#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfx s GLN 2 N 0.00 3.75 0.46 1.64 2.00 -1.26 -0.91 119.66 125.34 1hfx s GLN 2 Ca 0.00 0.04 0.04 0.00 -2.00 0.00 0.00 55.36 53.44 1hfx s GLN 2 Cb 0.00 -3.77 0.01 0.00 0.80 0.00 0.00 33.01 30.05 1hfx s GLN 2 CO 0.00 -0.60 0.64 -0.51 -0.50 0.00 0.00 175.29 174.32 1hfx s LEU 3 N 2.48 3.58 0.29 3.68 1.43 0.67 -5.00 118.68 125.80 1hfx s LEU 3 Ca 0.21 -0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.28 1hfx s LEU 3 Cb -0.15 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 1hfx s LEU 3 CO 0.13 -0.83 0.09 0.42 0.23 0.00 0.00 176.35 176.39 1hfx s THR 4 N -2.50 3.53 0.20 5.49 -4.23 -1.26 -4.82 115.64 112.06 1hfx s THR 4 Ca 0.53 -1.73 -0.10 0.00 -1.18 0.00 0.00 61.69 59.21 1hfx s THR 4 Cb -0.10 -3.01 0.13 0.00 1.34 0.00 0.00 72.50 70.87 1hfx s THR 4 CO 0.35 -0.31 1.75 0.50 -0.54 0.00 0.00 174.62 176.37 1hfx h LYS 5 N 1.69 0.40 -0.50 3.99 3.64 -1.98 -0.83 116.57 122.97 1hfx h LYS 5 Ca -0.45 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 1hfx h LYS 5 Cb 1.25 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1hfx h LYS 5 CO 0.61 0.26 0.07 0.00 -2.27 0.00 0.00 179.45 178.13 1hfx h ALA 7 N 0.97 0.60 -0.52 0.00 0.00 -1.91 -3.03 119.26 115.36 1hfx h ALA 7 Ca 0.15 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1hfx h ALA 7 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1hfx h ALA 7 CO 0.01 0.69 0.10 1.25 0.00 0.00 0.00 179.25 181.31 1hfx h LEU 8 N 0.48 0.81 -1.73 0.00 5.85 -1.04 -1.46 115.31 118.22 1hfx h LEU 8 Ca 0.00 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.52 1hfx h LEU 8 Cb 1.16 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1hfx h LEU 8 CO 0.12 0.85 0.27 0.77 -0.34 0.00 0.00 178.44 180.10 1hfx h SER 9 N 0.73 0.30 -0.09 1.25 4.64 -0.79 -0.84 113.55 118.76 1hfx h SER 9 Ca 0.16 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 1hfx h SER 9 Cb 0.37 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1hfx h SER 9 CO 0.01 0.20 -0.38 0.45 -0.87 0.00 0.00 176.83 176.24 1hfx h HIS 10 N 0.35 0.55 0.00 4.77 3.86 -1.29 -3.26 115.15 120.12 1hfx h HIS 10 Ca 0.17 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1hfx h HIS 10 Cb 0.24 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1hfx h HIS 10 CO -0.00 0.99 0.00 0.93 0.86 0.00 0.00 177.93 180.71 1hfx h GLU 11 N -0.04 0.00 -0.69 2.45 5.08 -0.44 -2.78 114.58 118.16 1hfx h GLU 11 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1hfx h GLU 11 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1hfx h GLU 11 CO 0.08 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.37 1hfx n LEU 12 N -2.51 3.88 -0.25 1.33 4.32 -0.40 -4.59 117.00 118.78 1hfx n LEU 12 Ca 0.02 -1.94 0.20 0.00 -0.02 0.00 0.00 56.01 54.27 1hfx n LEU 12 Cb 0.26 -0.48 0.53 0.00 -1.62 0.00 0.00 43.42 42.10 1hfx n LEU 12 CO 0.22 0.90 1.23 -0.55 -1.22 0.00 0.00 177.39 177.97 1hfx h ASN 13 N 4.04 0.38 0.40 -1.43 7.08 -1.57 0.21 115.58 124.68 1hfx h ASN 13 Ca 0.00 0.04 0.00 0.00 -3.08 0.00 0.00 56.30 53.26 1hfx h ASN 13 Cb 1.02 -0.02 0.00 0.00 -2.08 0.00 0.00 38.32 37.23 1hfx h ASN 13 CO 0.04 0.14 -0.35 -0.67 -2.08 0.00 0.00 177.43 174.51 1hfx n ASP 14 N -4.50 0.69 -0.03 6.14 2.03 -1.26 -4.03 116.55 115.59 1hfx n ASP 14 Ca 0.20 -0.51 -0.21 0.00 0.52 0.00 0.00 54.79 54.79 1hfx n ASP 14 Cb 0.75 0.15 -0.13 0.00 -0.72 0.00 0.00 41.12 41.16 1hfx n ASP 14 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1hfx n LEU 15 N -1.11 2.58 -4.62 -2.67 7.94 -0.01 -4.82 117.00 114.29 1hfx n LEU 15 Ca 0.09 0.19 -0.49 0.00 -1.11 0.00 0.00 56.01 54.69 1hfx n LEU 15 Cb 0.34 -1.07 -0.05 0.00 0.53 0.00 0.00 43.42 43.17 1hfx n LEU 15 CO 0.30 0.79 0.96 0.00 -1.11 0.00 0.00 177.39 178.34 1hfx n ALA 16 N -3.12 -0.07 0.00 1.96 0.00 -0.79 -1.59 120.51 116.90 1hfx n ALA 16 Ca -0.35 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1hfx n ALA 16 Cb 0.99 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1hfx n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hfx