#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hnf n ASN 5 N 0.00 -5.45 -4.87 1.09 6.94 -1.26 -5.03 115.26 106.68 1hnf n ASN 5 Ca 0.00 0.48 -0.33 0.00 -0.02 0.00 0.00 54.58 54.71 1hnf n ASN 5 Cb 0.00 -4.64 -0.05 0.00 -2.36 0.00 0.00 39.78 32.73 1hnf n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hnf s ALA 6 N -2.67 3.63 -0.48 -2.53 0.00 -1.26 -4.78 121.76 113.68 1hnf s ALA 6 Ca 0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 1hnf s ALA 6 Cb 0.00 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.79 1hnf s ALA 6 CO 0.00 0.54 0.79 -1.17 0.00 0.00 0.00 175.76 175.93 1hnf s LEU 7 N -2.52 4.31 0.34 0.00 2.96 -0.26 -4.75 118.68 118.76 1hnf s LEU 7 Ca 0.43 -0.26 -0.29 0.00 -0.22 0.00 0.00 54.13 53.78 1hnf s LEU 7 Cb -0.12 -2.86 -0.11 0.00 0.50 0.00 0.00 46.19 43.59 1hnf s LEU 7 CO 0.21 -0.98 1.50 1.21 -1.32 0.00 0.00 176.35 176.98 1hnf n GLU 8 N 6.80 2.60 -3.86 1.98 2.13 -1.26 -1.67 120.64 127.36 1hnf n GLU 8 Ca 0.01 0.92 -0.12 0.00 0.66 0.00 0.00 57.16 58.62 1hnf n GLU 8 Cb 0.48 -2.65 -0.14 0.00 0.27 0.00 0.00 31.44 29.40 1hnf n GLU 8 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1hnf s THR 9 N -0.70 -0.01 -0.10 6.31 2.01 -0.85 -4.86 115.64 117.44 1hnf s THR 9 Ca 0.58 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.58 1hnf s THR 9 Cb -0.50 -0.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1hnf s THR 9 CO 0.58 0.01 0.01 0.26 -0.69 0.00 0.00 174.62 174.79 1hnf s TRP 10 N 0.14 3.17 0.07 4.92 0.52 -1.26 -1.28 118.94 125.21 1hnf s TRP 10 Ca -0.01 0.15 0.01 0.00 0.02 0.00 0.00 56.10 56.26 1hnf s TRP 10 Cb -0.02 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 1hnf s TRP 10 CO -0.00 0.40 -0.05 0.20 0.02 0.00 0.00 176.95 177.52 1hnf s GLY 11 N -0.66 0.58 -0.21 0.98 0.00 -0.88 -4.98 107.32 102.15 1hnf s GLY 11 Ca 0.11 -1.15 -0.07 0.00 0.00 0.00 0.00 44.72 43.60 1hnf s GLY 11 CO 0.02 -1.25 0.06 0.00 0.00 0.00 0.00 173.10 171.93 1hnf s ALA 12 N -3.24 3.27 -0.14 3.20 0.00 -1.26 -1.63 121.76 121.96 1hnf s ALA 12 Ca 0.05 -0.92 -0.36 0.00 0.00 0.00 0.00 51.96 50.72 1hnf s ALA 12 Cb 0.03 -1.98 -0.13 0.00 0.00 0.00 0.00 23.12 21.04 1hnf s ALA 12 CO -0.06 -0.12 1.81 -0.11 0.00 0.00 0.00 175.76 177.29 1hnf n LEU 13 N 4.16 3.04 0.00 0.00 7.94 -0.37 0.15 117.00 131.93 1hnf n LEU 13 Ca -0.16 1.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.75 1hnf n LEU 13 Cb 0.52 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 43.18 1hnf n LEU 13 CO 0.33 -0.21 0.00 0.61 -1.11 0.00 0.00 177.39 177.01 1hnf n GLY 14 N 4.27 3.34 3.99 -3.96 0.00 -0.63 -4.66 105.19 107.54 1hnf n GLY 14 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 1hnf n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hnf s GLN 15 N -0.99 2.71 0.50 1.61 -1.52 0.12 -4.37 119.66 117.72 1hnf s GLN 15 Ca 0.00 -1.35 0.02 0.00 -1.95 0.00 0.00 55.36 52.08 1hnf s GLN 15 Cb 0.00 -2.68 0.02 0.00 -0.22 0.00 0.00 33.01 30.13 1hnf s GLN 15 CO 0.00 -0.34 0.72 -0.51 -0.25 0.00 0.00 175.29 174.91 1hnf s ASP 16 N -4.36 5.51 0.05 5.90 1.01 -1.26 -0.69 116.67 122.83 1hnf s ASP 16 Ca 0.55 0.06 -0.13 0.00 0.71 0.00 0.00 52.55 53.73 1hnf s ASP 16 Cb -0.08 -1.10 0.02 0.00 1.01 0.00 0.00 42.92 42.77 1hnf s ASP 16 CO 0.33 -0.94 0.30 -0.51 0.21 0.00 0.00 175.17 174.55 1hnf s ILE 17 N -2.65 0.08 -0.10 0.77 2.07 -0.87 -4.76 121.20 115.75 1hnf s ILE 17 Ca 0.54 -0.70 0.04 0.00 -1.41 0.00 0.00 60.65 59.11 1hnf s ILE 17 Cb -0.10 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.54 1hnf s ILE 17 CO 0.38 -0.39 -0.23 0.20 -1.91 0.00 0.00 174.94 172.99 1hnf s ASN 18 N -2.09 2.97 -0.33 4.50 -0.87 -1.26 -1.73 114.94 116.13 1hnf s ASN 18 Ca -0.05 -0.54 -0.09 0.00 -1.57 0.00 0.00 52.86 50.61 1hnf s ASN 18 Cb -0.01 -1.36 0.01 0.00 -0.02 0.00 0.00 41.25 39.88 1hnf s ASN 18 CO -0.04 0.14 0.14 -0.76 -2.57 0.00 0.00 177.10 174.02 1hnf s LEU 19 N 0.44 4.23 0.15 0.60 1.43 -0.27 -4.97 118.68 120.28 1hnf s LEU 19 Ca -0.17 -0.76 0.08 0.00 -1.03 0.00 0.00 54.13 52.25 1hnf s LEU 19 Cb -0.17 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1hnf s LEU 19 CO 0.07 -0.26 -0.11 -1.81 0.23 0.00 0.00 176.35 174.47 1hnf s ASP 20 N 1.55 4.22 -0.33 2.29 1.01 -1.26 -1.82 116.67 122.33 1hnf s ASP 20 Ca 0.03 -0.52 0.02 0.00 0.71 0.00 0.00 52.55 52.79 1hnf s ASP 20 Cb -0.18 -0.72 0.10 0.00 1.01 0.00 0.00 42.92 43.13 1hnf s ASP 20 CO 0.05 0.14 0.07 0.27 0.21 0.00 0.00 175.17 175.91 1hnf s ILE 21 N -1.45 1.80 0.28 0.77 -0.00 -1.26 -4.93 121.20 116.41 1hnf s ILE 21 Ca 0.22 -2.05 0.11 0.00 -0.00 0.00 0.00 60.65 58.93 1hnf s ILE 21 Cb -0.10 -2.34 -0.02 0.00 -0.00 0.00 0.00 42.46 40.00 1hnf s ILE 21 CO 0.14 -0.63 1.63 -0.65 -0.00 0.00 0.00 174.94 175.42 1hnf h PRO 22 N 7.74 0.00 0.00 0.37 0.11 -1.99 -2.90 132.00 135.33 1hnf h PRO 22 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1hnf h PRO 22 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1hnf h PRO 22 CO 0.51 0.60 0.00 0.45 -0.21 0.00 0.00 178.00 179.35 1hnf n SER 23 N -3.82 0.00 -4.65 -2.05 2.88 -1.26 -4.64 113.62 100.08 1hnf n SER 23 Ca -0.01 0.21 -0.23 0.00 -1.33 0.00 0.00 58.87 57.51 1hnf n SER 23 Cb 0.60 -0.24 -0.07 0.00 -0.75 0.00 0.00 64.21 63.75 1hnf n SER 23 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1hnf s PHE 24 N -2.48 2.66 -0.30 0.66 5.36 -1.10 -5.11 117.98 117.68 1hnf s PHE 24 Ca 0.01 -0.28 -0.01 0.00 -0.96 0.00 0.00 56.93 55.69 1hnf s PHE 24 Cb 0.01 -1.30 0.19 0.00 -0.34 0.00 0.00 43.02 41.58 1hnf s PHE 24 CO 0.02 0.56 0.66 -1.14 -1.46 0.00 0.00 175.22 173.85 1hnf s GLN 25 N -3.70 0.52 1.09 10.12 2.00 -1.26 -5.02 119.66 123.41 1hnf s GLN 25 Ca 0.33 0.81 -0.12 0.00 -2.00 0.00 0.00 55.36 54.37 1hnf s GLN 25 Cb -0.05 0.44 0.23 0.00 0.80 0.00 0.00 33.01 34.43 1hnf s GLN 25 CO 0.20 -0.67 0.97 -0.12 -0.50 0.00 0.00 175.29 175.17 1hnf n MET 26 N 5.42 -1.76 -0.99 1.67 1.56 -1.26 -5.05 117.12 116.71 1hnf n MET 26 Ca 0.00 -0.47 0.00 0.00 -0.27 0.00 0.00 57.70 56.96 1hnf n MET 26 Cb 0.52 -2.19 0.00 0.00 2.15 0.00 0.00 33.22 33.70 1hnf n MET 26 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1hnf n SER 27 N -4.42 0.00 -0.04 6.12 3.41 -1.26 -5.07 113.62 112.36 1hnf n SER 27 Ca 0.06 -0.65 -0.13 0.00 -0.26 0.00 0.00 58.87 57.88 1hnf n SER 27 Cb 0.54 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 1hnf n SER 27 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1hnf h ASP 28 N 0.00 -0.01 -0.57 4.04 3.58 -2.05 -3.34 116.42 118.07 1hnf h ASP 28 Ca 0.00 -0.74 0.16 0.00 0.42 0.00 0.00 57.03 56.87 1hnf h ASP 28 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1hnf h ASP 28 CO 0.00 0.75 0.67 -0.78 -2.88 0.00 0.00 179.24 177.00 1hnf h ASP 29 N -0.79 0.00 -2.63 2.28 3.58 -1.99 -3.43 116.42 113.43 1hnf h ASP 29 Ca -0.00 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.90 1hnf h ASP 29 Cb 0.75 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 1hnf h ASP 29 CO 0.00 0.00 1.10 -0.63 -2.88 0.00 0.00 179.24 176.83 1hnf s ILE 30 N -4.52 3.61 -0.19 2.25 -1.09 -1.26 0.59 121.20 120.59 1hnf s ILE 30 Ca -0.04 0.72 0.18 0.00 -2.23 0.00 0.00 60.65 59.29 1hnf s ILE 30 Cb 0.14 -3.51 -0.25 0.00 -1.58 0.00 0.00 42.46 37.27 1hnf s ILE 30 CO 0.50 -0.11 0.09 -0.67 -1.23 0.00 0.00 174.94 173.53 1hnf n ASP 31 N 7.51 0.09 -3.68 3.58 2.03 -0.01 -4.81 116.55 121.26 1hnf n ASP 31 Ca 0.18 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.37 1hnf n ASP 31 Cb 0.43 1.05 -0.09 0.00 -0.72 0.00 0.00 41.12 41.80 1hnf n ASP 31 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1hnf s ASP 32 N -5.39 -0.64 -0.20 1.67 2.15 -0.85 -2.88 116.67 110.54 1hnf s ASP 32 Ca -0.10 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.04 1hnf s ASP 32 Cb 0.06 1.11 0.05 0.00 -0.30 0.00 0.00 42.92 43.84 1hnf s ASP 32 CO 0.82 -0.20 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.92 1hnf s ILE 33 N 0.81 1.41 -0.08 4.11 1.01 -0.86 -1.05 121.20 126.55 1hnf s ILE 33 Ca -0.04 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1hnf s ILE 33 Cb -0.05 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 1hnf s ILE 33 CO -0.06 0.08 -0.22 -0.75 0.00 0.00 0.00 174.94 173.99 1hnf s LYS 34 N 1.49 2.79 -0.14 2.79 2.20 0.38 -0.45 119.74 128.79 1hnf s LYS 34 Ca -0.02 -0.84 -0.01 0.00 -0.36 0.00 0.00 55.97 54.74 1hnf s LYS 34 Cb -0.17 -2.29 -0.01 0.00 -1.51 0.00 0.00 37.83 33.85 1hnf s LYS 34 CO -0.08 0.34 -0.11 -1.58 -0.36 0.00 0.00 175.35 173.56 1hnf s TRP 35 N -0.03 2.85 0.10 4.03 0.52 -0.44 -0.90 118.94 125.07 1hnf s TRP 35 Ca -0.06 -0.66 0.04 0.00 0.02 0.00 0.00 56.10 55.44 1hnf s TRP 35 Cb -0.15 -1.89 -0.04 0.00 -1.15 0.00 0.00 33.47 30.25 1hnf s TRP 35 CO 0.05 -0.24 -0.11 -2.00 0.02 0.00 0.00 176.95 174.66 1hnf s GLU 36 N 0.50 0.88 -0.39 4.98 2.12 -0.30 -1.74 118.70 124.75 1hnf s GLU 36 Ca -0.08 -1.15 -0.04 0.00 0.36 0.00 0.00 54.97 54.06 1hnf s GLU 36 Cb -0.15 -0.64 0.09 0.00 0.26 0.00 0.00 34.13 33.69 1hnf s GLU 36 CO 0.04 0.11 0.18 0.21 -0.54 0.00 0.00 175.26 175.26 1hnf s LYS 37 N -2.65 2.25 0.02 4.30 2.20 -0.12 -1.58 119.74 124.16 1hnf s LYS 37 Ca 0.05 -1.61 -0.03 0.00 -0.36 0.00 0.00 55.97 54.02 1hnf s LYS 37 Cb -0.04 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 1hnf s LYS 37 CO 0.01 -0.95 0.76 2.41 -0.36 0.00 0.00 175.35 177.22 1hnf n THR 38 N 4.69 -0.07 -0.25 3.43 -1.04 -0.80 -1.55 114.28 118.69 1hnf n THR 38 Ca -0.07 1.15 0.05 0.00 -2.04 0.00 0.00 64.05 63.15 1hnf n THR 38 Cb 0.42 -1.51 0.18 0.00 -1.82 0.00 0.00 70.33 67.60 1hnf n THR 38 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1hnf h SER 39 N 0.00 0.10 0.25 8.00 0.02 -1.97 -1.37 113.55 118.58 1hnf h SER 39 Ca 0.02 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1hnf h SER 39 Cb 0.04 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1hnf h SER 39 CO -0.10 0.01 -0.24 0.47 -1.14 0.00 0.00 176.83 175.83 1hnf n ASP 40 N -5.10 0.97 -3.27 3.07 8.00 -1.14 -4.99 116.55 114.09 1hnf n ASP 40 Ca 0.14 -0.86 -0.21 0.00 0.71 0.00 0.00 54.79 54.57 1hnf n ASP 40 Cb 0.44 0.11 0.02 0.00 -0.02 0.00 0.00 41.12 41.68 1hnf n ASP 40 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1hnf n LYS 41 N -0.68 -1.63 -3.63 -1.24 5.02 -0.52 -5.00 118.16 110.48 1hnf n LYS 41 Ca 0.12 1.44 -0.12 0.00 -2.02 0.00 0.00 58.31 57.74 1hnf n LYS 41 Cb 0.34 -2.47 -0.07 0.00 -0.02 0.00 0.00 35.03 32.81 1hnf n LYS 41 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1hnf s LYS 42 N -1.99 0.76 -0.27 1.97 2.20 -1.21 -4.99 119.74 116.21 1hnf s LYS 42 Ca 0.23 1.00 -0.23 0.00 -0.36 0.00 0.00 55.97 56.61 1hnf s LYS 42 Cb -0.03 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 1hnf s LYS 42 CO 0.60 -0.11 0.75 -1.59 -0.36 0.00 0.00 175.35 174.65 1hnf s LYS 43 N 0.67 4.06 0.27 4.03 -2.85 -1.26 -0.94 119.74 123.73 1hnf s LYS 43 Ca -0.02 0.66 0.17 0.00 -1.00 0.00 0.00 55.97 55.78 1hnf s LYS 43 Cb -0.05 -3.68 0.08 0.00 -2.06 0.00 0.00 37.83 32.12 1hnf s LYS 43 CO -0.05 -0.55 1.36 -0.84 0.10 0.00 0.00 175.35 175.37 1hnf h ILE 44 N 5.49 0.62 -1.80 3.79 3.07 -1.68 -3.43 117.51 123.57 1hnf h ILE 44 Ca -0.25 -1.91 0.00 0.00 1.55 0.00 0.00 64.86 64.25 1hnf h ILE 44 Cb 1.10 2.25 -0.21 0.00 -0.27 0.00 0.00 36.82 39.69 1hnf h ILE 44 CO 0.85 0.35 0.34 0.00 -1.05 0.00 0.00 178.15 178.64 1hnf s ALA 45 N -3.02 -1.85 -0.19 0.16 0.00 -1.19 -0.30 121.76 115.37 1hnf s ALA 45 Ca 0.03 1.49 -0.17 0.00 0.00 0.00 0.00 51.96 53.30 1hnf s ALA 45 Cb 0.07 -0.41 0.05 0.00 0.00 0.00 0.00 23.12 22.84 1hnf s ALA 45 CO 0.74 -0.34 0.51 -1.14 0.00 0.00 0.00 175.76 175.53 1hnf s GLN 46 N -1.02 0.59 -0.76 0.00 0.74 -0.38 -1.33 119.66 117.49 1hnf s GLN 46 Ca -0.06 0.71 -0.06 0.00 0.05 0.00 0.00 55.36 55.99 1hnf s GLN 46 Cb -0.01 0.28 0.20 0.00 1.10 0.00 0.00 33.01 34.58 1hnf s GLN 46 CO 0.05 -0.07 0.64 0.12 -0.55 0.00 0.00 175.29 175.48 1hnf s PHE 47 N 0.30 3.65 -1.28 1.67 5.36 0.40 -2.17 117.98 125.91 1hnf s PHE 47 Ca -0.00 -2.56 -0.05 0.00 -0.96 0.00 0.00 56.93 53.36 1hnf s PHE 47 Cb -0.04 -3.43 0.15 0.00 -0.34 0.00 0.00 43.02 39.36 1hnf s PHE 47 CO 0.00 -0.87 2.25 -2.13 -1.46 0.00 0.00 175.22 173.01 1hnf n ARG 48 N 3.37 4.62 -0.85 10.12 3.00 -1.15 -2.02 116.66 133.75 1hnf n ARG 48 Ca 0.13 -3.64 0.12 0.00 -0.00 0.00 0.00 57.85 54.45 1hnf n ARG 48 Cb 0.40 -2.63 -0.03 0.00 0.00 0.00 0.00 32.46 30.20 1hnf n ARG 