0.00 178.31 178.03 2hfq h ALA 36 N 1.17 0.75 -0.40 2.45 0.00 -0.83 -2.69 119.26 119.71 2hfq h ALA 36 Ca 0.15 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2hfq h ALA 36 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2hfq h ALA 36 CO -0.08 0.45 -0.07 0.87 0.00 0.00 0.00 179.25 180.42 2hfq h LYS 37 N 0.82 0.68 -0.68 0.00 1.57 -0.65 -1.10 116.57 117.20 2hfq h LYS 37 Ca 0.18 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2hfq h LYS 37 Cb 0.35 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2hfq h LYS 37 CO 0.00 0.75 0.33 1.96 -0.57 0.00 0.00 179.45 181.92 2hfq h GLN 38 N 0.63 0.98 -0.44 3.15 4.20 -0.80 -1.29 115.11 121.54 2hfq h GLN 38 Ca 0.12 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 2hfq h GLN 38 Cb 0.50 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2hfq h GLN 38 CO 0.03 0.78 -0.22 2.35 -0.67 0.00 0.00 178.83 181.09 2hfq h TRP 39 N 0.95 1.04 -0.95 2.96 7.01 -1.13 -2.14 115.95 123.68 2hfq h TRP 39 Ca 0.23 -0.25 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2hfq h TRP 39 Cb 0.12 -0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 26.89 2hfq h TRP 39 CO 0.00 1.04 0.61 -0.07 -2.79 0.00 0.00 178.44 177.23 2hfq h LEU 40 N 0.78 1.11 -1.27 0.65 3.38 -0.91 -1.12 115.31 117.93 2hfq h LEU 40 Ca 0.10 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2hfq h LEU 40 Cb 0.78 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2hfq h LEU 40 CO 0.06 0.82 0.05 0.28 0.09 0.00 0.00 178.44 179.74 2hfq h SER 41 N 1.29 0.51 -0.16 -0.43 0.02 -0.95 0.29 113.55 114.12 2hfq h SER 41 Ca 0.35 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 2hfq h SER 41 Cb -0.12 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 2hfq h SER 41 CO -0.07 0.54 -0.01 0.28 -1.14 0.00 0.00 176.83 176.43 2hfq h SER 42 N 0.53 0.29 1.48 3.07 0.02 -0.58 -3.20 113.55 115.16 2hfq h SER 42 Ca 0.12 -0.33 -0.10 0.00 -0.84 0.00 0.00 61.79 60.64 2hfq h SER 42 Cb 0.27 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2hfq h SER 42 CO 0.00 0.55 -0.49 0.16 -1.14 0.00 0.00 176.83 175.92 2hfq h ILE 43 N 0.02 0.85 0.00 3.27 3.07 -1.17 -3.48 117.51 120.07 2hfq h ILE 43 Ca 0.04 -2.17 0.00 0.00 1.55 0.00 0.00 64.86 64.28 2hfq h ILE 43 Cb 0.41 2.40 0.00 0.00 -0.27 0.00 0.00 36.82 39.36 2hfq h ILE 43 CO 0.01 0.48 0.00 0.61 -1.05 0.00 0.00 178.15 178.20 2hfq n GLY 44 N 1.19 1.12 1.03 0.16 0.00 -0.00 -5.02 105.19 103.65 2hfq n GLY 44 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 2hfq n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2hfq n GLU 45 N -0.11 0.98 -2.36 1.61 4.07 0.81 -4.96 120.64 120.66 2hfq n GLU 45 Ca 0.00 -2.79 -0.36 0.00 -0.06 0.00 0.00 57.16 53.95 2hfq n GLU 45 Cb 0.00 -0.97 -0.03 0.00 -0.06 0.00 0.00 31.44 30.38 2hfq n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2hfq s GLU 46 N -1.92 3.30 0.00 5.31 2.12 -1.20 -3.83 118.70 122.48 2hfq s GLU 46 Ca 0.36 -1.33 0.00 0.00 0.36 0.00 0.00 54.97 54.37 2hfq s GLU 46 Cb 0.38 -5.35 0.00 0.00 0.26 0.00 0.00 34.13 29.42 2hfq s GLU 46 CO -0.11 -2.86 0.00 0.41 -0.54 0.00 0.00 175.26 172.16 2hfq n GLY 47 N 6.06 -0.16 3.66 -1.50 0.00 -1.26 -5.03 105.19 106.96 2hfq n