n GLY 17 N 2.64 3.30 3.71 0.00 0.00 0.49 -4.94 105.19 110.38 1hfx n GLY 17 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1hfx n GLY 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hfx s TYR 18 N -2.79 3.05 -1.50 1.61 5.04 -0.62 -1.62 117.35 120.52 1hfx s TYR 18 Ca 0.00 0.77 -0.00 0.00 -2.44 0.00 0.00 57.07 55.40 1hfx s TYR 18 Cb 0.00 -3.78 0.00 0.00 0.35 0.00 0.00 41.96 38.53 1hfx s TYR 18 CO 0.00 -2.84 0.02 0.54 -1.34 0.00 0.00 175.55 171.93 1hfx n ARG 19 N 4.32 -2.01 -2.03 4.97 5.12 -1.26 -2.34 116.66 123.44 1hfx n ARG 19 Ca 0.13 0.84 -0.20 0.00 -1.93 0.00 0.00 57.85 56.69 1hfx n ARG 19 Cb 0.41 -5.49 -0.04 0.00 -1.16 0.00 0.00 32.46 26.17 1hfx n ARG 19 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1hfx n ASP 20 N -1.95 -5.50 -4.59 0.55 8.00 -0.64 -4.97 116.55 107.45 1hfx n ASP 20 Ca -0.20 0.23 -0.40 0.00 0.71 0.00 0.00 54.79 55.13 1hfx n ASP 20 Cb 0.66 -4.71 -0.09 0.00 -0.02 0.00 0.00 41.12 36.95 1hfx n ASP 20 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1hfx s ILE 21 N -2.86 5.14 0.75 0.53 -1.09 -0.99 -4.90 121.20 117.78 1hfx s ILE 21 Ca 0.00 0.45 -0.11 0.00 -2.23 0.00 0.00 60.65 58.76 1hfx s ILE 21 Cb 0.00 -3.78 0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1hfx s ILE 21 CO 0.00 0.04 1.08 0.42 -1.23 0.00 0.00 174.94 175.25 1hfx s THR 22 N 2.14 3.53 0.10 2.92 -4.23 -1.26 -0.38 115.64 118.45 1hfx s THR 22 Ca 0.15 0.50 -0.22 0.00 -1.18 0.00 0.00 61.69 60.94 1hfx s THR 22 Cb -0.16 -3.26 -0.12 0.00 1.34 0.00 0.00 72.50 70.31 1hfx s THR 22 CO 0.11 -0.65 1.75 0.25 -0.54 0.00 0.00 174.62 175.54 1hfx h LEU 23 N -0.90 0.06 -1.54 4.79 7.12 -1.95 -1.50 115.31 121.39 1hfx h LEU 23 Ca -0.45 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.53 1hfx h LEU 23 Cb 1.24 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.35 1hfx h LEU 23 CO 0.59 0.04 -0.04 1.55 -0.13 0.00 0.00 178.44 180.45 1hfx h PRO 24 N 0.08 0.25 -0.45 5.25 0.13 -1.88 -0.49 132.00 134.89 1hfx h PRO 24 Ca 0.03 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.05 1hfx h PRO 24 Cb 0.00 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.07 1hfx h PRO 24 CO -0.02 0.31 0.03 1.49 -0.23 0.00 0.00 178.00 179.58 1hfx h GLU 25 N 0.25 0.78 -0.57 0.86 4.81 -1.78 -0.90 114.58 118.02 1hfx h GLU 25 Ca 0.06 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1hfx h GLU 25 Cb 0.23 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1hfx h GLU 25 CO 0.01 0.82 0.13 -1.49 -0.73 0.00 0.00 179.01 177.75 1hfx h TRP 26 N 0.63 0.97 -0.63 0.92 -0.00 -0.42 0.12 115.95 117.54 1hfx h TRP 26 Ca 0.13 -0.12 -0.05 0.00 -0.00 0.00 0.00 58.89 58.85 1hfx h TRP 26 Cb 0.45 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 29.31 1hfx h TRP 26 CO 0.03 0.83 0.18 -0.07 -0.00 0.00 0.00 178.44 179.42 1hfx h LEU 27 N 0.82 0.90 0.10 -4.49 3.38 -0.94 0.29 115.31 115.37 1hfx h LEU 27 Ca 0.18 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1hfx h LEU 27 Cb 0.36 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1hfx h LEU 27 CO 0.00 0.85 -0.05 0.00 0.09 0.00 0.00 178.44 179.34 1hfx h ILE 29 N -0.40 0.76 -0.94 0.00 2.04 -0.72 -1.94 117.51 116.30 1hfx h ILE 29 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1hfx h ILE 29 Cb 0.33 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1hfx h ILE 29 CO 0.02 0.00 0.61 0.40 0.00 0.00 0.00 178.15 179.18 1hfx h ILE 30 N -0.20 1.25 -0.61 -0.67 2.04 -0.98 -0.38 117.51 117.96 1hfx h ILE 30 Ca 0.02 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1hfx h ILE 30 Cb 0.22 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 1hfx h ILE 30 CO -0.06 0.24 0.34 0.15 0.00 0.00 0.00 178.15 178.82 1hfx h PHE 31 N 1.29 0.83 -0.61 1.37 3.57 -1.00 0.89 116.94 123.29 1hfx h PHE 31 Ca 0.34 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 1hfx h PHE 31 Cb -0.12 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.32 1hfx h PHE 31 CO -0.00 0.60 0.19 0.45 -2.23 0.00 0.00 178.31 177.32 1hfx h HIS 32 N 0.83 0.97 0.00 0.41 3.86 -0.59 0.18 115.15 120.81 1hfx h HIS 32 Ca 0.21 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1hfx h HIS 32 Cb 0.04 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.23 1hfx h HIS 32 CO -0.01 0.80 -0.98 0.44 0.86 0.00 0.00 177.93 179.04 1hfx n ILE 33 N -4.40 0.58 -0.40 2.45 -5.35 -0.22 -4.61 119.36 107.41 1hfx n ILE 33 Ca 0.03 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1hfx n ILE 33 Cb 0.20 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 1hfx n ILE 33 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1hfx n SER 34 N -2.60 0.01 -1.94 7.28 3.41 0.28 -4.92 113.62 115.14 1hfx n SER 34 Ca 0.00 -0.42 -0.20 0.00 -0.26 0.00 0.00 58.87 57.99 1hfx n SER 34 Cb 0.54 0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 1hfx n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hfx n GLY 35 N 0.02 0.76 2.28 5.00 0.00 0.05 -1.79 105.19 111.52 1hfx n GLY 35 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1hfx n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hfx n TYR 36 N -3.20 -0.16 -3.54 1.61 4.01 -1.25 -4.81 117.16 109.81 1hfx n TYR 36 Ca -0.22 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.11 1hfx n TYR 36 Cb 0.68 -2.21 -0.11 0.00 -0.31 0.00 0.00 39.34 37.39 1hfx n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1hfx s ASP 37 N -2.77 5.99 0.58 7.72 2.15 -0.74 -0.24 116.67 129.36 1hfx s ASP 37 Ca 0.00 -0.48 0.38 0.00 0.43 0.00 0.00 52.55 52.88 1hfx s ASP 37 Cb 0.00 -2.12 1.83 0.00 -0.30 0.00 0.00 42.92 42.34 1hfx s ASP 37 CO 0.00 -0.25 2.13 0.71 -0.17 0.00 0.00 175.17 177.60 1hfx h THR 38 N 5.53 0.00 -0.62 1.71 1.35 -1.35 -2.57 112.91 116.96 1hfx h THR 38 Ca -0.31 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1hfx h THR 38 Cb 1.15 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1hfx h THR 38 CO 0.64 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.91 1hfx n GLN 39 N -2.99 4.22 -2.14 4.72 6.02 -1.26 -3.52 117.38 122.43 1hfx n GLN 39 Ca -0.01 -2.98 -0.41 0.00 -0.01 0.00 0.00 57.00 53.58 1hfx n GLN 39 Cb 0.18 -2.06 -0.03 0.00 1.02 0.00 0.00 30.24 29.36 1hfx n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hfx s ALA 40 N -2.23 3.55 -0.04 -1.58 0.00 -0.97 -4.76 121.76 115.73 1hfx s ALA 40 Ca 0.53 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.68 1hfx s ALA 40 Cb 0.37 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 20.01 1hfx s ALA 40 CO 0.21 -0.61 0.01 0.42 0.00 0.00 0.00 175.76 175.79 1hfx s ILE 41 N -0.22 0.19 -0.11 0.00 1.01 -1.26 -0.04 121.20 120.77 1hfx s ILE 41 Ca 0.56 0.16 0.03 0.00 0.00 0.00 0.00 60.65 61.39 1hfx s ILE 41 Cb -0.39 -0.33 0.01 0.00 0.01 0.00 0.00 42.46 41.76 1hfx s ILE 41 CO 0.43 0.19 -0.20 -0.69 0.00 0.00 0.00 174.94 174.67 1hfx s VAL 42 N 1.52 1.84 -0.12 2.92 1.01 -0.77 -4.97 120.40 121.82 1hfx s VAL 42 Ca -0.03 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 60.89 1hfx s VAL 42 Cb -0.13 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1hfx s VAL 42 CO -0.03 0.51 0.54 -0.75 0.00 0.00 0.00 175.10 175.37 1hfx s LYS 43 N 0.68 4.34 0.17 2.72 2.20 -1.26 -1.17 119.74 127.42 1hfx s LYS 43 Ca -0.12 0.56 0.01 0.00 -0.36 0.00 0.00 55.97 56.06 1hfx s LYS 43 Cb -0.16 -3.46 0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1hfx s LYS 43 CO 0.02 0.07 0.07 0.09 -0.36 0.00 0.00 175.35 175.25 1hfx n ASN 44 N 3.93 1.92 0.11 1.43 5.03 0.38 -5.01 115.26 123.06 1hfx n ASN 44 Ca -0.05 -1.64 -0.10 0.00 0.87 0.00 0.00 54.58 53.66 1hfx n ASN 44 Cb 0.51 0.04 -0.06 0.00 -1.02 0.00 0.00 39.78 39.25 1hfx n ASN 44 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1hfx h SER 45 N 0.28 -0.92 -1.17 6.41 4.64 -2.03 -3.32 113.55 117.44 1hfx h SER 45 Ca -0.12 0.09 -0.56 0.00 -0.47 0.00 0.00 61.79 60.73 1hfx h SER 45 Cb 0.40 0.33 -0.42 0.00 -0.31 0.00 0.00 62.40 62.40 1hfx h SER 45 CO 0.19 -0.36 -0.79 -0.90 -0.87 0.00 0.00 176.83 174.10 1hfx n ASP 46 N -4.26 4.63 0.00 4.97 5.75 -1.26 -5.05 116.55 121.33 1hfx n ASP 46 Ca -0.06 -3.66 0.00 0.00 -0.01 0.00 0.00 