#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfy s GLN 2 N 0.00 3.84 0.51 5.31 -0.21 -1.26 -2.23 119.66 125.62 1hfy s GLN 2 Ca 0.00 0.45 -0.03 0.00 0.02 0.00 0.00 55.36 55.81 1hfy s GLN 2 Cb 0.00 -3.78 -0.00 0.00 1.00 0.00 0.00 33.01 30.23 1hfy s GLN 2 CO 0.00 -0.80 0.77 -0.51 -2.12 0.00 0.00 175.29 172.63 1hfy s LEU 3 N 3.10 3.48 0.29 2.90 1.43 0.07 -5.01 118.68 124.94 1hfy s LEU 3 Ca 0.33 0.52 0.06 0.00 -1.03 0.00 0.00 54.13 54.00 1hfy s LEU 3 Cb -0.13 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 1hfy s LEU 3 CO 0.15 -0.83 0.42 0.42 0.23 0.00 0.00 176.35 176.74 1hfy s THR 4 N -2.75 4.65 0.22 5.49 -4.23 -1.26 -4.80 115.64 112.96 1hfy s THR 4 Ca 0.50 -0.98 -0.08 0.00 -1.18 0.00 0.00 61.69 59.96 1hfy s THR 4 Cb -0.10 -3.63 0.17 0.00 1.34 0.00 0.00 72.50 70.28 1hfy s THR 4 CO 0.41 -0.25 1.74 0.50 -0.54 0.00 0.00 174.62 176.48 1hfy h LYS 5 N 1.02 0.40 -0.38 3.99 3.64 -1.98 -1.60 116.57 121.66 1hfy h LYS 5 Ca -0.49 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.76 1hfy h LYS 5 Cb 1.24 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1hfy h LYS 5 CO 0.57 0.26 -0.19 0.00 -2.27 0.00 0.00 179.45 177.83 1hfy h GLU 7 N 0.65 0.70 -0.76 0.00 5.08 -1.82 -1.84 114.58 116.59 1hfy h GLU 7 Ca 0.10 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1hfy h GLU 7 Cb 0.67 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1hfy h GLU 7 CO 0.05 0.76 0.32 0.28 -1.00 0.00 0.00 179.01 179.41 1hfy h VAL 8 N 0.55 1.25 -0.26 3.13 2.07 -1.12 -1.40 116.25 120.47 1hfy h VAL 8 Ca 0.12 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.91 1hfy h VAL 8 Cb 0.41 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1hfy h VAL 8 CO 0.01 0.32 0.02 0.15 0.02 0.00 0.00 177.57 178.09 1hfy h PHE 9 N 1.09 0.03 0.45 1.57 3.57 -0.72 -0.63 116.94 122.30 1hfy h PHE 9 Ca 0.25 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1hfy h PHE 9 Cb 0.19 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1hfy h PHE 9 CO 0.02 -0.01 -0.22 1.96 -2.23 0.00 0.00 178.31 177.83 1hfy h GLN 10 N 0.11 -0.58 0.00 1.11 4.20 -1.05 -3.17 115.11 115.73 1hfy h GLN 10 Ca 0.12 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1hfy h GLN 10 Cb 0.14 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1hfy h GLN 10 CO -0.19 -0.37 -0.01 0.87 -0.67 0.00 0.00 178.83 178.46 1hfy h LYS 11 N -0.64 0.00 -0.63 1.46 1.57 -1.05 -2.46 116.57 114.82 1hfy h LYS 11 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1hfy h LYS 11 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1hfy h LYS 11 CO 0.10 0.01 0.00 1.28 -0.57 0.00 0.00 179.45 180.27 1hfy n LEU 12 N -4.07 3.88 -0.34 2.94 4.77 -0.26 -4.55 117.00 119.37 1hfy n LEU 12 Ca -0.03 -1.96 0.10 0.00 -0.03 0.00 0.00 56.01 54.10 1hfy n LEU 12 Cb 0.09 -0.51 0.28 0.00 -2.33 0.00 0.00 43.42 40.95 1hfy n LEU 12 CO 0.30 0.66 1.18 0.50 -1.33 0.00 0.00 177.39 178.69 1hfy h LYS 13 N 3.24 0.76 0.00 3.23 3.64 -1.48 -0.86 116.57 125.10 1hfy h LYS 13 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1hfy h LYS 13 Cb 1.21 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1hfy h LYS 13 CO 0.19 0.50 0.00 -3.47 -2.27 0.00 0.00 179.45 174.40 1hfy n ASP 14 N -4.76 0.00 -0.31 4.20 2.03 -1.26 -1.40 116.55 115.04 1hfy n ASP 14 Ca 0.21 -0.04 0.11 0.00 0.52 0.00 0.00 54.79 55.59 1hfy n ASP 14 Cb 0.49 -0.24 0.02 0.00 -0.72 0.00 0.00 41.12 40.68 1hfy n ASP 14 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1hfy n LEU 15 N -1.24 1.57 -4.67 -2.67 4.77 -0.33 -4.89 117.00 109.55 1hfy n LEU 15 Ca 0.08 -0.60 -0.51 0.00 -0.03 0.00 0.00 56.01 54.95 1hfy n LEU 15 Cb 0.11 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1hfy n LEU 15 CO 0.12 0.31 1.29 1.17 -1.33 0.00 0.00 177.39 178.95 1hfy n LYS 16 N -0.55 1.68 -0.79 3.23 4.81 -0.50 -1.57 118.16 124.47 1hfy n LYS 16 Ca 0.08 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1hfy n LYS 16 Cb 0.41 