GLY 47 Ca 0.43 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 2hfq n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hfq n ALA 48 N -2.11 1.59 -2.32 4.61 0.00 -1.25 -4.89 120.51 116.14 2hfq n ALA 48 Ca 0.00 0.20 -0.37 0.00 0.00 0.00 0.00 53.44 53.27 2hfq n ALA 48 Cb 0.00 -2.69 -0.04 0.00 0.00 0.00 0.00 19.45 16.72 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 4.59 3.64 -0.09 0.00 2.01 -1.26 -4.95 115.64 119.58 2hfq s THR 49 Ca 0.89 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.40 2hfq s THR 49 Cb -0.43 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 67.51 2hfq s THR 49 CO 0.42 -1.45 1.49 -0.69 -0.69 0.00 0.00 174.62 173.69 2hfq s VAL 50 N 7.33 3.84 0.00 3.82 1.01 -1.26 -4.84 120.40 130.30 2hfq s VAL 50 Ca 0.54 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2hfq s VAL 50 Cb -0.06 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2hfq s VAL 50 CO 0.04 -0.08 0.00 1.07 0.00 0.00 0.00 175.10 176.13 2hfq n THR 51 N 5.34 0.00 -0.33 3.92 5.66 -1.26 -4.98 114.28 122.63 2hfq n THR 51 Ca 0.16 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.26 2hfq n THR 51 Cb 0.44 0.00 0.28 0.00 -1.55 0.00 0.00 70.33 69.50 2hfq n THR 51 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2hfq h SER 52 N 0.00 0.65 0.89 1.09 0.02 -1.93 0.15 113.55 114.43 2hfq h SER 52 Ca 0.00 0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 2hfq h SER 52 Cb 0.00 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2hfq h SER 52 CO 0.00 0.23 -0.50 -0.08 -1.14 0.00 0.00 176.83 175.34 2hfq h GLU 53 N 0.68 0.00 0.03 3.45 4.81 -1.96 -3.32 114.58 118.28 2hfq h GLU 53 Ca 0.53 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.61 2hfq h GLU 53 Cb 0.82 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 2hfq h GLU 53 CO -0.39 0.50 -0.84 0.93 -0.73 0.00 0.00 179.01 178.48 2hfq h GLU 54 N 0.00 0.07 -4.60 1.92 4.39 -1.45 -3.42 114.58 111.50 2hfq h GLU 54 Ca -0.01 -0.12 -0.72 0.00 0.34 0.00 0.00 59.36 58.85 2hfq h GLU 54 Cb 1.08 0.05 -0.21 0.00 -0.10 0.00 0.00 28.75 29.57 2hfq h GLU 54 CO 0.07 1.06 0.44 0.00 -1.16 0.00 0.00 179.01 179.41 2hfq s ARG 56 N 1.96 4.25 -0.00 0.00 6.06 -0.10 -4.72 118.95 126.40 2hfq s ARG 56 Ca 0.23 0.55 -0.30 0.00 -2.50 0.00 0.00 55.73 53.71 2hfq s ARG 56 Cb -0.11 -3.53 -0.05 0.00 0.06 0.00 0.00 34.95 31.31 2hfq s ARG 56 CO -0.05 -0.11 1.33 0.12 -2.50 0.00 0.00 175.30 174.09 2hfq s PHE 57 N 1.48 3.03 0.00 5.12 5.36 -1.26 0.21 117.98 131.91 2hfq s PHE 57 Ca 0.28 0.98 0.00 0.00 -0.96 0.00 0.00 56.93 57.23 2hfq s PHE 57 Cb -0.16 -3.58 0.00 0.00 -0.34 0.00 0.00 43.02 38.95 2hfq s PHE 57 CO 0.11 -2.02 0.00 0.00 -1.46 0.00 0.00 175.22 171.85 2hfq s HIS 59 N -0.66 1.45 -0.27 0.00 3.76 -1.21 -4.99 115.29 113.37 2hfq s HIS 59 Ca 0.00 -1.50 0.02 0.00 -0.15 0.00 0.00 55.06 53.43 2hfq s HIS 59 Cb 0.00 -0.53 0.07 0.00 1.11 0.00 0.00 32.58 33.23 2hfq s HIS 59 CO 0.00 -0.87 -0.04 -1.12 -0.85 0.00 0.00 174.74 171.86 2hfq s SER 60 N -3.29 4.22 0.32 1.40 0.01 -1.26 -0.35 113.70 114.75 2hfq s SER 60 Ca 0.38 -1.47 0.10 0.00 1.31 0.00 0.00 55.95 56.26 2hfq s SER 60 Cb 0.03 -1.35 -0.06 0.00 0.21 0.00 0.00 66.02 64.85 2hfq s