54.79 51.06 1hfx n ASP 46 Cb 0.26 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1hfx n ASP 46 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hfx n HIS 47 N -0.56 0.00 -4.30 2.11 1.44 -1.25 -4.86 115.22 107.79 1hfx n HIS 47 Ca 0.39 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.89 1hfx n HIS 47 Cb 0.79 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.79 1hfx n HIS 47 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1hfx s LYS 48 N -2.00 1.19 -0.08 -1.40 1.02 -1.26 -0.47 119.74 116.74 1hfx s LYS 48 Ca 0.00 -1.34 0.03 0.00 0.02 0.00 0.00 55.97 54.68 1hfx s LYS 48 Cb 0.00 -1.22 -0.01 0.00 -0.52 0.00 0.00 37.83 36.07 1hfx s LYS 48 CO 0.00 0.25 -0.19 -1.21 -0.92 0.00 0.00 175.35 173.28 1hfx s GLU 49 N -2.68 2.86 0.03 1.68 2.02 -0.31 -1.72 118.70 120.58 1hfx s GLU 49 Ca 0.13 -0.79 0.08 0.00 0.02 0.00 0.00 54.97 54.42 1hfx s GLU 49 Cb -0.06 -2.37 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 1hfx s GLU 49 CO 0.05 0.36 -0.24 0.71 0.02 0.00 0.00 175.26 176.17 1hfx s TYR 50 N -0.08 2.39 0.00 1.61 1.51 0.56 -1.85 117.35 121.49 1hfx s TYR 50 Ca -0.04 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1hfx s TYR 50 Cb -0.14 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 1hfx s TYR 50 CO 0.04 0.14 0.00 0.41 -1.11 0.00 0.00 175.55 175.03 1hfx n GLY 51 N 1.82 -1.52 0.36 0.71 0.00 0.95 -1.55 105.19 105.95 1hfx n GLY 51 Ca -0.17 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 44.76 1hfx n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hfx h LEU 52 N 0.00 0.81 -1.63 0.99 5.85 -1.63 -0.87 115.31 118.84 1hfx h LEU 52 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1hfx h LEU 52 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1hfx h LEU 52 CO 0.00 0.32 0.00 0.49 -0.34 0.00 0.00 178.44 178.91 1hfx n PHE 53 N -4.74 0.19 -3.84 1.25 3.72 -1.26 -4.51 117.46 108.28 1hfx n PHE 53 Ca 0.23 -0.09 -0.30 0.00 -0.05 0.00 0.00 57.45 57.24 1hfx n PHE 53 Cb 0.53 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.08 1hfx n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1hfx n GLN 54 N 0.89 -2.20 -2.78 -1.08 1.13 -0.33 -4.91 117.38 108.10 1hfx n GLN 54 Ca 0.17 0.41 -0.42 0.00 -1.94 0.00 0.00 57.00 55.22 1hfx n GLN 54 Cb 0.48 -4.21 -0.03 0.00 0.11 0.00 0.00 30.24 26.59 1hfx n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hfx s ILE 55 N -3.71 4.84 0.50 5.09 1.01 -0.60 -4.45 121.20 123.89 1hfx s ILE 55 Ca 0.24 1.88 -0.15 0.00 0.00 0.00 0.00 60.65 62.63 1hfx s ILE 55 Cb -0.09 -4.24 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 1hfx s ILE 55 CO 0.88 0.05 0.94 0.54 0.00 0.00 0.00 174.94 177.35 1hfx s ASN 56 N 1.08 6.56 -0.05 3.58 2.20 -1.26 -0.32 114.94 126.73 1hfx s ASN 56 Ca 0.45 1.46 0.17 0.00 -0.94 0.00 0.00 52.86 53.99 1hfx s ASN 56 Cb -0.18 -2.46 0.56 0.00 -2.00 0.00 0.00 41.25 37.17 1hfx s ASN 56 CO 0.17 -0.57 1.46 -0.90 -2.94 0.00 0.00 177.10 174.32 1hfx n ASP 57 N -1.64 3.63 -0.07 3.54 5.75 -0.70 -1.60 116.55 125.46 1hfx n ASP 57 Ca 0.06 -2.20 -0.20 0.00 -0.01 0.00 0.00 54.79 52.44 1hfx n ASP 57 Cb 0.54 -0.47 -0.12 0.00 -1.03 0.00 0.00 41.12 40.04 1hfx n ASP 57 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1hfx h LYS 58 N 3.43 0.06 0.00 0.11 3.64 -1.83 -3.37 116.57 118.60 1hfx h LYS 58 Ca 0.00 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1hfx h LYS 58 Cb 1.04 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1hfx h LYS 58 CO 0.10 1.05 -1.15 -0.25 -2.27 0.00 0.00 179.45 176.93 1hfx n ASP 59 N -4.34 4.42 -0.12 4.20 8.00 -1.26 -1.91 116.55 125.54 1hfx n ASP 59 Ca -0.26 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.03 1hfx n ASP 59 Cb 0.69 0.65 -0.10 0.00 -0.02 0.00 0.00 41.12 42.34 1hfx n ASP 59 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1hfx n PHE 60 N -2.00 0.00 -4.32 1.24 3.72 -0.97 -0.23 117.46 114.90 1hfx n PHE 60 Ca -0.03 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.18 1hfx n PHE 60 Cb 0.49 -0.92 -0.11 0.00 -0.94 0.00 0.00 39.48 38.01 