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.10 1hfy n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1hfy n ASP 17 N 5.01 -2.33 -4.71 3.14 8.00 -0.57 -4.92 116.55 120.17 1hfy n ASP 17 Ca 0.22 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.30 1hfy n ASP 17 Cb 0.22 -2.29 -0.03 0.00 -0.02 0.00 0.00 41.12 39.01 1hfy n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hfy n TYR 18 N -2.11 2.71 -0.97 1.24 9.36 -0.61 -0.52 117.16 126.26 1hfy n TYR 18 Ca 0.00 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1hfy n TYR 18 Cb 0.17 -2.68 0.00 0.00 -0.63 0.00 0.00 39.34 36.20 1hfy n TYR 18 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1hfy n GLY 19 N 3.99 0.09 1.21 2.98 0.00 -1.26 -1.46 105.19 110.75 1hfy n GLY 19 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1hfy n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfy n GLY 20 N 0.15 0.72 3.52 -0.02 0.00 0.32 -5.04 105.19 104.84 1hfy n GLY 20 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1hfy n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hfy s VAL 21 N -2.10 5.22 0.86 1.61 1.01 -0.53 -4.93 120.40 121.53 1hfy s VAL 21 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 1hfy s VAL 21 Cb 0.00 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.68 1hfy s VAL 21 CO 0.00 -0.12 1.11 -0.94 0.00 0.00 0.00 175.10 175.15 1hfy s SER 22 N 1.73 3.59 0.16 3.32 1.04 -1.26 -1.52 113.70 120.76 1hfy s SER 22 Ca 0.09 1.91 -0.16 0.00 0.48 0.00 0.00 55.95 58.26 1hfy s SER 22 Cb -0.17 -2.48 0.07 0.00 0.10 0.00 0.00 66.02 63.53 1hfy s SER 22 CO 0.11 -2.63 1.74 0.25 0.98 0.00 0.00 173.24 173.69 1hfy h LEU 23 N -1.54 0.08 -2.15 2.42 5.85 -1.91 -1.03 115.31 117.03 1hfy h LEU 23 Ca -0.45 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1hfy h LEU 23 Cb 1.26 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1hfy h LEU 23 CO 0.48 0.08 -0.02 -0.65 -0.34 0.00 0.00 178.44 177.99 1hfy h PRO 24 N 0.24 0.00 0.00 5.25 0.11 -1.89 0.58 132.00 136.29 1hfy h PRO 24 Ca 0.16 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 1hfy h PRO 24 Cb 0.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 1hfy h PRO 24 CO -0.19 0.02 -0.67 1.49 -0.21 0.00 0.00 178.00 178.44 1hfy h GLU 25 N 0.00 0.00 -0.21 1.05 4.81 -1.55 -2.98 114.58 115.70 1hfy h GLU 25 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1hfy h GLU 25 Cb 0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1hfy h GLU 25 CO 0.00 0.67 -0.27 -1.49 -0.73 0.00 0.00 179.01 177.19 1hfy h TRP 26 N 0.00 0.67 -0.16 0.92 4.06 0.09 -2.30 115.95 119.22 1hfy h TRP 26 Ca -0.01 -0.22 -0.07 0.00 2.06 0.00 0.00 58.89 60.66 1hfy h TRP 26 Cb 1.42 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 29.43 1hfy h TRP 26 CO 0.00 0.93 -0.20 -0.24 -3.56 0.00 0.00 178.44 175.37 1hfy h VAL 27 N 0.22 1.22 -0.34 1.49 3.04 -1.37 -1.25 116.25 119.27 1hfy h VAL 27 Ca 0.02 -1.02 -0.10 0.00 -1.01 0.00 0.00 66.70 64.59 1hfy h VAL 27 Cb 0.85 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 31.44 1hfy h VAL 27 CO 0.06 0.31 -0.19 0.00 -1.01 0.00 0.00 177.57 176.75 1hfy h THR 29 N 0.50 1.24 -0.38 0.00 2.02 -1.07 -1.75 112.91 113.48 1hfy h THR 29 Ca 0.07 -0.86 -0.12 0.00 0.77 0.00 0.00 66.41 66.28 1hfy h THR 29 Cb 0.74 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1hfy h THR 29 CO 0.05 0.33 -0.25 0.00 0.37 0.00 0.00 175.52 176.02 1hfy h ALA 30 N 1.24 0.84 -0.03 6.16 0.00 -1.05 -1.72 119.26 124.71 1hfy h ALA 30 Ca 0.21 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1hfy h ALA 30 Cb 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1hfy h ALA 30 CO -0.01 0.64 0.01 0.35 0.00 0.00 0.00 179.25 180.24 1hfy h PHE 31 N 0.67 0.04 0.00 0.00 3.57 -0.73 -2.51 116.94 117.99 1hfy h PHE 31 Ca 0.09 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1hfy h PHE 31 Cb 0.77 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1hfy h PHE 31 CO 0.04 0.21 