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1hnf n LYS 49 N 1.68 -1.72 0.00 -0.14 4.76 -1.14 -2.81 118.16 118.79 1hnf n LYS 49 Ca 0.58 1.13 0.02 0.00 -2.87 0.00 0.00 58.31 57.17 1hnf n LYS 49 Cb 0.26 -2.10 0.08 0.00 -1.84 0.00 0.00 35.03 31.44 1hnf n LYS 49 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1hnf n GLU 50 N -3.17 0.03 0.32 1.97 0.00 -1.26 -2.24 120.64 116.29 1hnf n GLU 50 Ca 0.01 0.33 0.17 0.00 0.00 0.00 0.00 57.16 57.67 1hnf n GLU 50 Cb 0.39 -1.50 0.91 0.00 0.00 0.00 0.00 31.44 31.24 1hnf n GLU 50 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1hnf h LYS 51 N 0.00 0.00 0.00 3.44 1.57 -1.94 -3.44 116.57 116.19 1hnf h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hnf h LYS 51 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1hnf h LYS 51 CO 0.00 0.00 0.00 -1.91 -0.57 0.00 0.00 179.45 176.97 1hnf n GLU 52 N -3.03 0.00 -3.78 3.15 0.00 -0.95 -5.05 120.64 110.98 1hnf n GLU 52 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.79 1hnf n GLU 52 Cb 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.65 1hnf n GLU 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1hnf s THR 53 N -1.86 3.28 0.01 6.31 2.01 -1.26 -2.92 115.64 121.21 1hnf s THR 53 Ca 0.00 -2.21 -0.21 0.00 0.31 0.00 0.00 61.69 59.58 1hnf s THR 53 Cb 0.00 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 1hnf s THR 53 CO 0.00 -0.71 0.63 0.12 -0.69 0.00 0.00 174.62 173.97 1hnf s PHE 54 N 0.95 3.71 -0.08 4.92 5.36 -0.92 -4.99 117.98 126.92 1hnf s PHE 54 Ca 0.10 1.27 -0.04 0.00 -0.96 0.00 0.00 56.93 57.30 1hnf s PHE 54 Cb -0.22 -2.65 0.04 0.00 -0.34 0.00 0.00 43.02 39.85 1hnf s PHE 54 CO -0.04 0.35 0.18 0.15 -1.46 0.00 0.00 175.22 174.40 1hnf s LYS 55 N -0.24 0.12 0.58 10.12 1.02 -1.26 -1.25 119.74 128.83 1hnf s LYS 55 Ca 0.32 0.44 0.36 0.00 0.02 0.00 0.00 55.97 57.11 1hnf s LYS 55 Cb -0.19 -0.17 1.73 0.00 -0.52 0.00 0.00 37.83 38.69 1hnf s LYS 55 CO 0.19 -0.18 2.13 1.49 -0.92 0.00 0.00 175.35 178.06 1hnf h GLU 56 N 7.35 0.00 -1.92 1.68 4.81 -0.93 -3.46 114.58 122.11 1hnf h GLU 56 Ca -0.39 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.08 1hnf h GLU 56 Cb 1.14 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.42 1hnf h GLU 56 CO 0.38 0.03 0.65 0.21 -0.73 0.00 0.00 179.01 179.55 1hnf s LYS 57 N -3.93 0.81 0.54 1.92 2.20 -1.26 -4.99 119.74 115.03 1hnf s LYS 57 Ca -0.02 -0.44 0.31 0.00 -0.36 0.00 0.00 55.97 55.46 1hnf s LYS 57 Cb 0.11 0.28 1.51 0.00 -1.51 0.00 0.00 37.83 38.22 1hnf s LYS 57 CO 0.51 -0.37 2.07 0.38 -0.36 0.00 0.00 175.35 177.58 1hnf h ASP 58 N 2.00 0.00 0.21 1.43 3.04 -2.00 -1.34 116.42 119.76 1hnf h ASP 58 Ca -0.26 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.53 1hnf h ASP 58 Cb 1.22 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 1hnf h ASP 58 CO 0.27 0.09 0.00 0.74 -2.04 0.00 0.00 179.24 178.30 1hnf h THR 59 N 0.00 0.00 -2.84 1.15 2.02 -1.94 -3.42 112.91 107.87 1hnf h THR 59 Ca -0.00 -0.10 -0.61 0.00 0.77 0.00 0.00 66.41 66.47 1hnf h THR 59 Cb 0.37 1.02 -0.12 0.00 -1.74 0.00 0.00 68.15 67.68 1hnf h THR 59 CO 0.01 0.00 -0.68 -0.31 0.37 0.00 0.00 175.52 174.91 1hnf s TYR 60 N -3.95 2.76 -0.22 3.16 2.02 -0.51 -1.58 117.35 119.02 1hnf s TYR 60 Ca -0.03 -0.17 -0.14 0.00 -0.37 0.00 0.00 57.07 56.36 1hnf s TYR 60 Cb 0.11 -1.33 0.07 0.00 -0.40 0.00 0.00 41.96 40.41 1hnf s TYR 60 CO 0.40 0.53 0.55 0.21 -1.57 0.00 0.00 175.55 175.67 1hnf s LYS 61 N -2.98 0.56 -0.06 -0.62 2.47 -1.01 -4.83 119.74 113.26 1hnf s LYS 61 Ca 0.27 0.97 0.05 0.00 -1.56 0.00 0.00 55.97 55.70 1hnf s LYS 61 Cb -0.09 0.09 -0.00 0.00 -1.46 0.00 0.00 37.83 36.37 1hnf s LYS 61 CO 0.18 -0.14 -0.22 -1.17 0.16 0.00 0.00 175.35 174.16 1hnf s LEU 62 N 1.34 2.00 0.32 5.43 2.96 -1.26 -1.13 118.68 128.34 1hnf s LEU 62 Ca -0.08 -0.46 0.06 0.00 -0.22 0.00 0.00 54.13 53.43 1hnf s LEU 62 Cb -0.06 -1.23 -0.01 0.00 0.50 0.00 0.00 46.19 45.39 1hnf s LEU 62 CO -0.14 0.19 0.46 -0.36 -1.32 0.00 0.00 176.35 175.17 1hnf s PHE 63 N 0.06 3.16 0.58 5.38 0.08 -0.16 -4.98 117.98 122.10 1hnf s PHE 63 Ca -0.08 -0.19 0.27 0.00 0.12 0.00 0.00 56.93 57.05 1hnf s PHE 63 Cb -0.14 -1.94 1.67 0.00 -0.57 0.00 0.00 43.02 42.03 1hnf s PHE 63 CO 0.04 0.05 2.16 -0.22 -0.10 0.00 0.00 175.22 177.16 1hnf h LYS 64 N 0.93 0.00 -0.23 0.44 3.64 -2.01 0.83 116.57 120.18 1hnf h LYS 64 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1hnf h LYS 64 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1hnf h LYS 64 CO 0.54 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 177.99 1hnf n ASN 65 N -3.94 1.56 0.00 4.20 6.94 -1.26 -4.80 115.26 117.96 1hnf n ASN 65 Ca -0.00 -1.83 0.00 0.00 -0.02 0.00 0.00 54.58 52.72 1hnf n ASN 65 Cb 0.21 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 1hnf n ASN 65 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hnf n GLY 66 N 1.04 0.95 3.74 4.83 0.00 0.29 -4.79 105.19 111.24 1hnf n GLY 66 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1hnf n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hnf s THR 67 N -3.24 4.16 -0.18 2.61 2.01 -1.26 -4.77 115.64 114.97 1hnf s THR 67 Ca 0.00 1.95 -0.02 0.00 0.31 0.00 0.00 61.69 63.92 1hnf s THR 67 Cb 0.00 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.26 1hnf s THR 67 CO 0.00 0.37 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.00 1hnf s LEU 68 N -0.57 2.79 -0.13 4.42 0.20 -0.75 -0.98 118.68 123.65 1hnf s LEU 68 Ca 0.45 -0.38 -0.04 0.00 0.69 0.00 0.00 54.13 54.85 1hnf s LEU 68 Cb -0.26 -1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 43.79 1hnf s LEU 68 CO 0.32 0.06 0.03 -0.75 -0.29 0.00 0.00 176.35 175.72 1hnf s LYS 69 N 1.01 3.48 -0.25 1.98 2.20 -0.28 -1.11 119.74 126.77 1hnf s LYS 69 Ca -0.01 -0.38 -0.02 0.00 -0.36 0.00 0.00 55.97 55.20 1hnf s LYS 69 Cb -0.15 -2.99 0.02 0.00 -1.51 0.00 0.00 37.83 33.21 1hnf s LYS 69 CO -0.01 0.48 -0.05 0.42 -0.36 0.00 0.00 175.35 175.83 1hnf s ILE 70 N -0.26 2.99 0.21 5.43 1.01 -0.71 -2.41 121.20 127.46 1hnf s ILE 70 Ca 0.07 -0.93 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 1hnf s ILE 70 Cb -0.12 -2.49 -0.08 0.00 0.01 0.00 0.00 42.46 