1hfx n PHE 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hfx s GLU 62 N -3.26 3.83 0.41 0.00 2.12 -0.13 -4.14 118.70 117.53 1hfx s GLU 62 Ca 0.18 -0.30 -0.04 0.00 0.36 0.00 0.00 54.97 55.17 1hfx s GLU 62 Cb -0.03 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 1hfx s GLU 62 CO 0.06 -0.30 0.68 -1.54 -0.54 0.00 0.00 175.26 173.62 1hfx s SER 63 N 1.72 6.31 -1.43 -1.70 1.04 -1.26 -0.42 113.70 117.96 1hfx s SER 63 Ca 0.10 0.77 -0.10 0.00 0.48 0.00 0.00 55.95 57.19 1hfx s SER 63 Cb -0.16 -2.17 0.06 0.00 0.10 0.00 0.00 66.02 63.84 1hfx s SER 63 CO 0.11 -0.43 2.36 -1.20 0.98 0.00 0.00 173.24 175.05 1hfx n SER 64 N -1.89 6.29 -0.59 7.02 7.64 -1.26 -4.76 113.62 126.06 1hfx n SER 64 Ca -0.01 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 56.96 1hfx n SER 64 Cb 0.55 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1hfx n SER 64 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1hfx n THR 65 N 3.56 0.00 -0.61 0.44 -2.24 -1.26 -5.04 114.28 109.14 1hfx n THR 65 Ca 0.58 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.44 1hfx n THR 65 Cb 0.31 0.00 0.36 0.00 -2.10 0.00 0.00 70.33 68.90 1hfx n THR 65 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1hfx n THR 66 N 0.00 2.06 -2.87 4.28 -2.24 -1.26 -4.93 114.28 109.32 1hfx n THR 66 Ca 0.00 -1.19 -0.41 0.00 -2.27 0.00 0.00 64.05 60.18 1hfx n THR 66 Cb 0.00 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.15 1hfx n THR 66 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1hfx s VAL 67 N -2.14 4.94 -0.57 2.28 1.01 -1.26 -5.00 120.40 119.65 1hfx s VAL 67 Ca 0.50 1.75 -0.26 0.00 0.00 0.00 0.00 61.98 63.97 1hfx s VAL 67 Cb 0.34 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1hfx s VAL 67 CO 0.21 0.17 1.07 -1.10 0.00 0.00 0.00 175.10 175.44 1hfx s GLN 68 N 1.13 3.40 -0.06 2.72 -0.21 -1.26 -4.77 119.66 120.61 1hfx s GLN 68 Ca 0.44 -0.04 -0.05 0.00 0.02 0.00 0.00 55.36 55.73 1hfx s GLN 68 Cb -0.19 -4.04 -0.04 0.00 1.00 0.00 0.00 33.01 29.74 1hfx s GLN 68 CO 0.21 -1.61 0.15 0.45 -2.12 0.00 0.00 175.29 172.38 1hfx s SER 69 N 2.95 6.31 0.36 5.90 0.15 -1.26 -4.85 113.70 123.25 1hfx s SER 69 Ca 0.36 0.39 0.17 0.00 0.70 0.00 0.00 55.95 57.57 1hfx s SER 69 Cb -0.10 -2.00 0.63 0.00 -1.71 0.00 0.00 66.02 62.84 1hfx s SER 69 CO 0.22 0.34 1.72 -0.09 1.20 0.00 0.00 173.24 176.62 1hfx h ARG 70 N 4.42 0.00 -6.29 5.44 2.43 -1.57 -3.48 114.38 115.32 1hfx h ARG 70 Ca -0.52 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.20 1hfx h ARG 70 Cb 1.21 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.79 1hfx h ARG 70 CO 0.63 0.42 -0.90 -1.71 -1.51 0.00 0.00 179.97 176.90 1hfx n ASN 71 N -3.61 -2.69 -0.35 -3.80 4.05 -0.89 -4.89 115.26 103.08 1hfx n ASN 71 Ca -0.01 -0.98 0.03 0.00 0.45 0.00 0.00 54.58 54.08 1hfx n ASN 71 Cb 0.52 -3.40 0.19 0.00 1.23 0.00 0.00 39.78 38.32 1hfx n ASN 71 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1hfx h ILE 72 N -1.86 1.08 0.00 -1.44 2.04 -0.55 0.82 117.51 117.60 1hfx h ILE 72 Ca -0.64 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1hfx h ILE 72 Cb 1.37 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1hfx h ILE 72 CO 0.55 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.91 1hfx n ASP 74 N -1.33 -3.31 -3.77 0.00 2.03 0.28 -4.95 116.55 105.51 1hfx n ASP 74 Ca 0.10 -0.98 -0.13 0.00 0.52 0.00 0.00 54.79 54.30 1hfx n ASP 74 Cb 0.21 -3.41 -0.11 0.00 -0.72 0.00 0.00 41.12 37.09 1hfx n ASP 74 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1hfx s ILE 75 N -3.64 0.01 0.30 5.18 2.07 -1.26 -5.06 121.20 118.80 1hfx s ILE 75 Ca 0.27 -0.07 -0.28 0.00 -1.41 0.00 0.00 60.65 59.16 1hfx s ILE 75 Cb -0.10 -0.45 -0.09 0.00 0.13 0.00 0.00 42.46 41.95 1hfx s ILE 75 CO 0.86 -0.04 1.06 -0.44 -1.91 0.00 0.00 174.94 174.47 1hfx s SER 76 N -0.05 7.22 0.57 4.50 0.01 -1.26 -0.96 113.70 123.72 1hfx s SER 76 Ca -0.02 2.16 0.30 0.00 1.31 0.00 0.00 55.95 59.70 1hfx s SER 76 Cb -0.03 -2.61 1.71 0.00 0.21 0.00 0.00 66.02 65.30 1hfx s SER 76 CO 0.01 -0.17 2.18 0.00 0.41 0.00 0.00 173.24 175.67 1hfx h ASP 78 N 0.00 0.00 0.73 0.00 2.03 -1.92 -0.22 116.42 117.04 1hfx h ASP 78 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1hfx h ASP 78 Cb 0.