0.00 0.45 -2.23 0.00 0.00 178.31 176.78 1hfy h HIS 32 N -0.14 0.00 0.00 0.41 3.86 -1.32 -2.25 115.15 115.71 1hfy h HIS 32 Ca 0.01 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.03 1hfy h HIS 32 Cb 0.19 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 1hfy h HIS 32 CO -0.01 0.00 -1.02 1.15 0.86 0.00 0.00 177.93 178.91 1hfy h THR 33 N 0.00 1.06 0.00 2.45 2.02 -1.19 -3.44 112.91 113.81 1hfy h THR 33 Ca 0.00 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 64.99 1hfy h THR 33 Cb 0.53 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1hfy h THR 33 CO 0.00 0.36 0.00 -1.54 0.37 0.00 0.00 175.52 174.71 1hfy n SER 34 N -4.47 0.11 -1.62 4.18 3.41 -0.97 -4.90 113.62 109.35 1hfy n SER 34 Ca -0.28 -1.03 -0.15 0.00 -0.26 0.00 0.00 58.87 57.15 1hfy n SER 34 Cb 0.64 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1hfy n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hfy n GLY 35 N -0.02 0.19 2.13 5.00 0.00 -0.85 -2.47 105.19 109.18 1hfy n GLY 35 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 1hfy n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hfy n TYR 36 N -3.65 -0.15 -3.56 1.61 4.01 -1.22 -4.81 117.16 109.39 1hfy n TYR 36 Ca -0.18 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.15 1hfy n TYR 36 Cb 0.61 -1.59 -0.10 0.00 -0.31 0.00 0.00 39.34 37.94 1hfy n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1hfy s ASP 37 N -2.83 5.79 0.65 7.72 2.15 -1.03 -0.76 116.67 128.36 1hfy s ASP 37 Ca 0.00 -1.20 0.42 0.00 0.43 0.00 0.00 52.55 52.21 1hfy s ASP 37 Cb 0.00 -2.04 2.24 0.00 -0.30 0.00 0.00 42.92 42.82 1hfy s ASP 37 CO 0.00 -0.48 2.31 0.71 -0.17 0.00 0.00 175.17 177.54 1hfy h THR 38 N 5.91 0.03 -0.28 1.71 1.35 -1.79 -2.13 112.91 117.71 1hfy h THR 38 Ca -0.25 -0.09 -0.02 0.00 -0.55 0.00 0.00 66.41 65.50 1hfy h THR 38 Cb 1.10 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 1hfy h THR 38 CO 0.73 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.01 1hfy n GLN 39 N -3.13 2.82 -2.32 4.72 6.02 -1.26 -3.79 117.38 120.45 1hfy n GLN 39 Ca -0.02 -2.88 -0.42 0.00 -0.01 0.00 0.00 57.00 53.66 1hfy n GLN 39 Cb 0.11 -1.85 -0.03 0.00 1.02 0.00 0.00 30.24 29.48 1hfy n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hfy s ALA 40 N -2.88 3.47 -0.11 -1.58 0.00 -0.81 -4.77 121.76 115.07 1hfy s ALA 40 Ca 0.43 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.38 1hfy s ALA 40 Cb 0.35 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1hfy s ALA 40 CO 0.08 -0.46 -0.14 0.42 0.00 0.00 0.00 175.76 175.66 1hfy s ILE 41 N 0.57 1.39 -0.09 0.00 1.01 -1.26 -0.76 121.20 122.06 1hfy s ILE 41 Ca 0.58 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.68 1hfy s ILE 41 Cb -0.33 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 40.86 1hfy s ILE 41 CO 0.33 0.42 -0.13 -0.69 0.00 0.00 0.00 174.94 174.87 1hfy s VAL 42 N 1.13 1.29 0.12 2.92 1.01 -0.93 -4.98 120.40 120.96 1hfy s VAL 42 Ca -0.04 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1hfy s VAL 42 Cb -0.14 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1hfy s VAL 42 CO -0.03 0.39 0.17 -1.10 0.00 0.00 0.00 175.10 174.53 1hfy s GLN 43 N 0.86 3.12 0.34 2.72 -0.21 -1.26 -1.20 119.66 124.03 1hfy s GLN 43 Ca -0.10 -0.68 0.03 0.00 0.02 0.00 0.00 55.36 54.63 1hfy s GLN 43 Cb -0.15 -2.81 -0.04 0.00 1.00 0.00 0.00 33.01 31.00 1hfy s GLN 43 CO 0.01 0.54 0.11 -0.80 -2.12 0.00 0.00 175.29 173.03 1hfy s ASN 44 N -2.85 2.21 0.11 5.90 0.01 0.69 -4.98 114.94 116.03 1hfy s ASN 44 Ca 0.32 -1.53 -0.21 0.00 -0.71 0.00 0.00 52.86 50.73 1hfy s ASN 44 Cb -0.11 0.27 -0.09 0.00 0.41 0.00 0.00 41.25 41.73 1hfy s ASN 44 CO 0.25 -0.81 1.76 -0.55 -1.51 0.00 0.00 177.10 176.24 1hfy h ASN 45 N 2.04 0.10 0.01 -1.22 -1.07 -2.05 -3.33 115.58 110.06 1hfy h ASN 45 Ca -0.37 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.00 1hfy h ASN 45 Cb 1.26 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 