#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hf2 s PHE 4 N 0.00 3.54 -0.20 -0.67 0.40 -1.26 -1.76 117.98 118.03 1hf2 s PHE 4 Ca 0.00 0.71 -0.17 0.00 -0.60 0.00 0.00 56.93 56.87 1hf2 s PHE 4 Cb 0.00 -2.21 0.05 0.00 0.51 0.00 0.00 43.02 41.38 1hf2 s PHE 4 CO 0.00 -0.17 0.52 0.15 0.70 0.00 0.00 175.22 176.42 1hf2 s LYS 5 N -4.58 0.59 -0.32 0.44 1.02 -0.68 -4.93 119.74 111.29 1hf2 s LYS 5 Ca 0.46 0.76 -0.14 0.00 0.02 0.00 0.00 55.97 57.07 1hf2 s LYS 5 Cb -0.10 0.26 -0.02 0.00 -0.52 0.00 0.00 37.83 37.44 1hf2 s LYS 5 CO 0.42 -0.09 0.29 1.41 -0.92 0.00 0.00 175.35 176.46 1hf2 s MET 6 N 0.47 3.68 0.43 1.68 -2.45 -1.26 -1.18 119.30 120.68 1hf2 s MET 6 Ca -0.02 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.02 1hf2 s MET 6 Cb -0.04 -3.76 -0.00 0.00 1.25 0.00 0.00 34.83 32.28 1hf2 s MET 6 CO -0.02 -0.39 0.01 0.25 1.05 0.00 0.00 175.02 175.92 1hf2 n THR 7 N 5.15 0.00 1.05 10.11 -2.24 -0.89 -4.98 114.28 122.48 1hf2 n THR 7 Ca -0.11 -2.08 0.09 0.00 -2.27 0.00 0.00 64.05 59.67 1hf2 n THR 7 Cb 0.50 0.46 0.51 0.00 -2.10 0.00 0.00 70.33 69.69 1hf2 n THR 7 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hf2 n LYS 8 N -1.06 0.50 0.00 -0.78 5.02 -1.26 -1.34 118.16 119.24 1hf2 n LYS 8 Ca -0.17 0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.24 1hf2 n LYS 8 Cb 0.56 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.98 1hf2 n LYS 8 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1hf2 n GLU 9 N -1.04 0.02 0.00 1.97 -0.58 -1.26 -5.08 120.64 114.67 1hf2 n GLU 9 Ca 0.12 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1hf2 n GLU 9 Cb 0.07 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 1hf2 n GLU 9 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hf2 n GLY 10 N 1.49 -0.62 3.72 0.62 0.00 -0.45 -4.93 105.19 105.02 1hf2 n GLY 10 Ca 0.04 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1hf2 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hf2 s LEU 11 N 0.00 4.38 -0.07 0.99 0.20 -1.26 -2.09 118.68 120.84 1hf2 s LEU 11 Ca 0.00 2.37 0.00 0.00 0.69 0.00 0.00 54.13 57.19 1hf2 s LEU 11 Cb 0.00 -3.60 0.02 0.00 -0.43 0.00 0.00 46.19 42.19 1hf2 s LEU 11 CO 0.00 -0.62 -0.05 -0.69 -0.29 0.00 0.00 176.35 174.70 1hf2 s VAL 12 N 0.77 0.66 -0.41 1.68 1.01 -0.32 -0.96 120.40 122.82 1hf2 s VAL 12 Ca 0.62 -0.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.25 1hf2 s VAL 12 Cb -0.37 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1hf2 s VAL 12 CO 0.33 0.28 0.71 -0.22 0.00 0.00 0.00 175.10 176.20 1hf2 s LEU 13 N 1.29 4.28 -0.16 3.92 2.96 0.21 -1.69 118.68 129.49 1hf2 s LEU 13 Ca -0.05 -0.00 -0.15 0.00 -0.22 0.00 0.00 54.13 53.72 1hf2 s LEU 13 Cb -0.14 -2.88 -0.05 0.00 0.50 0.00 0.00 46.19 43.63 1hf2 s LEU 13 CO -0.02 -0.77 0.32 -0.22 -1.32 0.00 0.00 176.35 174.35 1hf2 s LEU 14 N 3.00 4.23 -0.22 -0.68 0.20 -0.72 -1.98 118.68 122.51 1hf2 s LEU 14 Ca 0.27 0.54 0.02 0.00 0.69 0.00 0.00 54.13 55.64 1hf2 s LEU 14 Cb -0.13 -2.42 0.05 0.00 -0.43 0.00 0.00 46.19 43.25 1hf2 s LEU 14 CO 0.19 0.07 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.57 1hf2 s ILE 15 N 0.59 1.86 0.57 6.68 1.01 -0.31 -3.96 121.20 127.64 1hf2 s ILE 15 Ca 0.18 -1.24 -0.18 0.00 0.00 0.00 0.00 60.65 59.41 1hf2 s ILE 15 Cb -0.13 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1hf2 s ILE 15 CO 0.05 0.12 1.08 -0.54 0.00 0.00 0.00 174.94 175.65 1hf2 s LYS 16 N 1.28 3.35 0.23 2.79 1.02 -1.26 -1.25 119.74 125.90 1hf2 s LYS 16 Ca -0.04 1.37 -0.30 0.00 0.02 0.00 0.00 55.97 57.03 1hf2 s LYS 16 Cb -0.17 -2.03 -0.15 0.00 -0.52 0.00 0.00 37.83 34.96 1hf2 s LYS 16 CO -0.07 -0.81 