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1hfx h ASP 78 CO 0.01 0.11 0.00 0.29 -1.03 0.00 0.00 179.24 178.62 1hfx n LYS 79 N -3.77 0.07 -0.27 4.15 5.02 -0.97 -1.96 118.16 120.43 1hfx n LYS 79 Ca -0.02 0.24 0.10 0.00 -2.02 0.00 0.00 58.31 56.61 1hfx n LYS 79 Cb 0.21 -1.61 0.27 0.00 -0.02 0.00 0.00 35.03 33.88 1hfx n LYS 79 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1hfx n LEU 80 N -1.74 3.16 -0.10 -0.35 4.77 -0.09 -4.12 117.00 118.52 1hfx n LEU 80 Ca 0.04 -1.52 0.03 0.00 -0.03 0.00 0.00 56.01 54.54 1hfx n LEU 80 Cb 0.24 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1hfx n LEU 80 CO 0.19 0.76 0.11 0.18 -1.33 0.00 0.00 177.39 177.30 1hfx n LEU 81 N 1.24 0.76 0.00 2.23 4.77 -0.83 -3.70 117.00 121.48 1hfx n LEU 81 Ca 0.20 -0.66 -0.15 0.00 -0.03 0.00 0.00 56.01 55.36 1hfx n LEU 81 Cb 0.52 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.70 1hfx n LEU 81 CO 0.14 0.16 0.41 -0.90 -1.33 0.00 0.00 177.39 175.87 1hfx n ASP 82 N -0.64 0.47 -0.61 -1.43 5.68 -1.25 -4.27 116.55 114.51 1hfx n ASP 82 Ca 0.02 -1.50 0.10 0.00 -0.50 0.00 0.00 54.79 52.92 1hfx n ASP 82 Cb 0.14 -0.47 0.35 0.00 -1.14 0.00 0.00 41.12 40.00 1hfx n ASP 82 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1hfx n ASP 83 N -3.19 1.81 -4.44 -1.12 5.75 -1.26 -4.73 116.55 109.38 1hfx n ASP 83 Ca 0.10 -1.75 -0.43 0.00 -0.01 0.00 0.00 54.79 52.70 1hfx n ASP 83 Cb 0.34 -0.12 -0.09 0.00 -1.03 0.00 0.00 41.12 40.22 1hfx n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1hfx s ASP 84 N -1.53 6.15 0.00 -1.12 2.15 -1.26 -4.92 116.67 116.13 1hfx s ASP 84 Ca 0.32 -0.98 0.30 0.00 0.43 0.00 0.00 52.55 52.62 1hfx s ASP 84 Cb 0.18 -2.19 1.47 0.00 -0.30 0.00 0.00 42.92 42.07 1hfx s ASP 84 CO 0.26 -0.58 1.98 0.18 -0.17 0.00 0.00 175.17 176.84 1hfx n LEU 85 N 5.36 0.73 0.01 -1.34 4.32 -1.26 -4.34 117.00 120.48 1hfx n LEU 85 Ca -0.10 -0.24 -0.11 0.00 -0.02 0.00 0.00 56.01 55.54 1hfx n LEU 85 Cb 0.46 -0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 42.20 1hfx n LEU 85 CO 0.45 0.12 0.63 0.74 -1.22 0.00 0.00 177.39 178.12 1hfx h THR 86 N 1.14 0.26 -0.09 -5.08 2.02 -1.94 0.81 112.91 110.03 1hfx h THR 86 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1hfx h THR 86 Cb 0.26 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1hfx h THR 86 CO 0.00 0.00 -0.52 -2.24 0.37 0.00 0.00 175.52 173.13 1hfx h ASP 87 N -0.43 0.28 0.11 4.18 3.04 -1.92 -2.40 116.42 119.29 1hfx h ASP 87 Ca 0.09 -0.14 0.01 0.00 -3.24 0.00 0.00 57.03 53.74 1hfx h ASP 87 Cb 0.57 -0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 38.76 1hfx h ASP 87 CO -0.35 0.75 -0.12 0.44 -2.04 0.00 0.00 179.24 177.91 1hfx h ASP 88 N 0.20 -0.32 -0.69 4.15 5.19 -1.64 -1.25 116.42 122.06 1hfx h ASP 88 Ca 0.01 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1hfx h ASP 88 Cb 0.98 0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.57 1hfx h ASP 88 CO 0.08 -0.18 0.46 0.40 -3.12 0.00 0.00 179.24 176.87 1hfx h ILE 89 N -0.26 1.15 -0.56 0.35 2.04 -0.80 0.17 117.51 119.60 1hfx h ILE 89 Ca 0.01 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1hfx h ILE 89 Cb 0.26 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 1hfx h ILE 89 CO -0.04 0.16 0.33 -0.03 0.00 0.00 0.00 178.15 178.58 1hfx h MET 90 N 0.90 0.64 -0.34 2.37 4.05 -0.86 -0.13 114.93 121.56 1hfx h MET 90 Ca 0.26 -0.04 -0.16 0.00 -0.28 0.00 0.00 59.70 59.48 1hfx h MET 90 Cb -0.05 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.60 1hfx h MET 90 CO -0.06 0.43 -0.42 0.00 0.23 0.00 0.00 176.91 177.08 1hfx h VAL 92 N 0.69 1.08 -0.82 0.00 2.07 -0.04 0.14 116.25 119.37 1hfx h VAL 92 Ca 0.05 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1hfx h VAL 92 Cb 1.00 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1hfx h VAL 92 CO 0.10 0.15 