1hfy h ASN 45 CO 0.60 0.08 -0.00 -2.24 0.07 0.00 0.00 177.43 175.93 1hfy h ASP 46 N 0.14 -0.01 -3.55 6.14 2.03 -2.03 -3.49 116.42 115.65 1hfy h ASP 46 Ca 0.05 -0.83 -0.24 0.00 -0.73 0.00 0.00 57.03 55.28 1hfy h ASP 46 Cb 0.00 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.45 1hfy h ASP 46 CO -0.03 0.88 -0.20 -1.54 -1.03 0.00 0.00 179.24 177.32 1hfy n SER 47 N -4.66 1.33 -3.98 4.15 3.41 -1.25 -5.02 113.62 107.60 1hfy n SER 47 Ca -0.09 -1.91 -0.12 0.00 -0.26 0.00 0.00 58.87 56.49 1hfy n SER 47 Cb 0.40 0.38 -0.12 0.00 -0.26 0.00 0.00 64.21 64.61 1hfy n SER 47 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1hfy s THR 48 N -2.11 0.28 -0.02 6.66 2.01 -1.26 -0.22 115.64 120.98 1hfy s THR 48 Ca 0.07 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.46 1hfy s THR 48 Cb 0.00 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 72.16 1hfy s THR 48 CO 0.05 -0.26 -0.20 -1.61 -0.69 0.00 0.00 174.62 171.92 1hfy s GLU 49 N -0.98 1.71 0.06 4.92 2.02 -0.34 -1.97 118.70 124.12 1hfy s GLU 49 Ca -0.08 -0.70 0.07 0.00 0.02 0.00 0.00 54.97 54.28 1hfy s GLU 49 Cb -0.07 -1.60 -0.03 0.00 0.10 0.00 0.00 34.13 32.53 1hfy s GLU 49 CO -0.00 0.39 -0.18 0.71 0.02 0.00 0.00 175.26 176.19 1hfy s TYR 50 N -0.34 2.56 0.00 1.61 1.51 0.03 -2.19 117.35 120.53 1hfy s TYR 50 Ca 0.04 -0.25 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1hfy s TYR 50 Cb -0.09 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1hfy s TYR 50 CO 0.00 0.28 0.00 0.41 -1.11 0.00 0.00 175.55 175.13 1hfy n GLY 51 N 1.39 0.41 0.35 0.71 0.00 0.06 -1.12 105.19 107.00 1hfy n GLY 51 Ca -0.16 -0.79 0.18 0.00 0.00 0.00 0.00 46.02 45.25 1hfy n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hfy h LEU 52 N 0.00 0.65 -2.20 0.99 5.85 -1.64 -1.46 115.31 117.50 1hfy h LEU 52 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1hfy h LEU 52 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1hfy h LEU 52 CO 0.00 0.11 0.00 0.49 -0.34 0.00 0.00 178.44 178.70 1hfy n PHE 53 N -4.85 0.58 -3.96 1.25 3.72 -1.26 -4.18 117.46 108.76 1hfy n PHE 53 Ca 0.27 -0.29 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 1hfy n PHE 53 Cb 0.76 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.33 1hfy n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1hfy n GLN 54 N 1.34 -0.57 -2.77 -1.08 1.13 -0.55 -4.90 117.38 109.98 1hfy n GLN 54 Ca 0.20 0.23 -0.42 0.00 -1.94 0.00 0.00 57.00 55.07 1hfy n GLN 54 Cb 0.56 -2.85 -0.03 0.00 0.11 0.00 0.00 30.24 28.03 1hfy n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hfy s ILE 55 N -3.45 4.79 0.44 5.09 1.01 -0.27 -4.41 121.20 124.40 1hfy s ILE 55 Ca 0.44 1.86 -0.17 0.00 0.00 0.00 0.00 60.65 62.78 1hfy s ILE 55 Cb -0.22 -4.24 -0.09 0.00 0.01 0.00 0.00 42.46 37.92 1hfy s ILE 55 CO 0.94 -0.05 0.91 0.54 0.00 0.00 0.00 174.94 177.28 1hfy s ASN 56 N 1.17 6.74 -0.16 3.58 2.20 -1.26 -0.79 114.94 126.41 1hfy s ASN 56 Ca 0.43 1.51 0.07 0.00 -0.94 0.00 0.00 52.86 53.92 1hfy s ASN 56 Cb -0.16 -2.47 0.47 0.00 -2.00 0.00 0.00 41.25 37.08 1hfy s ASN 56 CO 0.12 -0.43 1.29 -0.46 -2.94 0.00 0.00 177.10 174.68 1hfy n ASN 57 N -1.06 3.73 -0.00 3.54 6.94 -0.83 -2.45 115.26 125.13 1hfy n ASN 57 Ca 0.06 -2.62 0.04 0.00 -0.02 0.00 0.00 54.58 52.03 1hfy n ASN 57 Cb 0.54 -0.63 -0.05 0.00 -2.36 0.00 0.00 39.78 37.28 1hfy n ASN 57 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1hfy n LYS 58 N 0.21 2.32 0.00 -3.83 2.85 -1.26 -4.64 118.16 113.81 1hfy n LYS 58 Ca 0.20 -0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.42 1hfy n LYS 58 Cb 0.88 -1.03 0.00 0.00 -0.65 0.00 0.00 35.03 34.23 1hfy n LYS 58 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1hfy n ILE 59 N -1.48 0.00 -0.12 0.58 2.08 -1.25 -3.47 119.36 115.69 1hfy n ILE 59 Ca -0.00 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 63.13 1hfy n ILE 59 Cb 0.17 -0.05 -0.12 0.00 -0.75 0.00 0.00 39.64 38.88 1hfy