0.96 -3.47 -0.92 0.00 0.00 175.35 171.04 1hf2 n ASP 17 N -1.66 0.79 -0.26 2.83 2.03 -1.26 -4.75 116.55 114.27 1hf2 n ASP 17 Ca 0.10 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.57 1hf2 n ASP 17 Cb 0.52 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1hf2 n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hf2 n TYR 18 N 0.59 0.00 0.00 -0.67 0.18 -1.26 -5.06 117.16 110.93 1hf2 n TYR 18 Ca 0.13 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.91 1hf2 n TYR 18 Cb 0.28 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.24 1hf2 n TYR 18 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 1hf2 n GLN 19 N 0.00 0.25 -4.32 -3.48 1.13 -1.26 -5.09 117.38 104.61 1hf2 n GLN 19 Ca 0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 1hf2 n GLN 19 Cb 0.00 -0.80 -0.10 0.00 0.11 0.00 0.00 30.24 29.45 1hf2 n GLN 19 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1hf2 s ASN 20 N -3.45 4.03 -0.16 1.08 4.22 -1.26 -5.06 114.94 114.34 1hf2 s ASN 20 Ca 0.00 -0.63 -0.16 0.00 -2.14 0.00 0.00 52.86 49.93 1hf2 s ASN 20 Cb 0.00 -0.60 -0.23 0.00 1.28 0.00 0.00 41.25 41.70 1hf2 s ASN 20 CO 0.00 0.12 0.35 0.25 -2.04 0.00 0.00 177.10 175.78 1hf2 h LEU 21 N 3.11 0.21 -0.88 3.54 6.46 -2.00 -3.35 115.31 122.40 1hf2 h LEU 21 Ca -0.47 -0.73 0.22 0.00 -0.12 0.00 0.00 57.88 56.78 1hf2 h LEU 21 Cb 1.20 -0.07 -0.16 0.00 -0.73 0.00 0.00 40.66 40.90 1hf2 h LEU 21 CO 0.52 1.61 -0.01 -0.33 -0.62 0.00 0.00 178.44 179.61 1hf2 h GLU 22 N -0.54 0.06 0.12 1.25 4.39 -2.01 -0.97 114.58 116.89 1hf2 h GLU 22 Ca -0.35 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 1hf2 h GLU 22 Cb 1.61 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.25 1hf2 h GLU 22 CO -0.06 0.04 -0.06 1.49 -1.16 0.00 0.00 179.01 179.26 1hf2 h GLU 23 N 0.06 -0.15 -1.27 2.33 4.22 -2.01 -2.79 114.58 114.97 1hf2 h GLU 23 Ca 0.50 0.01 0.37 0.00 0.08 0.00 0.00 59.36 60.32 1hf2 h GLU 23 Cb 0.94 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.13 1hf2 h GLU 23 CO -0.81 0.12 0.85 0.28 -2.18 0.00 0.00 179.01 177.28 1hf2 h VAL 24 N -0.43 0.31 -0.19 0.32 2.07 -1.32 0.67 116.25 117.69 1hf2 h VAL 24 Ca -0.02 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 1hf2 h VAL 24 Cb 0.35 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1hf2 h VAL 24 CO 0.03 0.03 -0.22 -0.07 0.02 0.00 0.00 177.57 177.36 1hf2 h LEU 25 N 0.16 0.51 -1.50 2.57 3.38 -1.18 -3.17 115.31 116.08 1hf2 h LEU 25 Ca 0.70 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1hf2 h LEU 25 Cb 2.28 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.87 1hf2 h LEU 25 CO -0.24 0.91 0.17 0.78 0.09 0.00 0.00 178.44 180.14 1hf2 h ASN 26 N 0.13 0.45 1.06 -0.43 -0.26 0.52 -1.05 115.58 116.00 1hf2 h ASN 26 Ca 0.03 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1hf2 h ASN 26 Cb 0.78 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.92 1hf2 h ASN 26 CO 0.05 0.39 0.00 0.00 -1.06 0.00 0.00 177.43 176.81 1hf2 h ALA 27 N 1.68 1.00 0.06 -0.83 0.00 -1.25 -2.93 119.26 117.00 1hf2 h ALA 27 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.68 1hf2 h ALA 27 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1hf2 h ALA 27 CO -0.02 0.00 -2.05 -0.89 0.00 0.00 0.00 179.25 176.30 1hf2 n ILE 28 N -2.34 1.64 1.63 0.00 5.41 -0.50 -2.91 119.36 122.30 1hf2 n ILE 28 Ca 0.03 -0.50 0.04 0.00 1.00 0.00 0.00 62.75 63.33 1hf2 n ILE 28 Cb 0.32 -1.72 0.25 0.00 -0.71 0.00 0.00 39.64 37.77 1hf2 n ILE 28 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1hf2 n SER 29 N -3.67 0.00 0.00 4.38 3.41 -0.61 -2.05 113.62 115.08 1hf2 n SER 29 Ca -0.38 