0.45 0.11 0.02 0.00 0.00 177.57 178.39 1hfx h LYS 93 N 0.83 1.14 -0.72 1.57 1.57 -0.93 0.81 116.57 120.84 1hfx h LYS 93 Ca 0.28 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1hfx h LYS 93 Cb 0.04 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1hfx h LYS 93 CO -0.12 0.84 0.34 0.87 -0.57 0.00 0.00 179.45 180.82 1hfx h LYS 94 N 1.14 1.05 -0.58 3.15 1.57 -0.82 -1.26 116.57 120.81 1hfx h LYS 94 Ca 0.29 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1hfx h LYS 94 Cb 0.03 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1hfx h LYS 94 CO -0.05 0.82 0.05 0.82 -0.57 0.00 0.00 179.45 180.53 1hfx h ILE 95 N 1.02 1.26 -0.83 1.86 2.04 -0.54 -1.59 117.51 120.72 1hfx h ILE 95 Ca 0.25 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 65.07 1hfx h ILE 95 Cb 0.13 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1hfx h ILE 95 CO -0.03 0.38 0.55 -0.07 0.00 0.00 0.00 178.15 178.98 1hfx h LEU 96 N 0.87 0.95 -0.72 1.44 3.38 -0.30 0.51 115.31 121.44 1hfx h LEU 96 Ca 0.17 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1hfx h LEU 96 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1hfx h LEU 96 CO 0.02 0.69 -0.43 0.44 0.09 0.00 0.00 178.44 179.25 1hfx h ASP 97 N 1.12 0.51 0.00 -0.43 3.32 -0.91 -1.66 116.42 118.37 1hfx h ASP 97 Ca 0.31 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1hfx h ASP 97 Cb -0.12 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1hfx h ASP 97 CO -0.07 0.87 -0.27 0.40 -1.72 0.00 0.00 179.24 178.45 1hfx h ILE 98 N 0.39 0.00 0.00 0.35 2.04 -0.58 -3.43 117.51 116.28 1hfx h ILE 98 Ca 0.03 -0.86 -0.30 0.00 1.00 0.00 0.00 64.86 64.73 1hfx h ILE 98 Cb 0.91 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1hfx h ILE 98 CO 0.08 0.00 -1.97 0.29 0.00 0.00 0.00 178.15 176.55 1hfx n LYS 99 N -4.32 0.66 0.00 2.37 4.76 0.17 -5.09 118.16 116.70 1hfx n LYS 99 Ca -0.04 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1hfx n LYS 99 Cb 0.14 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 1hfx n LYS 99 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hfx n GLY 100 N 1.61 -0.94 0.28 0.72 0.00 -0.62 -4.07 105.19 102.16 1hfx n GLY 100 Ca -0.22 -1.66 0.18 0.00 0.00 0.00 0.00 46.02 44.32 1hfx n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hfx h ILE 101 N 0.00 0.00 -0.41 -0.61 6.09 -1.88 -1.68 117.51 119.02 1hfx h ILE 101 Ca 0.00 0.00 0.12 0.00 -1.37 0.00 0.00 64.86 63.61 1hfx h ILE 101 Cb 0.00 0.80 -0.02 0.00 0.47 0.00 0.00 36.82 38.08 1hfx h ILE 101 CO 0.00 0.00 0.38 0.44 -3.07 0.00 0.00 178.15 175.90 1hfx h ASP 102 N 0.00 0.00 -0.94 2.19 3.32 -1.97 0.33 116.42 119.35 1hfx h ASP 102 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1hfx h ASP 102 Cb 0.04 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 1hfx h ASP 102 CO 0.00 0.00 0.60 0.22 -1.72 0.00 0.00 179.24 178.34 1hfx h TYR 103 N 0.00 1.11 0.09 4.55 3.20 -1.49 0.16 116.97 124.60 1hfx h TYR 103 Ca 0.20 0.03 -0.29 0.00 3.14 0.00 0.00 58.73 61.80 1hfx h TYR 103 Cb 0.96 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1hfx h TYR 103 CO 0.00 0.57 -1.54 -1.49 -1.64 0.00 0.00 178.16 174.06 1hfx h TRP 104 N 1.09 0.36 -0.38 -3.82 6.55 -1.19 -3.38 115.95 115.17 1hfx h TRP 104 Ca 0.40 -0.26 -0.10 0.00 0.95 0.00 0.00 58.89 59.88 1hfx h TRP 104 Cb 0.16 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 28.43 1hfx h TRP 104 CO -0.01 1.60 -0.19 -0.07 -1.05 0.00 0.00 178.44 178.72 1hfx h LEU 105 N -0.35 0.73 -1.56 -4.49 3.38 -1.33 -3.47 115.31 108.23 1hfx h LEU 105 Ca -0.35 -0.24 -0.48 0.00 0.09 0.00 0.00 57.88 56.89 1hfx h LEU 105 Cb 1.74 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.24 1hfx h LEU 105 CO 0.01 0.92 -0.84 0.00 0.09 0.00 0.00 178.44 178.62 1hfx n ALA 106 N -2.49 -1.74 -1.90 1.53 0.00 0.04 -1.46 120.51 114.49 1hfx n ALA 106 Ca 0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 1hfx n ALA 106 Cb 0.41 -2.53 -0.06 0.00 0.00 0.00 0.00 19.45 17.27 1hfx n ALA 106 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hfx