n ILE 59 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1hfy n TRP 60 N -0.97 0.08 -4.15 1.39 7.02 -1.02 -1.67 117.44 118.11 1hfy n TRP 60 Ca 0.00 0.02 -0.10 0.00 -1.02 0.00 0.00 57.50 56.40 1hfy n TRP 60 Cb 0.03 -1.01 -0.10 0.00 -2.42 0.00 0.00 31.31 27.81 1hfy n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1hfy s LYS 62 N -3.91 4.05 0.26 0.00 2.20 0.66 -4.39 119.74 118.62 1hfy s LYS 62 Ca 0.14 0.23 0.06 0.00 -0.36 0.00 0.00 55.97 56.05 1hfy s LYS 62 Cb 0.07 -3.33 -0.06 0.00 -1.51 0.00 0.00 37.83 33.01 1hfy s LYS 62 CO -0.04 0.45 -0.06 0.34 -0.36 0.00 0.00 175.35 175.68 1hfy s ASP 63 N -0.24 2.65 0.14 1.43 2.15 -1.04 -1.64 116.67 120.12 1hfy s ASP 63 Ca 0.20 -1.17 0.05 0.00 0.43 0.00 0.00 52.55 52.07 1hfy s ASP 63 Cb -0.14 -0.15 -0.12 0.00 -0.30 0.00 0.00 42.92 42.21 1hfy s ASP 63 CO 0.08 -0.33 1.32 0.44 -0.17 0.00 0.00 175.17 176.51 1hfy h ASP 64 N 2.33 0.09 -0.56 -0.34 3.32 -1.99 -2.63 116.42 116.65 1hfy h ASP 64 Ca -0.40 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1hfy h ASP 64 Cb 1.23 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1hfy h ASP 64 CO 0.66 1.00 0.28 -0.61 -1.72 0.00 0.00 179.24 178.85 1hfy h GLN 65 N 0.02 0.83 -2.35 3.56 4.15 -1.98 -3.38 115.11 115.97 1hfy h GLN 65 Ca -0.03 -0.11 -0.42 0.00 0.77 0.00 0.00 58.65 58.86 1hfy h GLN 65 Cb 1.67 -0.16 -0.35 0.00 0.21 0.00 0.00 27.48 28.85 1hfy h GLN 65 CO 0.13 0.65 -0.71 1.21 -1.93 0.00 0.00 178.83 178.18 1hfy s ASN 66 N -6.52 2.26 0.26 -0.69 2.47 -1.09 -4.96 114.94 106.66 1hfy s ASN 66 Ca -0.10 -1.21 0.15 0.00 0.42 0.00 0.00 52.86 52.12 1hfy s ASN 66 Cb 0.17 0.17 0.04 0.00 -1.45 0.00 0.00 41.25 40.18 1hfy s ASN 66 CO 0.78 -0.37 1.39 -0.65 -3.72 0.00 0.00 177.10 174.53 1hfy h PRO 67 N 7.96 0.00 -0.99 0.43 0.11 -1.66 -2.75 132.00 135.09 1hfy h PRO 67 Ca -0.10 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 1hfy h PRO 67 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1hfy h PRO 67 CO 0.33 0.49 0.03 0.72 -0.21 0.00 0.00 178.00 179.37 1hfy n HIS 68 N -3.20 0.21 -2.25 0.65 8.25 -1.26 -4.90 115.22 112.72 1hfy n HIS 68 Ca 0.01 -0.39 -0.37 0.00 -0.26 0.00 0.00 57.72 56.71 1hfy n HIS 68 Cb 0.75 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.61 1hfy n HIS 68 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1hfy s SER 69 N 0.47 6.18 0.50 0.41 0.15 -1.24 -4.91 113.70 115.25 1hfy s SER 69 Ca 0.04 2.31 0.21 0.00 0.70 0.00 0.00 55.95 59.22 1hfy s SER 69 Cb 0.04 -2.60 1.29 0.00 -1.71 0.00 0.00 66.02 63.04 1hfy s SER 69 CO 0.01 -0.91 2.07 -0.09 1.20 0.00 0.00 173.24 175.51 1hfy h ARG 70 N 2.07 0.00 -6.35 5.44 2.43 -1.74 -3.47 114.38 112.76 1hfy h ARG 70 Ca -0.49 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.20 1hfy h ARG 70 Cb 1.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1hfy h ARG 70 CO 0.60 0.13 -0.85 -1.71 -1.51 0.00 0.00 179.97 176.62 1hfy n ASN 71 N -4.02 -1.10 -0.35 -3.80 5.15 -0.91 -4.88 115.26 105.35 1hfy n ASN 71 Ca -0.02 -0.93 0.05 0.00 -0.60 0.00 0.00 54.58 53.08 1hfy n ASN 71 Cb 0.21 -3.45 0.20 0.00 -0.53 0.00 0.00 39.78 36.22 1hfy n ASN 71 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1hfy h ILE 72 N -1.85 0.97 0.00 -1.44 2.04 -1.38 0.18 117.51 116.03 1hfy h ILE 72 Ca -0.62 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1hfy h ILE 72 Cb 1.37 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1hfy h ILE 72 CO 0.62 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.95 1hfy n ASN 74 N -0.96 -2.35 -3.70 0.00 4.05 0.64 -4.96 115.26 107.98 1hfy n ASN 74 Ca 0.20 -1.15 -0.10 0.00 0.45 0.00 0.00 54.58 53.98 1hfy n ASN 74 Cb 0.09 -2.46 -0.05 0.00 1.23 0.00 0.00 39.78 38.59 1hfy n ASN 74 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1hfy s ILE 75 N -3.80 0.08 0.07 -1.44 2.07 -1.26 -5.05 121.20 111.86 1hfy s ILE 75 Ca 0.26 -0.75 -0.23 0.00 -1.41 0.00 0.00 60.65 58.51 1hfy s ILE 75 Cb -0.12 -1.27 -0.06 