39.78 1hnf s ILE 70 CO 0.02 0.23 0.73 -0.54 0.00 0.00 0.00 174.94 175.38 1hnf s LYS 71 N 1.36 4.30 -0.79 2.79 1.02 -0.62 -2.05 119.74 125.74 1hnf s LYS 71 Ca 0.01 0.91 -0.01 0.00 0.02 0.00 0.00 55.97 56.91 1hnf s LYS 71 Cb -0.16 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 1hnf s LYS 71 CO -0.04 0.42 0.63 1.58 -0.92 0.00 0.00 175.35 177.03 1hnf n HIS 72 N 0.87 -2.36 -1.46 3.18 -0.00 -1.18 -4.83 115.22 109.43 1hnf n HIS 72 Ca -0.03 0.94 -0.42 0.00 0.46 0.00 0.00 57.72 58.67 1hnf n HIS 72 Cb 0.51 -3.19 0.00 0.00 -0.12 0.00 0.00 29.99 27.19 1hnf n HIS 72 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1hnf n LEU 73 N -2.31 0.10 -4.16 0.27 4.77 0.13 -4.56 117.00 111.25 1hnf n LEU 73 Ca -0.22 0.95 -0.10 0.00 -0.03 0.00 0.00 56.01 56.61 1hnf n LEU 73 Cb 0.63 -1.12 -0.10 0.00 -2.33 0.00 0.00 43.42 40.50 1hnf n LEU 73 CO 0.60 -2.73 -0.34 -0.54 -1.33 0.00 0.00 177.39 173.05 1hnf s LYS 74 N -1.55 0.87 0.38 3.23 1.02 -1.26 -1.60 119.74 120.83 1hnf s LYS 74 Ca 0.63 -1.38 0.14 0.00 0.02 0.00 0.00 55.97 55.37 1hnf s LYS 74 Cb -0.63 0.01 0.96 0.00 -0.52 0.00 0.00 37.83 37.65 1hnf s LYS 74 CO 0.58 -0.14 1.83 1.15 -0.92 0.00 0.00 175.35 177.85 1hnf h THR 75 N 2.92 0.69 0.00 2.17 2.02 -2.00 -1.21 112.91 117.49 1hnf h THR 75 Ca -0.35 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1hnf h THR 75 Cb 1.18 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1hnf h THR 75 CO 0.63 0.10 0.00 0.44 0.37 0.00 0.00 175.52 177.06 1hnf h ASP 76 N 0.54 0.00 0.21 4.18 5.19 -2.01 -3.11 116.42 121.42 1hnf h ASP 76 Ca 0.51 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 1hnf h ASP 76 Cb 1.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1hnf h ASP 76 CO -0.25 0.00 -0.07 0.47 -3.12 0.00 0.00 179.24 176.27 1hnf n ASP 77 N -2.76 0.61 -4.60 6.45 8.00 -0.46 -4.76 116.55 119.03 1hnf n ASP 77 Ca -0.01 -0.85 -0.43 0.00 0.71 0.00 0.00 54.79 54.21 1hnf n ASP 77 Cb 0.12 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 1hnf n ASP 77 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1hnf s GLN 78 N -2.29 3.61 0.13 -1.24 0.74 -1.18 -4.90 119.66 114.53 1hnf s GLN 78 Ca 0.34 0.95 -0.25 0.00 0.05 0.00 0.00 55.36 56.45 1hnf s GLN 78 Cb 0.21 -4.01 0.08 0.00 1.10 0.00 0.00 33.01 30.38 1hnf s GLN 78 CO 0.43 -1.52 1.03 0.34 -0.55 0.00 0.00 175.29 175.02 1hnf s ASP 79 N 3.77 -0.11 -0.15 6.67 -1.08 -1.02 -5.02 116.67 119.73 1hnf s ASP 79 Ca 0.60 -0.43 -0.16 0.00 -0.52 0.00 0.00 52.55 52.04 1hnf s ASP 79 Cb -0.14 0.44 -0.04 0.00 -1.46 0.00 0.00 42.92 41.72 1hnf s ASP 79 CO 0.32 -0.83 0.40 -0.63 0.52 0.00 0.00 175.17 174.95 1hnf s ILE 80 N -2.87 5.23 0.11 4.11 1.01 -1.26 -1.86 121.20 125.67 1hnf s ILE 80 Ca 0.15 0.77 0.08 0.00 0.00 0.00 0.00 60.65 61.65 1hnf s ILE 80 Cb -0.01 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1hnf s ILE 80 CO 0.02 0.33 -0.14 -0.31 0.00 0.00 0.00 174.94 174.84 1hnf s TYR 81 N 0.70 2.62 -0.01 3.97 1.51 0.24 -1.90 117.35 124.48 1hnf s TYR 81 Ca 0.21 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.06 1hnf s TYR 81 Cb -0.14 -1.38 0.01 0.00 -0.11 0.00 0.00 41.96 40.34 1hnf s TYR 81 CO 0.08 0.41 -0.01 0.21 -1.11 0.00 0.00 175.55 175.12 1hnf s LYS 82 N -2.21 0.23 -0.07 -0.62 2.20 -0.61 -0.62 119.74 118.05 1hnf s LYS 82 Ca 0.20 -0.01 0.03 0.00 -0.36 0.00 0.00 55.97 55.82 1hnf s LYS 82 Cb -0.11 -0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 35.88 1hnf s LYS 82 CO 0.12 -0.03 -0.14 0.08 -0.36 0.00 0.00 175.35 175.02 1hnf s VAL 83 N 0.41 3.10 -0.05 4.02 1.01 0.03 -1.15 120.40 127.77 1hnf s VAL 83 Ca -0.04 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1hnf s VAL 83 Cb -0.07 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1hnf s VAL 83 CO -0.01 0.58 -0.07 -0.44 0.00 0.00 0.00 175.10 175.15 1hnf s SER 84 N -0.50 1.23 -0.01 3.32 0.01 -0.07 -1.95 113.70 115.72 1hnf s SER 84 Ca 0.07 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.15 1hnf s SER 84 Cb -0.12 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.53 1hnf s SER 84 CO 0.02 -0.02 -0.06 0.27 0.41 0.00 0.00 173.24 173.86 1hnf s ILE 85 N 0.79 0.50 0.04 1.44 -4.36 -0.08 -0.47 121.20 119.06 1hnf s ILE 85 Ca -0.13 -0.23 0.07 0.00 -0.26 0.00 0.00 60.65 60.11 1hnf s ILE 85 Cb -0.15 -0.45 -0.02 0.00 1.25 0.00 0.00 42.46 43.08 1hnf s ILE 85 CO 0.02 0.16 -0.20 -0.31 0.24 0.00 0.00 174.94 174.84 1hnf s TYR 86 N 0.13 1.79 0.16 1.37 2.02 -0.22 0.55 117.35 123.14 1hnf s TYR 86 Ca -0.01 -0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1hnf s TYR 86 Cb -0.06 -1.06 0.04 0.00 -0.40 0.00 0.00 41.96 40.48 1hnf s TYR 86 CO -0.00 0.09 0.20 -0.40 -1.57 0.00 0.00 175.55 173.87 1hnf n ASP 87 N 1.85 -0.18 0.13 2.29 5.68 -0.44 -0.83 116.55 125.05 1hnf n ASP 87 Ca -0.17 -1.00 0.01 0.00 -0.50 0.00 0.00 54.79 53.13 1hnf n ASP 87 Cb 0.53 -0.16 0.08 0.00 -1.14 0.00 0.00 41.12 40.44 1hnf n ASP 87 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1hnf h THR 88 N -1.21 1.11 -0.06 2.12 1.35 -0.17 -3.10 112.91 112.94 1hnf h THR 88 Ca -0.07 -2.31 -0.01 0.00 -0.55 0.00 0.00 66.41 63.47 1hnf h THR 88 Cb 0.18 2.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 1hnf h THR 88 CO 0.05 0.58 0.01 0.29 -0.25 0.00 0.00 175.52 176.20 1hnf n LYS 89 N -3.37 1.29 -0.11 4.72 4.76 -1.26 -4.87 118.16 119.31 1hnf n LYS 89 Ca 0.01 -0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.18 1hnf n LYS 89 Cb 0.72 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 1hnf n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hnf n GLY 90 N 0.12 1.79 3.77 0.72 0.00 -1.17 -5.01 105.19 105.40 1hnf n GLY 90 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1hnf n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hnf s LYS 91 N -0.05 4.05 -0.53 1.61 1.02 -1.26 -4.75 119.74 119.83 1hnf s LYS 91 Ca 0.00 1.88 -0.25 0.00 0.02 0.00 0.00 55.97 57.62 1hnf s LYS 91 Cb 0.00 -2.69 0.04 0.00 -0.52 0.00 0.00 37.83 34.66 1hnf s LYS 91 CO 0.00 -0.34 0.97 1.21 -0.92 0.00 0.00 175.35 176.27 1hnf s ASN 92 N -1.08 6.40 0.08 2.83 2.47 -1.26 -1.33 114.94 123.05 1hnf s ASN 92 Ca 0.57 -0.14 -0.02 0.00 0.42 0.00 0.00 52.86 53.69 