n HIS 107 N -4.43 -0.38 -3.75 0.00 -0.00 -1.26 -4.99 115.22 100.41 1hfx n HIS 107 Ca -0.17 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.34 1hfx n HIS 107 Cb 0.62 -3.55 -0.02 0.00 -0.00 0.00 0.00 29.99 27.03 1hfx n HIS 107 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1hfx s LYS 108 N -4.21 3.00 0.00 -0.41 1.02 -0.53 -5.03 119.74 113.57 1hfx s LYS 108 Ca 0.00 -1.08 0.17 0.00 0.02 0.00 0.00 55.97 55.07 1hfx s LYS 108 Cb 0.00 -2.67 0.53 0.00 -0.52 0.00 0.00 37.83 35.17 1hfx s LYS 108 CO 0.00 0.17 1.41 -0.35 -0.92 0.00 0.00 175.35 175.66 1hfx n PRO 109 N -1.45 1.85 -1.87 -1.68 -0.04 -1.26 -4.97 135.00 125.58 1hfx n PRO 109 Ca -0.03 -1.31 -0.37 0.00 -0.04 0.00 0.00 63.50 61.75 1hfx n PRO 109 Cb 0.58 -1.36 0.05 0.00 -0.04 0.00 0.00 33.50 32.74 1hfx n PRO 109 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1hfx s LEU 110 N -1.28 3.68 -1.35 1.53 2.34 -1.26 -3.54 118.68 118.80 1hfx s LEU 110 Ca 0.30 2.56 -0.07 0.00 0.06 0.00 0.00 54.13 56.97 1hfx s LEU 110 Cb 0.16 -4.53 0.02 0.00 -0.56 0.00 0.00 46.19 41.28 1hfx s LEU 110 CO 0.22 -1.72 1.07 0.00 -1.06 0.00 0.00 176.35 174.86 1hfx n SER 112 N -3.02 2.49 -4.39 0.00 3.41 -1.23 -4.96 113.62 105.92 1hfx n SER 112 Ca -0.08 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.31 1hfx n SER 112 Cb 0.59 1.11 -0.10 0.00 -0.26 0.00 0.00 64.21 65.54 1hfx n SER 112 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1hfx s ASP 113 N -3.78 3.05 -1.30 4.04 1.01 -1.26 -4.79 116.67 113.64 1hfx s ASP 113 Ca -0.05 -0.97 -0.12 0.00 0.71 0.00 0.00 52.55 52.13 1hfx s ASP 113 Cb 0.05 -0.21 0.10 0.00 1.01 0.00 0.00 42.92 43.87 1hfx s ASP 113 CO 0.44 -0.03 0.50 0.29 0.21 0.00 0.00 175.17 176.58 1hfx n LYS 114 N -0.23 -3.02 0.31 8.23 5.02 -1.26 -4.83 118.16 122.37 1hfx n LYS 114 Ca -0.09 0.38 0.19 0.00 -2.02 0.00 0.00 58.31 56.77 1hfx n LYS 114 Cb 0.59 -5.06 1.03 0.00 -0.02 0.00 0.00 35.03 31.57 1hfx n LYS 114 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1hfx h LEU 115 N -0.95 0.00 -1.06 -0.35 3.38 -1.93 -0.41 115.31 113.98 1hfx h LEU 115 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1hfx h LEU 115 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1hfx h LEU 115 CO 0.56 0.00 0.00 1.05 0.09 0.00 0.00 178.44 180.14 1hfx h GLU 116 N 0.00 0.00 0.00 1.13 9.09 -1.95 -1.41 114.58 121.44 1hfx h GLU 116 Ca 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.42 1hfx h GLU 116 Cb 0.20 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.30 1hfx h GLU 116 CO -0.00 0.00 -0.03 1.96 0.05 0.00 0.00 179.01 180.99 1hfx h GLN 117 N 0.00 0.00 -0.01 1.06 4.20 -1.44 -3.03 115.11 115.89 1hfx h GLN 117 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1hfx h GLN 117 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1hfx h GLN 117 CO 0.00 0.03 -0.11 0.91 -0.67 0.00 0.00 178.83 179.00 1hfx n TRP 118 N -3.20 0.00 -2.14 2.96 7.02 -0.53 -4.92 117.44 116.63 1hfx n TRP 118 Ca -0.01 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.11 1hfx n TRP 118 Cb 0.22 -0.10 0.02 0.00 -2.42 0.00 0.00 31.31 29.03 1hfx n TRP 118 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1hfx s TYR 119 N -2.30 2.54 0.02 -5.99 2.02 -1.15 -4.83 117.35 107.67 1hfx s TYR 119 Ca 0.32 1.53 -0.22 0.00 -0.37 0.00 0.00 57.07 58.33 1hfx s TYR 119 Cb 0.20 -3.39 -0.17 0.00 -0.40 0.00 0.00 41.96 38.20 1hfx s TYR 119 CO 0.44 -1.88 1.27 0.00 -1.57 0.00 0.00 175.55 173.81 1hfx n GLU 121 N -4.58 0.00 0.00 0.00 4.07 -1.26 -4.96 120.64 113.91 1hfx n GLU 121 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 1hfx n GLU 121 Cb 0.38 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.76 1hfx n GLU 121 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hfx n ALA 122 N -2.54 0.00 -0.76 4.31 0.00 -1.26 -5.19 120.51 115.06 1hfx n ALA 122 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1hfx n ALA 122 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1hfx n ALA 122 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54