0.00 0.13 0.00 0.00 42.46 41.14 1hfy s ILE 75 CO 0.93 -0.36 0.71 -0.94 -1.91 0.00 0.00 174.94 173.37 1hfy s SER 76 N -2.83 7.19 0.53 4.50 1.04 -1.26 -0.24 113.70 122.62 1hfy s SER 76 Ca 0.05 1.41 0.32 0.00 0.48 0.00 0.00 55.95 58.21 1hfy s SER 76 Cb 0.02 -2.44 1.46 0.00 0.10 0.00 0.00 66.02 65.16 1hfy s SER 76 CO -0.10 0.11 1.86 0.00 0.98 0.00 0.00 173.24 176.09 1hfy n ASP 78 N -4.28 0.00 0.06 0.00 5.75 -1.26 -1.60 116.55 115.22 1hfy n ASP 78 Ca 0.20 -0.23 0.12 0.00 -0.01 0.00 0.00 54.79 54.88 1hfy n ASP 78 Cb 1.01 -0.18 0.48 0.00 -1.03 0.00 0.00 41.12 41.40 1hfy n ASP 78 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1hfy n LYS 79 N -1.18 0.12 -0.36 0.11 4.76 -0.49 -2.48 118.16 118.64 1hfy n LYS 79 Ca 0.11 0.17 0.08 0.00 -2.87 0.00 0.00 58.31 55.81 1hfy n LYS 79 Cb 0.12 -1.66 0.25 0.00 -1.84 0.00 0.00 35.03 31.90 1hfy n LYS 79 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1hfy n PHE 80 N -1.88 0.91 -0.03 2.13 3.72 -0.63 -4.15 117.46 117.53 1hfy n PHE 80 Ca 0.05 -0.40 0.02 0.00 -0.05 0.00 0.00 57.45 57.08 1hfy n PHE 80 Cb 0.33 -0.10 0.05 0.00 -0.94 0.00 0.00 39.48 38.83 1hfy n PHE 80 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1hfy n LEU 81 N 0.93 2.21 0.00 4.37 4.77 -1.04 -3.41 117.00 124.83 1hfy n LEU 81 Ca 0.19 -1.84 -0.07 0.00 -0.03 0.00 0.00 56.01 54.26 1hfy n LEU 81 Cb 0.57 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1hfy n LEU 81 CO 0.15 0.54 0.11 -0.90 -1.33 0.00 0.00 177.39 175.97 1hfy n ASP 82 N -0.03 0.90 0.03 -1.43 5.68 -1.26 -4.53 116.55 115.91 1hfy n ASP 82 Ca 0.04 -1.57 0.13 0.00 -0.50 0.00 0.00 54.79 52.89 1hfy n ASP 82 Cb 0.29 -0.13 0.34 0.00 -1.14 0.00 0.00 41.12 40.48 1hfy n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1hfy n ASP 83 N -2.62 0.46 -4.54 -1.12 8.00 -1.26 -4.75 116.55 110.73 1hfy n ASP 83 Ca 0.05 0.13 -0.43 0.00 0.71 0.00 0.00 54.79 55.25 1hfy n ASP 83 Cb 0.22 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 1hfy n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hfy s ASP 84 N -3.50 6.42 0.00 -2.24 -1.08 -1.26 -4.92 116.67 110.09 1hfy s ASP 84 Ca 0.10 -0.09 0.29 0.00 -0.52 0.00 0.00 52.55 52.33 1hfy s ASP 84 Cb 0.16 -2.42 1.21 0.00 -1.46 0.00 0.00 42.92 40.42 1hfy s ASP 84 CO 0.65 -1.03 1.88 0.18 0.52 0.00 0.00 175.17 177.38 1hfy n LEU 85 N 7.01 0.15 -0.21 -1.34 4.77 -1.26 -4.33 117.00 121.79 1hfy n LEU 85 Ca 0.03 0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 56.18 1hfy n LEU 85 Cb 0.48 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1hfy n LEU 85 CO 0.62 0.03 0.49 0.74 -1.33 0.00 0.00 177.39 177.94 1hfy h THR 86 N 0.10 0.00 0.00 -5.08 2.02 -1.94 0.11 112.91 108.13 1hfy h THR 86 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1hfy h THR 86 Cb 0.42 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1hfy h THR 86 CO 0.00 0.00 -0.14 -2.24 0.37 0.00 0.00 175.52 173.51 1hfy h ASP 87 N -0.28 0.00 -0.35 4.18 3.04 -1.92 -2.65 116.42 118.45 1hfy h ASP 87 Ca 0.09 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.76 1hfy h ASP 87 Cb 0.53 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.81 1hfy h ASP 87 CO -0.67 0.14 -0.25 0.44 -2.04 0.00 0.00 179.24 176.86 1hfy h ASP 88 N 0.00 0.82 -0.49 4.15 5.19 -1.10 -2.36 116.42 122.65 1hfy h ASP 88 Ca -0.00 -0.44 -0.10 0.00 -0.62 0.00 0.00 57.03 55.87 1hfy h ASP 88 Cb 0.50 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 1hfy h ASP 88 CO 0.02 1.09 -0.07 0.40 -3.12 0.00 0.00 179.24 177.55 1hfy h ILE 89 N 0.57 1.26 -0.45 0.35 2.04 -0.84 0.51 117.51 120.95 1hfy h ILE 89 Ca 0.07 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.70 1hfy h ILE 89 Cb 0.81 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1hfy h ILE 89 CO 0.07 0.42 0.13 0.58 0.00 0.00 0.00 178.15 179.35 1hfy h VAL 90 N 0.86 1.23 -0.16 1.67 2.07 -1.39 -2.43 116.25 118.08 1hfy h VAL 90 Ca 0.14 -0.76 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 1hfy h VAL 90 Cb 0.60 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1hfy h VAL 90 CO 0.04 0.27 -0.50 0.00 0.02 0.00 0.00 177.57 177.40 1hfy h ALA 92 N 1.11 1.78 -0.21 0.00 0.00 -0.65 -2.57 119.26 118.71 1hfy h ALA 92 Ca 0.01 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1hfy h ALA 92 Cb 1.