SER 60 CO 0.22 -0.27 -0.07 -0.70 0.41 0.00 0.00 173.24 172.84 2hfq s GLU 61 N 1.23 1.92 0.24 12.44 2.56 -0.77 -4.94 118.70 131.38 2hfq s GLU 61 Ca -0.02 -1.79 -0.31 0.00 0.00 0.00 0.00 54.97 52.85 2hfq s GLU 61 Cb -0.19 -1.84 -0.12 0.00 2.00 0.00 0.00 34.13 33.98 2hfq s GLU 61 CO -0.08 0.20 1.66 0.36 -0.56 0.00 0.00 175.26 176.84 2hfq n LYS 62 N -0.82 2.69 -3.06 4.30 2.85 -1.26 -2.96 118.16 119.90 2hfq n LYS 62 Ca -0.05 0.97 -0.41 0.00 -1.05 0.00 0.00 58.31 57.77 2hfq n LYS 62 Cb 0.62 -2.78 -0.06 0.00 -0.65 0.00 0.00 35.03 32.16 2hfq n LYS 62 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2hfq s ALA 63 N 0.64 3.62 0.55 0.58 0.00 -1.26 -4.86 121.76 121.02 2hfq s ALA 63 Ca 0.71 -0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.09 2hfq s ALA 63 Cb -0.51 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 2hfq s ALA 63 CO 0.40 -0.83 1.33 -2.14 0.00 0.00 0.00 175.76 174.51 2hfq s PRO 64 N 2.57 3.14 0.31 0.00 0.02 -1.26 -4.92 135.00 134.87 2hfq s PRO 64 Ca 0.28 2.16 0.05 0.00 0.02 0.00 0.00 61.00 63.50 2hfq s PRO 64 Cb -0.15 -2.22 0.67 0.00 0.02 0.00 0.00 34.50 32.81 2hfq s PRO 64 CO 0.08 -1.16 1.85 0.22 -0.33 0.00 0.00 177.00 177.66 2hfq h ASP 65 N 1.41 0.81 -0.09 2.53 1.82 -2.02 -2.38 116.42 118.51 2hfq h ASP 65 Ca -0.51 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.18 2hfq h ASP 65 Cb 1.30 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 41.19 2hfq h ASP 65 CO 0.57 0.42 0.04 -0.08 -1.61 0.00 0.00 179.24 178.58 2hfq h GLU 66 N 0.87 0.13 0.00 0.28 4.57 -2.03 -2.99 114.58 115.40 2hfq h GLU 66 Ca 0.48 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 2hfq h GLU 66 Cb 0.59 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2hfq h GLU 66 CO -0.24 0.23 0.00 -0.39 -1.18 0.00 0.00 179.01 177.42 2hfq h VAL 67 N 0.01 0.00 0.35 0.32 -1.51 -1.81 -3.11 116.25 110.50 2hfq h VAL 67 Ca 0.03 -0.41 -0.00 0.00 -1.23 0.00 0.00 66.70 65.09 2hfq h VAL 67 Cb 0.14 1.29 -0.03 0.00 -2.13 0.00 0.00 31.29 30.56 2hfq h VAL 67 CO -0.00 0.00 -0.50 0.40 -1.23 0.00 0.00 177.57 176.23 2hfq h ILE 68 N 0.00 0.00 -0.18 7.19 1.08 -1.37 0.51 117.51 124.74 2hfq h ILE 68 Ca 0.00 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.31 2hfq h ILE 68 Cb 0.47 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 2hfq h ILE 68 CO 0.00 0.00 -0.54 -0.33 -0.69 0.00 0.00 178.15 176.59 2hfq h GLU 69 N -0.89 0.52 -0.43 2.37 5.08 -1.70 -2.65 114.58 116.89 2hfq h GLU 69 Ca -0.04 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2hfq h GLU 69 Cb 0.81 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2hfq h GLU 69 CO -0.15 0.93 0.27 0.00 -1.00 0.00 0.00 179.01 179.06 2hfq h ALA 70 N 1.00 0.55 -0.38 3.43 0.00 -1.45 -1.81 119.26 120.60 2hfq h ALA 70 Ca 0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2hfq h ALA 70 Cb 1.