1hnf s ASN 92 Cb -0.32 -2.46 -0.27 0.00 -1.45 0.00 0.00 41.25 36.76 1hnf s ASN 92 CO 0.40 -1.21 1.15 0.58 -3.72 0.00 0.00 177.10 174.30 1hnf h VAL 93 N 6.06 1.52 -2.42 -5.21 2.07 -0.26 -3.48 116.25 114.53 1hnf h VAL 93 Ca -0.25 -3.13 -0.05 0.00 0.82 0.00 0.00 66.70 64.08 1hnf h VAL 93 Cb 1.07 2.91 -0.17 0.00 -1.52 0.00 0.00 31.29 33.58 1hnf h VAL 93 CO 1.08 0.91 0.14 -0.22 0.02 0.00 0.00 177.57 179.50 1hnf s LEU 94 N -7.03 -0.45 -0.22 2.57 0.20 -1.09 -5.01 118.68 107.66 1hnf s LEU 94 Ca -0.03 0.42 -0.04 0.00 0.69 0.00 0.00 54.13 55.18 1hnf s LEU 94 Cb 0.08 2.41 0.11 0.00 -0.43 0.00 0.00 46.19 48.36 1hnf s LEU 94 CO 0.87 -0.70 0.34 -0.70 -0.29 0.00 0.00 176.35 175.86 1hnf s GLU 95 N -2.00 0.29 0.11 1.98 2.12 -1.26 -0.90 118.70 119.05 1hnf s GLU 95 Ca -0.07 0.52 0.10 0.00 0.36 0.00 0.00 54.97 55.89 1hnf s GLU 95 Cb -0.01 -0.53 -0.04 0.00 0.26 0.00 0.00 34.13 33.81 1hnf s GLU 95 CO 0.02 -0.58 -0.26 0.15 -0.54 0.00 0.00 175.26 174.05 1hnf s LYS 96 N 2.49 1.44 -0.03 4.30 -0.14 -0.82 -4.97 119.74 122.01 1hnf s LYS 96 Ca 0.09 -1.29 0.02 0.00 -1.36 0.00 0.00 55.97 53.43 1hnf s LYS 96 Cb -0.15 -1.87 0.00 0.00 -1.68 0.00 0.00 37.83 34.14 1hnf s LYS 96 CO -0.14 0.45 -0.09 0.42 -0.76 0.00 0.00 175.35 175.23 1hnf s ILE 97 N -1.02 0.78 -0.03 2.17 1.01 -1.26 -0.79 121.20 122.05 1hnf s ILE 97 Ca 0.13 -0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.50 1hnf s ILE 97 Cb -0.10 -0.70 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 1hnf s ILE 97 CO 0.05 0.25 -0.25 -0.36 0.00 0.00 0.00 174.94 174.63 1hnf s PHE 98 N 0.23 2.39 -0.76 3.97 0.40 0.21 -1.10 117.98 123.32 1hnf s PHE 98 Ca -0.04 -0.49 -0.03 0.00 -0.60 0.00 0.00 56.93 55.78 1hnf s PHE 98 Cb -0.09 -1.54 0.19 0.00 0.51 0.00 0.00 43.02 42.10 1hnf s PHE 98 CO 0.01 -0.07 0.61 0.34 0.70 0.00 0.00 175.22 176.81 1hnf s ASP 99 N -0.50 5.62 -0.21 1.36 2.15 -0.67 -0.59 116.67 123.83 1hnf s ASP 99 Ca 0.07 -3.29 -0.29 0.00 0.43 0.00 0.00 52.55 49.47 1hnf s ASP 99 Cb -0.11 -1.89 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 1hnf s ASP 99 CO 0.00 -0.28 1.13 -0.22 -0.17 0.00 0.00 175.17 175.64 1hnf s LEU 100 N -0.70 4.12 0.10 -1.34 2.96 -0.78 -2.00 118.68 121.03 1hnf s LEU 100 Ca 0.22 1.48 0.09 0.00 -0.22 0.00 0.00 54.13 55.70 1hnf s LEU 100 Cb -0.13 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1hnf s LEU 100 CO -0.08 -0.72 -0.19 -0.54 -1.32 0.00 0.00 176.35 173.50 1hnf s LYS 101 N 3.35 1.83 0.14 1.98 1.02 -0.41 -2.43 119.74 125.23 1hnf s LYS 101 Ca 0.48 -1.14 0.07 0.00 0.02 0.00 0.00 55.97 55.40 1hnf s LYS 101 Cb -0.17 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.98 1hnf s LYS 101 CO 0.10 0.49 -0.16 0.96 -0.92 0.00 0.00 175.35 175.82 1hnf s ILE 102 N -1.08 1.60 0.06 2.17 -4.36 -1.26 -2.07 121.20 116.25 1hnf s ILE 102 Ca 0.17 -1.82 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 1hnf s ILE 102 Cb -0.11 -1.70 -0.03 0.00 1.25 0.00 0.00 42.46 41.87 1hnf s ILE 102 CO 0.09 -0.35 -0.06 -1.10 0.24 0.00 0.00 174.94 173.76 1hnf s GLN 103 N -2.72 0.65 0.07 0.37 -0.21 -0.64 -4.94 119.66 112.24 1hnf s GLN 103 Ca 0.12 -1.08 -0.28 0.00 0.02 0.00 0.00 55.36 54.14 1hnf s GLN 103 Cb -0.05 -0.09 -0.05 0.00 1.00 0.00 0.00 33.01 33.81 1hnf s GLN 103 CO 0.05 -0.03 0.87 -2.00 -2.12 0.00 0.00 175.29 172.06 1hnf s GLU 104 N -3.04 4.60 0.65 2.91 2.12 -1.26 -1.23 118.70 123.45 1hnf s GLU 104 Ca 0.02 1.27 -0.18 0.00 0.36 0.00 0.00 54.97 56.45 1hnf s GLU 104 Cb 0.00 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 1hnf s GLU 104 CO -0.04 0.23 1.26 1.03 -0.54 0.00 0.00 175.26 177.20 1hnf s ARG 105 N 0.04 2.57 0.47 4.30 0.52 -1.26 -3.00 118.95 122.58 1hnf s ARG 105 Ca 0.43 1.97 -0.14 0.00 -0.52 0.00 0.00 55.73 57.47 1hnf s ARG 105 Cb -0.22 -1.86 -0.07 0.00 0.52 0.00 0.00 34.95 33.32 1hnf s ARG 105 CO 0.27 -1.56 0.90 0.08 0.02 0.00 0.00 175.30 175.01 1hnf s VAL 106 N -1.53 4.62 0.35 3.52 1.01 -1.26 -3.31 120.40 123.81 1hnf s VAL 106 Ca 0.80 1.01 0.07 0.00 0.00 0.00 0.00 61.98 63.86 1hnf s VAL 106 Cb -0.35 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1hnf s VAL 106 CO 0.39 -0.61 0.44 -0.94 0.00 0.00 0.00 175.10 174.38 1hnf s SER 107 N -3.06 5.72 0.16 3.32 1.04 -0.84 -4.83 113.70 115.20 1hnf s SER 107 Ca 0.56 -0.32 -0.31 0.00 0.48 0.00 0.00 55.95 56.35 1hnf s SER 107 Cb -0.10 -1.05 -0.10 0.00 0.10 0.00 0.00 66.02 64.86 1hnf s SER 107 CO 0.31 -0.47 1.67 -0.54 0.98 0.00 0.00 173.24 175.19 1hnf s LYS 108 N -4.15 4.17 0.79 4.02 1.02 -1.26 -4.74 119.74 119.58 1hnf s LYS 108 Ca 0.46 2.47 -0.13 0.00 0.02 0.00 0.00 55.97 58.79 1hnf s LYS 108 Cb -0.08 -3.28 0.07 0.00 -0.52 0.00 0.00 37.83 34.02 1hnf s LYS 108 CO 0.30 -0.71 1.19 -2.14 -0.92 0.00 0.00 175.35 173.07 1hnf s PRO 109 N 1.67 1.80 -0.14 -1.68 0.02 -1.26 -4.80 135.00 130.62 1hnf s PRO 109 Ca 0.74 1.68 0.01 0.00 0.02 0.00 0.00 61.00 63.45 1hnf s PRO 109 Cb -0.45 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.26 1hnf s PRO 109 CO 0.32 -2.07 -0.17 0.21 -0.33 0.00 0.00 177.00 174.97 1hnf s LYS 110 N -4.18 3.21 -0.13 5.54 2.20 0.30 -4.75 119.74 121.94 1hnf s LYS 110 Ca 0.72 -0.76 -0.03 0.00 -0.36 0.00 0.00 55.97 55.54 1hnf s LYS 110 Cb -0.27 -2.56 -0.03 0.00 -1.51 0.00 0.00 37.83 33.47 1hnf s LYS 110 CO 0.50 0.09 -0.04 0.42 -0.36 0.00 0.00 175.35 175.95 1hnf s ILE 111 N 0.62 3.87 0.13 5.43 1.01 -1.26 -1.65 121.20 129.34 1hnf s ILE 111 Ca -0.09 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.23 1hnf s ILE 111 Cb -0.16 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1hnf s ILE 111 CO 0.03 0.52 -0.12 -0.44 0.00 0.00 0.00 174.94 174.93 1hnf s SER 112 N 0.05 1.83 -0.14 3.58 0.01 -0.11 -4.99 113.70 113.94 1hnf s SER 112 Ca -0.00 -0.91 -0.31 0.00 1.31 0.00 0.00 55.95 56.05 1hnf s SER 112 Cb -0.13 -0.03 0.13 0.00 0.21 0.00 0.00 66.02 66.19 1hnf s SER 112 CO 0.03 -0.25 1.04 -1.66 0.41 0.00 0.00 173.24 172.81 1hnf s TRP 113 N -2.74 -0.30 0.08 2.43 1.48 -1.26 -0.66 118.94 117.98 1hnf s TRP 113 Ca 0.12 0.39 0.09 0.00 -1.06 0.00 0.00 56.10 55.64 1hnf s TRP 113 Cb -0.01 0.49 -0.03 0.00 -1.16 0.00 0.00 33.47 32.75 1hnf s TRP 113 CO 0.02 -0.34 -0.25 0.95 -4.06 0.00 0.00 176.95 173.26 1hnf s THR 114 N -1.83 2.07 -0.12 0.66 -4.23 -0.60 -5.01 115.64 106.57 1hnf s THR 114 Ca 0.03 -1.51 0.06 0.00 -1.18 0.00 0.00 61.69 59.09 1hnf s THR 114 Cb -0.01 -1.80 -0.24 0.00 1.34 0.00 0.00 72.50 71.79 1hnf s THR 114 CO -0.03 0.20 0.36 0.00 -0.54 0.00 0.00 174.62 174.61 1hnf h ILE 116 N 0.02 0.88 -3.49 0.00 2.04 -1.97 -3.31 117.51 111.68 1hnf h ILE 116 Ca -0.41 -0.05 -0.63 0.00 1.00 0.00 0.00 64.86 64.78 1hnf h ILE 116 Cb 2.05 0.73 -0.18 0.00 -0.74 0.00 0.00 36.82 38.68 1hnf h ILE 116 CO 0.05 0.02 -0.58 0.20 0.00 0.00 0.00 178.15 177.85 1hnf s ASN 117 N -5.28 5.50 -1.16 1.72 -0.87 -1.26 -4.98 114.94 108.61 1hnf s ASN 117 Ca -0.13 -0.03 -0.21 0.00 -1.57 0.00 0.00 52.86 50.92 1hnf s ASN 117 Cb 0.10 -1.97 0.05 0.00 -0.02 0.00 0.00 41.25 39.41 1hnf s ASN 117 CO 0.69 0.08 1.64 0.42 -2.57 0.00 0.00 177.10 177.36 1hnf s THR 118 N 0.96 3.97 -0.08 1.60 -4.23 -1.25 -4.12 115.64 112.49 1hnf s THR 118 Ca 0.04 -1.30 -0.08 0.00 -1.18 0.00 0.00 61.69 59.17 1hnf s THR 118 Cb -0.14 -5.05 0.02 0.00 1.34 0.00 0.00 72.50 68.68 1hnf s THR 118 CO 0.03 -1.88 0.23 -0.89 -0.54 0.00 0.00 174.62 171.57 1hnf s THR 119 N 5.22 0.00 -0.00 3.99 2.01 -1.20 -2.83 115.64 122.83 1hnf s THR 119 Ca 0.52 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1hnf s THR 119 Cb 0.02 -0.33 -0.00 0.00 0.01 0.00 0.00 72.50 72.19 1hnf s THR 119 CO 0.00 -0.02 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.65 1hnf s LEU 120 N 0.05 1.99 -0.01 4.42 1.98 0.79 -1.56 118.68 126.33 1hnf s LEU 120 Ca -0.01 -0.08 0.03 0.00 -2.89 0.00 0.00 54.13 51.18 1hnf s LEU 120 Cb -0.02 -0.24 -0.01 0.00 0.66 0.00 0.00 46.19 46.58 1hnf s LEU 120 CO 0.00 0.05 -0.11 -0.89 -1.89 0.00 0.00 176.35 173.52 1hnf s THR 121 N -0.09 0.89 -0.05 3.68 2.01 0.17 0.64 115.64 122.89 1hnf s THR 121 Ca 0.02 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.59 1hnf s THR 121 Cb -0.02 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.74 1hnf s THR 121 CO -0.00 0.26 -0.16 0.00 -0.69 0.00 0.00 174.62 174.02 1hnf s GLU 123 N 0.22 0.59 -0.10 0.00 2.12 -0.66 -1.86 118.70 119.01 1hnf s GLU 123 Ca -0.08 -0.43 0.02 0.00 0.36 0.00 0.00 54.97 54.84 1hnf s GLU 123 Cb -0.13 0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.52 1hnf s GLU 123 CO 0.03 -0.16 -0.14 0.54 -0.54 0.00 0.00 175.26 174.99 1hnf s VAL 124 N -1.76 1.39 0.05 3.70 0.11 -1.26 -0.54 120.40 122.09 1hnf s VAL 124 Ca -0.11 -0.58 -0.16 0.00 -2.93 0.00 0.00 61.98 58.20 1hnf s VAL 124 Cb -0.05 -1.28 -0.27 0.00 -1.53 0.00 0.00 36.38 33.24 1hnf s VAL 124 CO 0.00 0.42 1.11 -0.03 -3.33 0.00 0.00 175.10 173.27 1hnf h MET 125 N 7.41 0.61 -6.51 1.54 4.05 -1.89 -3.46 114.93 116.68 1hnf h MET 125 Ca -0.31 -0.77 -0.65 0.00 -0.28 0.00 0.00 59.70 57.69 1hnf h MET 125 Cb 1.17 0.25 -0.15 0.00 -0.80 0.00 0.00 31.60 32.07 1hnf h MET 125 CO 0.48 1.34 -0.73 -0.80 0.23 0.00 0.00 176.91 177.43 1hnf s ASN 126 N -7.32 4.44 0.00 1.39 0.01 -1.26 -5.02 114.94 107.19 1hnf s ASN 126 Ca -0.10 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 1hnf s ASN 126 Cb 0.05 -0.85 0.00 0.00 0.41 0.00 0.00 41.25 40.86 1hnf s ASN 126 CO 0.92 0.16 0.00 0.61 -1.51 0.00 0.00 177.10 177.27 1hnf n GLY 127 N 0.52 4.23 3.76 0.66 0.00 -1.21 -1.99 105.19 111.16 1hnf n GLY 127 Ca -0.13 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 1hnf n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hnf s THR 128 N -0.84 5.02 -0.96 2.61 2.01 -1.16 -4.46 115.64 117.85 1hnf s THR 128 Ca 0.00 1.07 -0.23 0.00 0.31 0.00 0.00 61.69 62.84 1hnf s THR 128 Cb 0.00 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.69 1hnf s THR 128 CO 0.00 0.42 0.44 0.47 -0.69 0.00 0.00 174.62 175.26 1hnf n ASP 129 N 2.87 -2.55 -4.83 3.53 8.00 -1.26 -4.83 116.55 117.49 1hnf n ASP 129 Ca -0.08 -1.00 -0.30 0.00 0.71 0.00 0.00 54.79 54.12 1hnf n ASP 129 Cb 0.51 -1.20 0.08 0.00 -0.02 0.00 0.00 41.12 40.49 1hnf n ASP 129 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1hnf s PRO 130 N -6.84 2.24 -0.09 -0.24 0.04 -1.26 -4.81 135.00 124.05 1hnf s PRO 130 Ca 0.33 0.56 0.03 0.00 0.04 0.00 0.00 61.00 61.95 1hnf s PRO 130 Cb -0.18 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1hnf s PRO 130 CO 0.75 -1.49 -0.17 -2.00 0.04 0.00 0.00 177.00 174.12 1hnf s GLU 131 N -5.23 2.32 -0.06 4.56 2.12 -0.32 -4.65 118.70 117.43 1hnf s GLU 131 Ca 0.60 -0.62 0.03 0.00 0.36 0.00 0.00 54.97 55.34 1hnf s GLU 131 Cb -0.13 -1.84 -0.02 0.00 0.26 0.00 0.00 34.13 32.39 1hnf s GLU 131 CO 0.53 0.07 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.67 1hnf s LEU 132 N 0.60 2.75 -0.04 2.70 1.02 0.45 -2.12 118.68 124.05 1hnf s LEU 132 Ca -0.15 -0.21 0.04 0.00 0.02 0.00 0.00 54.13 53.84 1hnf s LEU 132 Cb -0.16 -1.57 -0.00 0.00 0.02 0.00 0.00 46.19 44.47 1hnf s LEU 132 CO 0.05 0.32 -0.16 0.20 0.02 0.00 0.00 176.35 176.77 1hnf s ASN 133 N -0.56 2.04 -0.14 2.29 0.01 -0.80 -1.25 114.94 116.53 1hnf s ASN 133 Ca 0.08 -0.33 -0.01 0.00 -0.71 0.00 0.00 52.86 51.89 1hnf s ASN 133 Cb -0.11 -0.57 -0.01 0.00 0.41 0.00 0.00 41.25 40.96 1hnf s ASN 133 CO 0.01 0.14 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.40 1hnf s LEU 134 N 0.07 2.73 0.10 0.60 2.96 -0.27 -1.82 118.68 123.05 1hnf s LEU 134 Ca -0.04 -0.33 0.09 0.00 -0.22 0.00 0.00 54.13 53.63 1hnf s LEU 134 Cb -0.11 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1hnf s LEU 134 CO 0.02 0.15 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.65 1hnf s TYR 135 N 0.47 2.06 -0.24 5.38 2.02 0.88 0.14 117.35 128.05 1hnf s TYR 135 Ca -0.09 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.23 1hnf s TYR 135 Cb -0.16 -1.15 0.06 0.00 -0.40 0.00 0.00 41.96 40.31 1hnf s TYR 135 CO 0.04 0.23 -0.08 -1.14 -1.57 0.00 0.00 175.55 173.03 1hnf s GLN 136 N -1.79 1.93 -1.42 -0.62 0.74 -0.11 -1.04 119.66 117.36 1hnf s GLN 136 Ca 0.10 -1.15 -0.10 0.00 0.05 0.00 0.00 55.36 54.27 1hnf s GLN 136 Cb -0.10 -2.72 0.04 0.00 1.10 0.00 0.00 33.01 31.33 1hnf s GLN 136 CO 0.04 -0.58 1.03 -0.25 -0.55 0.00 0.00 175.29 174.99 1hnf n ASP 137 N 4.56 -4.81 -0.23 6.67 8.00 0.41 -1.81 116.55 129.34 1hnf n ASP 137 Ca -0.13 -0.69 -0.03 0.00 0.71 0.00 0.00 54.79 54.66 1hnf n ASP 137 Cb 0.43 -4.41 -0.01 0.00 -0.02 0.00 0.00 41.12 37.11 1hnf n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hnf n GLY 138 N -1.76 0.48 3.05 0.44 0.00 -1.26 -5.05 105.19 101.09 1hnf n GLY 138 Ca -0.03 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1hnf n GLY 138 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hnf s LYS 139 N -2.82 1.86 0.14 1.61 -2.85 -0.75 -5.09 119.74 111.84 1hnf s LYS 139 Ca 0.00 -0.47 -0.33 0.00 -1.00 0.00 0.00 55.97 54.17 1hnf s LYS 139 Cb 0.00 -1.51 -0.13 0.00 -2.06 0.00 0.00 37.83 34.13 1hnf s LYS 139 CO 0.00 0.05 1.67 1.58 0.10 0.00 0.00 175.35 178.75 1hnf n HIS 140 N 3.77 2.42 -0.03 1.78 -0.00 -1.26 -0.93 115.22 120.96 1hnf n HIS 140 Ca -0.22 0.14 -0.04 0.00 -0.00 0.00 0.00 57.72 57.60 1hnf n HIS 140 Cb 0.52 -2.61 -0.01 0.00 -0.00 0.00 0.00 29.99 27.89 1hnf n HIS 140 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1hnf n LEU 141 N 4.13 0.98 -3.72 0.27 4.77 0.37 -4.92 117.00 118.87 1hnf n LEU 141 Ca 0.17 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.18 1hnf n LEU 141 Cb 0.31 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.80 1hnf n LEU 141 CO 0.65 -0.44 0.08 -0.75 -1.33 0.00 0.00 177.39 175.60 1hnf s LYS 142 N -1.95 0.77 -0.03 3.23 2.20 -1.21 -4.97 119.74 117.77 1hnf s LYS 142 Ca -0.12 -0.23 0.04 0.00 -0.36 0.00 0.00 55.97 55.30 1hnf s LYS 142 Cb 0.02 0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 36.65 1hnf s LYS 142 CO 0.18 -0.23 -0.14 -1.17 -0.36 0.00 0.00 175.35 173.64 1hnf s LEU 143 N -1.54 2.78 0.08 5.43 0.20 -1.26 -1.12 118.68 123.26 1hnf s LEU 143 Ca -0.11 -0.21 -0.26 0.00 0.69 0.00 0.00 54.13 54.24 1hnf s LEU 143 Cb -0.03 -1.58 0.08 0.00 -0.43 0.00 0.00 46.19 44.23 1hnf s LEU 143 CO 0.03 0.33 0.79 -0.55 -0.29 0.00 0.00 176.35 176.66 1hnf s SER 144 N -0.89 -0.41 -0.21 3.68 0.15 -0.38 -5.01 113.70 110.64 1hnf s SER 144 Ca 0.12 -0.08 0.09 0.00 0.70 0.00 0.00 55.95 56.79 1hnf s SER 144 Cb -0.11 0.49 -0.22 0.00 -1.71 0.00 0.00 66.02 64.47 1hnf s SER 144 CO 0.02 -0.81 0.02 0.00 1.20 0.00 0.00 173.24 173.67 1hnf n GLN 145 N -0.33 0.67 -1.13 5.44 1.13 -1.26 -0.41 117.38 121.50 1hnf n GLN 145 Ca -0.11 0.10 -0.05 0.00 -1.94 0.00 0.00 57.00 55.00 1hnf n GLN 145 Cb 0.63 -1.56 0.03 0.00 0.11 0.00 0.00 30.24 29.44 1hnf n GLN 145 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1hnf n ARG 146 N -3.04 0.50 -1.76 -1.09 1.85 -1.26 -4.76 116.66 107.10 1hnf n ARG 146 Ca -0.37 -0.66 -0.41 0.00 -1.00 0.00 0.00 57.85 55.41 1hnf n ARG 146 Cb 1.07 -0.15 -0.01 0.00 -1.05 0.00 0.00 32.46 32.32 1hnf n ARG 146 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1hnf s VAL 147 N -0.48 2.02 -0.09 8.89 1.01 -1.26 -4.85 120.40 125.64 1hnf s VAL 147 Ca 0.16 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1hnf s VAL 147 Cb -0.01 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1hnf s VAL 147 CO 0.10 0.00 0.25 -0.63 0.00 0.00 0.00 175.10 174.83 1hnf s ILE 148 N -0.04 5.31 0.06 2.22 1.01 -0.78 -4.96 121.20 124.03 1hnf s ILE 148 Ca 0.63 0.47 0.09 0.00 0.00 0.00 0.00 60.65 61.84 1hnf s ILE 148 Cb -0.48 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 1hnf s ILE 148 CO 0.49 0.57 -0.24 -0.89 0.00 0.00 0.00 174.94 174.86 1hnf s THR 149 N -0.81 1.99 -0.15 2.92 2.01 -1.26 -1.13 115.64 119.21 1hnf s THR 149 Ca 0.18 -1.40 -0.05 0.00 0.31 0.00 0.00 61.69 60.73 1hnf s THR 149 Cb -0.14 -1.72 0.07 0.00 0.01 0.00 0.00 72.50 70.73 1hnf s THR 149 CO 0.07 0.24 0.28 -2.28 -0.69 0.00 0.00 174.62 172.25 1hnf s HIS 150 N -0.87 -0.48 -0.01 4.92 5.04 0.21 -4.96 115.29 119.14 1hnf s HIS 150 Ca 0.10 0.95 0.02 0.00 -1.54 0.00 0.00 55.06 54.60 1hnf s HIS 150 Cb -0.10 -0.03 -0.03 0.00 0.04 0.00 0.00 32.58 32.46 1hnf s HIS 150 CO 0.03 -0.42 -0.05 0.15 -2.34 0.00 0.00 174.74 172.12 1hnf s LYS 151 N 2.44 2.65 0.22 2.88 1.02 -1.26 -0.15 119.74 127.54 1hnf s LYS 151 Ca 0.02 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.37 1hnf s LYS 151 Cb -0.13 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.61 1hnf s LYS 151 CO -0.10 0.62 0.08 -2.67 -0.92 0.00 0.00 175.35 172.36 1hnf n TRP 152 N 1.59 0.05 0.00 3.18 2.14 -1.13 -4.98 117.44 118.29 1hnf n TRP 152 Ca -0.16 -1.41 0.00 0.00 2.07 0.00 0.00 57.50 58.00 1hnf n TRP 152 Cb 0.53 0.01 0.00 0.00 -0.81 0.00 0.00 31.31 31.03 1hnf n TRP 152 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 1hnf n THR 153 N -0.49 0.00 -1.37 -1.67 -1.04 -1.26 -4.59 114.28 103.86 1hnf n THR 153 Ca -0.03 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.69 1hnf n THR 153 Cb 0.33 -0.28 0.20 0.00 -1.82 0.00 0.00 70.33 68.77 1hnf n THR 153 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1hnf s THR 154 N -1.50 1.80 0.46 12.58 -4.23 -1.26 -4.98 115.64 118.52 1hnf s THR 154 Ca 0.00 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.28 1hnf s THR 154 Cb 0.00 -2.66 -0.07 0.00 1.34 0.00 0.00 72.50 71.11 1hnf s THR 154 CO 0.00 0.00 1.17 -0.44 -0.54 0.00 0.00 174.62 174.81 1hnf s SER 155 N -4.12 6.15 0.01 3.99 0.01 -1.26 -5.00 113.70 113.48 1hnf s SER 155 Ca 0.70 2.32 0.05 0.00 1.31 0.00 0.00 55.95 60.33 1hnf s SER 155 Cb -0.10 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 1hnf s SER 155 CO 0.55 -0.93 -0.14 -0.22 0.41 0.00 0.00 173.24 172.91 1hnf s LEU 156 N -3.02 2.08 -0.42 2.44 2.96 0.70 -4.96 118.68 118.46 1hnf s LEU 156 Ca 0.64 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 54.29 1hnf s LEU 156 Cb -0.29 -0.68 0.24 0.00 0.50 0.00 0.00 46.19 45.96 1hnf s LEU 156 CO 0.35 0.12 0.63 -0.24 -1.32 0.00 0.00 176.35 175.90 1hnf n SER 157 N 2.44 -0.84 -4.76 3.68 2.88 -1.24 0.20 113.62 115.97 1hnf n SER 157 Ca -0.15 -2.87 -0.24 0.00 -1.33 0.00 0.00 58.87 54.27 1hnf n SER 157 Cb 0.55 0.16 -0.07 0.00 -0.75 0.00 0.00 64.21 64.10 1hnf n SER 157 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hnf s ALA 158 N -0.54 3.66 -0.30 -1.46 0.00 0.15 -4.92 121.76 118.36 1hnf s ALA 158 Ca 0.34 -2.