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1hfy h ALA 92 CO 0.09 0.17 -0.52 0.87 0.00 0.00 0.00 179.25 179.86 1hfy h LYS 93 N 0.05 0.59 -0.24 0.00 1.57 -1.37 -2.57 116.57 114.59 1hfy h LYS 93 Ca 0.01 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.38 1hfy h LYS 93 Cb 0.20 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1hfy h LYS 93 CO 0.01 0.96 -0.06 0.87 -0.57 0.00 0.00 179.45 180.67 1hfy h LYS 94 N 0.46 0.46 -0.83 3.15 1.57 -1.51 -1.43 116.57 118.44 1hfy h LYS 94 Ca 0.02 -0.18 0.10 0.00 -1.87 0.00 0.00 60.65 58.72 1hfy h LYS 94 Cb 1.06 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.27 1hfy h LYS 94 CO 0.10 0.69 0.47 0.82 -0.57 0.00 0.00 179.45 180.96 1hfy h ILE 95 N 0.20 0.88 0.31 1.86 2.04 -1.47 0.31 117.51 121.65 1hfy h ILE 95 Ca 0.06 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1hfy h ILE 95 Cb 0.52 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1hfy h ILE 95 CO 0.02 0.14 -0.15 0.25 0.00 0.00 0.00 178.15 178.42 1hfy h LEU 96 N 0.77 -0.35 -1.46 1.44 5.85 -1.17 0.20 115.31 120.59 1hfy h LEU 96 Ca 0.41 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 59.04 1hfy h LEU 96 Cb 0.41 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1hfy h LEU 96 CO -0.27 -0.18 -0.08 0.44 -0.34 0.00 0.00 178.44 178.01 1hfy h ASP 97 N -0.50 0.23 0.04 1.25 3.32 -0.61 0.11 116.42 120.27 1hfy h ASP 97 Ca -0.04 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.79 1hfy h ASP 97 Cb 0.37 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1hfy h ASP 97 CO 0.07 0.35 -0.91 0.11 -1.72 0.00 0.00 179.24 177.14 1hfy h LYS 98 N 0.24 0.08 0.00 3.56 6.56 -0.34 -3.44 116.57 123.24 1hfy h LYS 98 Ca 0.05 -0.14 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1hfy h LYS 98 Cb 0.31 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 1hfy h LYS 98 CO 0.02 1.06 -0.61 1.33 -2.06 0.00 0.00 179.45 179.19 1hfy n VAL 99 N -4.33 0.00 0.00 0.50 0.24 0.66 -5.08 118.33 110.32 1hfy n VAL 99 Ca -0.23 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1hfy n VAL 99 Cb 0.69 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 1hfy n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hfy n GLY 100 N 1.68 -0.56 0.35 7.63 0.00 0.38 -4.51 105.19 110.16 1hfy n GLY 100 Ca 0.00 -1.72 0.18 0.00 0.00 0.00 0.00 46.02 44.48 1hfy n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hfy h ILE 101 N 0.00 0.35 0.00 -0.61 6.09 -1.87 -1.80 117.51 119.66 1hfy h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1hfy h ILE 101 Cb 0.00 0.79 0.00 0.00 0.47 0.00 0.00 36.82 38.08 1hfy h ILE 101 CO 0.00 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.67 1hfy n ASN 102 N -3.60 0.00 -0.15 2.19 4.13 -1.26 -1.70 115.26 114.87 1hfy n ASN 102 Ca 0.02 0.17 -0.06 0.00 1.68 0.00 0.00 54.58 56.38 1hfy n ASN 102 Cb 0.37 -0.32 0.03 0.00 -1.54 0.00 0.00 39.78 38.32 1hfy n ASN 102 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1hfy h TYR 103 N 0.00 0.53 0.09 3.10 3.20 -1.57 -3.31 116.97 119.01 1hfy h TYR 103 Ca 0.00 0.02 -0.37 0.00 3.14 0.00 0.00 58.73 61.52 1hfy h TYR 103 Cb 0.13 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 1hfy h TYR 103 CO 0.00 0.31 -2.07 0.91 -1.64 0.00 0.00 178.16 175.67 1hfy n TRP 104 N -4.82 0.97 -3.61 -3.82 8.01 -0.71 -4.91 117.44 108.56 1hfy n TRP 104 Ca 0.03 0.22 -0.38 0.00 -1.31 0.00 0.00 57.50 56.05 1hfy n TRP 104 Cb 0.07 -1.13 -0.11 0.00 -2.01 0.00 0.00 31.31 28.13 1hfy n TRP 104 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1hfy s LEU 105 N -6.99 4.00 0.41 -0.99 1.02 -0.69 -4.92 118.68 110.52 