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2hfq h ALA 70 CO 0.10 0.03 -0.21 0.82 0.00 0.00 0.00 179.25 179.98 2hfq h ILE 71 N 0.57 1.27 -0.42 0.00 2.04 -0.86 -2.80 117.51 117.31 2hfq h ILE 71 Ca 0.16 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 2hfq h ILE 71 Cb -0.02 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2hfq h ILE 71 CO -0.03 0.43 0.17 0.11 0.00 0.00 0.00 178.15 178.83 2hfq h LYS 72 N 0.64 0.59 -0.12 2.37 1.57 -1.07 0.81 116.57 121.36 2hfq h LYS 72 Ca 0.09 -0.08 -0.22 0.00 -1.87 0.00 0.00 60.65 58.57 2hfq h LYS 72 Cb 0.71 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.92 2hfq h LYS 72 CO 0.05 0.49 -0.79 1.96 -0.57 0.00 0.00 179.45 180.59 2hfq h GLN 73 N 0.59 0.75 0.00 3.15 1.08 -1.09 -3.37 115.11 116.21 2hfq h GLN 73 Ca 0.15 -0.65 -0.08 0.00 -1.45 0.00 0.00 58.65 56.62 2hfq h GLN 73 Cb 0.12 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2hfq h GLN 73 CO -0.01 1.25 -1.59 0.09 -0.95 0.00 0.00 178.83 177.61 2hfq n ASN 74 N -3.96 2.50 0.00 1.46 3.02 -1.11 -4.99 115.26 112.18 2hfq n ASN 74 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2hfq n ASN 74 Cb 0.75 1.16 0.00 0.00 -0.61 0.00 0.00 39.78 41.08 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 2.10 0.20 3.78 7.41 0.00 0.28 -5.04 105.19 113.92 2hfq n GLY 75 Ca -0.09 0.00 -0.08 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 -2.00 -0.16 -0.05 1.61 1.13 -1.18 -4.27 117.35 112.42 2hfq s TYR 76 Ca 0.00 -0.26 -0.01 0.00 -1.41 0.00 0.00 57.07 55.39 2hfq s TYR 76 Cb 0.00 0.63 0.03 0.00 -1.10 0.00 0.00 41.96 41.51 2hfq s TYR 76 CO 0.00 -1.16 0.00 0.12 -2.51 0.00 0.00 175.55 172.00 2hfq s PHE 77 N -3.91 0.50 -0.46 -3.49 5.36 0.16 -4.07 117.98 112.06 2hfq s PHE 77 Ca 0.11 -0.07 -0.18 0.00 -0.96 0.00 0.00 56.93 55.84 2hfq s PHE 77 Cb -0.05 -0.63 0.04 0.00 -0.34 0.00 0.00 43.02 42.05 2hfq s PHE 77 CO 0.05 -0.24 0.51 0.42 -1.46 0.00 0.00 175.22 174.50 2hfq s ILE 78 N 1.59 5.03 -0.27 3.12 -1.09 -1.26 -1.10 121.20 127.20 2hfq s ILE 78 Ca -0.01 -0.52 -0.08 0.00 -2.23 0.00 0.00 60.65 57.81 2hfq s ILE 78 Cb -0.13 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.57 2hfq s ILE 78 CO -0.03 -0.60 0.10 -0.47 -1.23 0.00 0.00 174.94 172.70 2hfq s TYR 79 N 2.25 3.12 -0.91 3.97 5.04 -0.48 -4.98 117.35 125.37 2hfq s TYR 79 Ca 0.12 -0.54 -0.24 0.00 -2.44 0.00 0.00 57.07 53.97 2hfq s TYR 79 Cb -0.19 -2.28 0.01 0.00 0.35 0.00 0.00 41.96 39.85 2hfq s TYR 79 CO 0.12 -0.42 1.61 0.15 -1.34 0.00 0.00 175.55 175.67 2hfq s LYS 80 N 1.60 3.15 0.04 4.97 1.02 -1.26 0.31 119.74 129.57 2hfq s LYS 80 Ca 0.05 -0.61 -0.25 0.00 0.02 0.00 0.00 55.97 55.19 2hfq s LYS 80 Cb -0.16 -5.03 -0.17 0.00 -0.52 0.00 0.00 37.83 31.95 2hfq s LYS 80 CO 0.04 -2.59 1.53 1.98 -0.92 0.00 0.00 175.35 175.39 2hfq h MET 81 N 10.70 -0.08 -1.48 1.68 1.85 -1.86 -3.41 114.93 122.33 2hfq h MET 81 Ca 0.07 0.01 -0.35 0.00 -0.61 0.00 0.00 59.70 58.81 2hfq h MET 81 Cb 1.03 0.02 -0.26 0.00 0.43 0.00 0.00 31.60 32.82 2hfq h MET 81 CO 1.33 0.12 -0.71 -1.91 -0.40 0.00 0.00 176.91 175.33 2hfq n GLU 82 N -5.04 0.44 -2.10 0.39 2.13 0.11 -4.94 120.64 111.63 2hfq n GLU 82 Ca -0.08 -2.51 -0.04 0.00 0.66 0.00 0.00 57.16 55.19 2hfq n GLU 82 Cb 0.14 -1.53 0.06 0.00 0.27 0.00 0.00 31.44 30.39 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 2.68 1.52 0.37 8.31 0.00 -1.24 -0.65 105.19 116.18 2hfq n GLY 83 Ca 0.22 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.17 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32