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 1hnf s ALA 158 Cb 0.18 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.88 1hnf s ALA 158 CO -0.15 -0.18 -0.00 0.21 0.00 0.00 0.00 175.76 175.64 1hnf s LYS 159 N -3.94 2.35 -0.03 0.00 2.20 -1.26 0.80 119.74 119.85 1hnf s LYS 159 Ca 0.42 -1.33 -0.07 0.00 -0.36 0.00 0.00 55.97 54.63 1hnf s LYS 159 Cb 0.03 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 1hnf s LYS 159 CO 0.23 -0.65 0.23 -0.06 -0.36 0.00 0.00 175.35 174.74 1hnf s PHE 160 N 1.21 3.59 -0.07 4.03 0.40 -0.85 0.15 117.98 126.45 1hnf s PHE 160 Ca -0.04 0.55 0.02 0.00 -0.60 0.00 0.00 56.93 56.85 1hnf s PHE 160 Cb -0.20 -1.97 0.02 0.00 0.51 0.00 0.00 43.02 41.38 1hnf s PHE 160 CO -0.02 0.66 -0.11 0.21 0.70 0.00 0.00 175.22 176.66 1hnf s LYS 161 N -1.54 1.62 -0.14 0.44 2.20 -0.20 -0.81 119.74 121.31 1hnf s LYS 161 Ca 0.24 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.48 1hnf s LYS 161 Cb -0.13 -1.38 0.02 0.00 -1.51 0.00 0.00 37.83 34.83 1hnf s LYS 161 CO 0.13 -0.02 -0.14 0.00 -0.36 0.00 0.00 175.35 174.97 1hnf s THR 163 N 1.38 4.43 -0.02 0.00 -4.23 -0.75 -1.87 115.64 114.58 1hnf s THR 163 Ca 0.02 -0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1hnf s THR 163 Cb -0.13 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.59 1hnf s THR 163 CO -0.08 0.13 0.03 0.00 -0.54 0.00 0.00 174.62 174.16 1hnf s ALA 164 N -1.37 -0.04 0.17 3.99 0.00 -0.97 -1.90 121.76 121.64 1hnf s ALA 164 Ca 0.28 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 52.20 1hnf s ALA 164 Cb -0.12 -0.12 0.05 0.00 0.00 0.00 0.00 23.12 22.93 1hnf s ALA 164 CO 0.21 -0.04 0.57 0.20 0.00 0.00 0.00 175.76 176.70 1hnf s GLY 165 N 0.34 -0.42 0.00 0.00 0.00 -0.90 -1.34 107.32 105.00 1hnf s GLY 165 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1hnf s GLY 165 CO -0.01 -0.01 0.00 1.16 0.00 0.00 0.00 173.10 174.24 1hnf n ASN 166 N -0.36 0.00 0.24 1.64 0.23 -0.82 -1.18 115.26 115.01 1hnf n ASN 166 Ca -0.14 -0.44 0.08 0.00 -0.53 0.00 0.00 54.58 53.55 1hnf n ASN 166 Cb 0.64 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.93 1hnf n ASN 166 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1hnf h LYS 167 N 0.00 0.00 0.00 -3.83 1.79 -1.91 -3.28 116.57 109.34 1hnf h LYS 167 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1hnf h LYS 167 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1hnf h LYS 167 CO 0.00 0.16 -0.56 1.33 -1.08 0.00 0.00 179.45 179.30 1hnf n VAL 168 N -4.06 0.00 -3.89 0.50 0.24 -1.26 -5.05 118.33 104.81 1hnf n VAL 168 Ca -0.02 -0.24 -0.08 0.00 -2.04 0.00 0.00 64.34 61.96 1hnf n VAL 168 Cb 0.24 0.98 -0.04 0.00 -1.47 0.00 0.00 33.84 33.55 1hnf n VAL 168 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1hnf s SER 169 N -2.10 -0.19 -0.20 -1.34 1.04 -1.24 -5.00 113.70 104.67 1hnf s SER 169 Ca 0.04 -0.71 -0.08 0.00 0.48 0.00 0.00 55.95 55.67 1hnf s SER 169 Cb 0.08 0.64 0.08 0.00 0.10 0.00 0.00 66.02 66.92 1hnf s SER 169 CO 0.46 -1.20 0.44 -0.75 0.98 0.00 0.00 173.24 173.17 1hnf s LYS 170 N -3.95 0.38 0.25 4.02 2.47 -1.26 -1.94 119.74 119.71 1hnf s LYS 170 Ca 0.15 0.97 0.09 0.00 -1.56 0.00 0.00 55.97 55.62 1hnf s LYS 170 Cb -0.03 0.21 -0.05 0.00 -1.46 0.00 0.00 37.83 36.50 1hnf s LYS 170 CO 0.06 -0.21 -0.13 -2.00 0.16 0.00 0.00 175.35 173.23 1hnf s GLU 171 N 2.13 1.51 -0.02 4.03 2.56 -0.45 -5.03 118.70 123.43 1hnf s GLU 171 Ca -0.05 -1.71 -0.18 0.00 0.00 0.00 0.00 54.97 53.02 1hnf s GLU 171 Cb -0.10 -1.32 0.03 0.00 2.00 0.00 0.00 34.13 34.74 1hnf s GLU 171 CO -0.13 0.17 0.39 0.45 -0.56 0.00 0.00 175.26 175.58 1hnf s SER 172 N -3.42 -0.29 -0.09 -1.70 0.15 -1.26 -2.30 113.70 104.78 1hnf s SER 172 Ca 0.27 0.21 -0.05 0.00 0.70 0.00 0.00 55.95 57.08 1hnf s SER 172 Cb -0.00 0.37 0.04 0.00 -1.71 0.00 0.00 66.02 64.71 1hnf s SER 172 CO 0.11 -0.50 0.21 -0.44 1.20 0.00 0.00 173.24 173.82 1hnf s SER 173 N -1.35 -0.21 -0.07 5.45 0.01 -0.78 -4.75 113.70 111.99 1hnf s SER 173 Ca -0.12 0.44 0.04 0.00 1.31 0.00 0.00 55.95 57.62 1hnf s SER 173 Cb -0.04 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 1hnf s SER 173 CO 0.05 -0.15 -0.19 0.68 0.41 0.00 0.00 173.24 174.04 1hnf s VAL 174 N 1.13 2.60 -0.04 3.43 -7.23 -1.26 -1.25 120.40 117.78 1hnf s VAL 174 Ca -0.08 -0.87 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 1hnf s VAL 174 Cb -0.10 -2.01 0.03 0.00 0.56 0.00 0.00 36.38 34.86 1hnf s VAL 174 CO -0.07 0.57 0.05 -0.70 -0.31 0.00 0.00 175.10 174.64 1hnf s GLU 175 N -0.21 -0.03 -0.13 4.82 2.56 0.01 -4.99 118.70 120.72 1hnf s GLU 175 Ca -0.01 0.35 -0.29 0.00 0.00 0.00 0.00 54.97 55.02 1hnf s GLU 175 Cb -0.13 -0.52 -0.02 0.00 2.00 0.00 0.00 34.13 35.45 1hnf s GLU 175 CO 0.03 -0.32 1.35 -1.25 -0.56 0.00 0.00 175.26 174.52 1hnf s PRO 176 N 2.07 4.22 -0.12 4.30 0.04 -1.26 -2.01 135.00 142.24 1hnf s PRO 176 Ca 0.04 1.79 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 1hnf s PRO 176 Cb -0.12 -3.81 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 1hnf s PRO 176 CO -0.03 -0.73 -0.01 0.08 0.04 0.00 0.00 177.00 176.35 1hnf s VAL 177 N 3.56 4.17 -0.18 -0.36 1.01 0.24 -4.99 120.40 123.85 1hnf s VAL 177 Ca 0.59 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 1hnf s VAL 177 Cb -0.25 -2.79 0.06 0.00 0.00 0.00 0.00 36.38 33.40 1hnf s VAL 177 CO 0.18 0.54 0.05 -0.44 0.00 0.00 0.00 175.10 175.43 1hnf s SER 178 N -0.23 2.63 -0.30 3.32 0.01 -1.25 -0.67 113.70 117.20 1hnf s SER 178 Ca 0.05 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 56.65 1hnf s SER 178 Cb -0.12 -0.49 0.08 0.00 0.21 0.00 0.00 66.02 65.70 1hnf s SER 178 CO 0.02 -0.31 -0.01 0.00 0.41 0.00 0.00 173.24 173.36 1hnf h PRO 180 N 7.71 0.00 -6.66 0.00 0.11 -1.96 0.20 132.00 131.41 1hnf h PRO 180 Ca -0.10 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.56 1hnf h PRO 180 Cb 1.03 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.15 1hnf h PRO 180 CO 0.49 0.42 -1.12 0.39 -0.21 0.00 0.00 178.00 177.97 1hnf n GLU 181 N -3.72 -1.68 0.00 1.05 1.02 -1.26 -4.79 120.64 111.26 1hnf n GLU 181 Ca -0.01 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 58.13 1hnf n GLU 181 Cb 0.50 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 1hnf n GLU 181 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48