1hfy s LEU 105 Ca -0.26 -0.09 0.13 0.00 0.02 0.00 0.00 54.13 53.93 1hfy s LEU 105 Cb 0.07 -2.09 0.86 0.00 0.02 0.00 0.00 46.19 45.05 1hfy s LEU 105 CO 0.72 -0.07 1.92 0.00 0.02 0.00 0.00 176.35 178.93 1hfy h ALA 106 N 8.37 1.55 -3.51 4.21 0.00 -1.89 -3.37 119.26 124.62 1hfy h ALA 106 Ca -0.35 -0.24 -0.30 0.00 0.00 0.00 0.00 54.91 54.02 1hfy h ALA 106 Cb 1.18 -0.05 -0.34 0.00 0.00 0.00 0.00 17.79 18.59 1hfy h ALA 106 CO 0.56 0.34 -0.73 -1.01 0.00 0.00 0.00 179.25 178.41 1hfy s HIS 107 N -4.46 0.03 0.23 0.00 3.76 -1.26 -5.07 115.29 108.52 1hfy s HIS 107 Ca -0.04 0.14 -0.05 0.00 -0.15 0.00 0.00 55.06 54.96 1hfy s HIS 107 Cb 0.15 -0.25 0.23 0.00 1.11 0.00 0.00 32.58 33.83 1hfy s HIS 107 CO 0.71 -0.09 1.74 -0.22 -0.85 0.00 0.00 174.74 176.03 1hfy h LYS 108 N 7.34 0.98 -0.38 1.40 3.64 -1.97 -2.91 116.57 124.67 1hfy h LYS 108 Ca -0.45 -0.24 0.11 0.00 -1.27 0.00 0.00 60.65 58.80 1hfy h LYS 108 Cb 1.12 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 1hfy h LYS 108 CO 0.47 0.90 0.57 0.00 -2.27 0.00 0.00 179.45 179.12 1hfy h ALA 109 N 1.18 2.05 -0.79 5.00 0.00 -1.97 0.74 119.26 125.47 1hfy h ALA 109 Ca 0.19 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.26 1hfy h ALA 109 Cb 0.40 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1hfy h ALA 109 CO 0.01 -0.76 0.53 1.25 0.00 0.00 0.00 179.25 180.28 1hfy h LEU 110 N 0.00 0.35 -4.33 0.00 5.85 -1.95 -2.41 115.31 112.81 1hfy h LEU 110 Ca 0.18 0.02 -0.51 0.00 0.84 0.00 0.00 57.88 58.41 1hfy h LEU 110 Cb 1.31 -0.04 -0.42 0.00 0.37 0.00 0.00 40.66 41.88 1hfy h LEU 110 CO -0.00 0.17 -0.86 0.00 -0.34 0.00 0.00 178.44 177.41 1hfy n SER 112 N -0.55 0.08 -4.79 0.00 3.41 -0.91 -4.83 113.62 106.03 1hfy n SER 112 Ca 0.35 -0.36 -0.33 0.00 -0.26 0.00 0.00 58.87 58.27 1hfy n SER 112 Cb 0.82 0.33 -0.07 0.00 -0.26 0.00 0.00 64.21 65.04 1hfy n SER 112 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1hfy s GLU 113 N -0.33 3.10 -1.65 4.33 2.02 -1.25 -4.53 118.70 120.39 1hfy s GLU 113 Ca 0.00 -0.45 -0.16 0.00 0.02 0.00 0.00 54.97 54.38 1hfy s GLU 113 Cb 0.00 -2.89 0.13 0.00 0.10 0.00 0.00 34.13 31.48 1hfy s GLU 113 CO 0.00 0.66 0.81 1.63 0.02 0.00 0.00 175.26 178.38 1hfy n LYS 114 N 1.30 -3.72 0.26 1.61 4.76 -1.26 -4.83 118.16 116.28 1hfy n LYS 114 Ca -0.14 0.43 0.18 0.00 -2.87 0.00 0.00 58.31 55.91 1hfy n LYS 114 Cb 0.53 -5.15 0.89 0.00 -1.84 0.00 0.00 35.03 29.46 1hfy n LYS 114 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1hfy h LEU 115 N -1.66 0.00 -0.46 -0.35 3.38 -1.93 -1.74 115.31 112.54 1hfy h LEU 115 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1hfy h LEU 115 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1hfy h LEU 115 CO 0.75 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.38 1hfy n ASP 116 N -3.37 0.32 0.19 -0.43 5.75 -1.26 -2.10 116.55 115.66 1hfy n ASP 116 Ca 0.00 0.60 0.14 0.00 -0.01 0.00 0.00 54.79 55.52 1hfy n ASP 116 Cb 0.33 -0.66 0.53 0.00 -1.03 0.00 0.00 41.12 40.28 1hfy n ASP 116 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 1hfy h GLN 117 N 0.00 0.00 -0.01 0.11 3.07 -1.69 -2.63 115.11 113.96 1hfy h GLN 117 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1hfy h GLN 117 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.78 1hfy h GLN 117 CO 0.00 0.00 -0.11 0.91 0.09 0.00 0.00 178.83 179.72 1hfy n TRP 118 N -2.63 0.00 -2.54 0.06 7.02 -0.89 -4.91 117.44 113.55 1hfy n TRP 118 Ca 0.02 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.09 1hfy n TRP 118 Cb 0.31 -0.05 -0.04 0.00 -2.42 0.00 0.00 31.31 29.11 1hfy n TRP 118 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1hfy s LEU 119 N -2.21 4.44 0.00 -0.99 1.43 -0.99 -4.80 118.68 115.57 1hfy s LEU 119 Ca 0.32 1.98 0.18 0.00 -1.03 0.00 0.00 54.13 55.58 1hfy s LEU 119 Cb 0.20 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.98 1hfy s LEU 119 CO 0.41 -0.27 1.08 0.00 0.23 0.00 0.00 176.35 177.81