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 1hf2 n SER 29 Cb 0.95 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 1hf2 n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hf2 n ALA 30 N -0.66 1.96 0.12 7.33 0.00 -1.11 -4.38 120.51 123.77 1hf2 n ALA 30 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 1hf2 n ALA 30 Cb 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.34 1hf2 n ALA 30 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1hf2 h ARG 31 N 0.00 0.48 -0.00 0.00 9.65 -1.28 -2.98 114.38 120.24 1hf2 h ARG 31 Ca 0.00 -0.74 0.00 0.00 -1.10 0.00 0.00 59.98 58.14 1hf2 h ARG 31 Cb 0.00 0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1hf2 h ARG 31 CO 0.00 1.34 -0.10 -0.89 2.80 0.00 0.00 179.97 183.12 1hf2 n ILE 32 N -3.69 0.00 -0.01 1.20 5.41 -1.11 -2.36 119.36 118.80 1hf2 n ILE 32 Ca -0.13 -0.07 -0.10 0.00 1.00 0.00 0.00 62.75 63.45 1hf2 n ILE 32 Cb 1.03 -0.06 -0.14 0.00 -0.71 0.00 0.00 39.64 39.76 1hf2 n ILE 32 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1hf2 h THR 33 N 0.68 0.92 -0.27 1.39 2.02 -1.75 -3.29 112.91 112.61 1hf2 h THR 33 Ca 0.00 -2.75 0.00 0.00 0.77 0.00 0.00 66.41 64.43 1hf2 h THR 33 Cb 0.35 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1hf2 h THR 33 CO 0.00 0.57 0.00 0.00 0.37 0.00 0.00 175.52 176.46 1hf2 n GLN 34 N -3.12 2.10 0.00 6.66 -0.00 -1.13 -4.29 117.38 117.59 1hf2 n GLN 34 Ca -0.16 -1.86 0.05 0.00 -0.00 0.00 0.00 57.00 55.03 1hf2 n GLN 34 Cb 1.04 -1.31 -0.03 0.00 -0.00 0.00 0.00 30.24 29.94 1hf2 n GLN 34 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1hf2 n MET 35 N 0.78 2.85 0.00 2.61 2.81 -1.00 -4.98 117.12 120.19 1hf2 n MET 35 Ca 0.12 -0.31 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 1hf2 n MET 35 Cb 0.42 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 1hf2 n MET 35 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hf2 n GLY 36 N 1.08 0.54 1.15 3.03 0.00 -1.24 -4.83 105.19 104.92 1hf2 n GLY 36 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.20 1hf2 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hf2 n GLY 37 N 0.00 -2.56 2.67 -0.02 0.00 -1.26 -4.97 105.19 99.04 1hf2 n GLY 37 Ca 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 1hf2 n GLY 37 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1hf2 n PHE 38 N -3.95 -0.76 -0.25 1.61 7.35 -1.26 -4.97 117.46 115.24 1hf2 n PHE 38 Ca -0.03 -0.92 0.00 0.00 -0.76 0.00 0.00 57.45 55.74 1hf2 n PHE 38 Cb 0.54 1.23 0.00 0.00 0.35 0.00 0.00 39.48 41.60 1hf2 n PHE 38 CO 0.00 0.00 0.00 1.97 -0.76 0.00 0.00 176.76 177.97 1hf2 n PHE 39 N 0.56 0.00 0.00 -5.13 1.16 -1.26 -5.10 117.46 107.69 1hf2 n PHE 39 Ca -0.04 -0.12 0.00 0.00 -1.87 0.00 0.00 57.45 55.42 1hf2 n PHE 39 Cb 0.75 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.61 1hf2 n PHE 39 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1hf2 n ALA 40 N -0.12 0.00 -0.04 1.98 0.00 -1.26 -3.08 120.51 118.00 1hf2 n ALA 40 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1hf2 n ALA 40 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 1hf2 n ALA 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1hf2 n LYS 41 N 14.00 0.24 0.07 0.00 0.00 -1.26 -4.76 118.16 126.45 1hf2 n LYS 41 Ca 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 58.31 58.30 1hf2 n LYS 41 Cb 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 35.03 34.06 1hf2 n LYS 41 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1hf2 h GLY 42 N -0.44 -0.43 -2.04 3.14 0.00 -1.84 -3.43 103.07 98.03 1hf2 h GLY 42 Ca -0.16 0.32 -0.31 0.00 0.00 0.00 0.00 47.33 47.18 1hf2 h GLY 42 CO -0.10 -0.22 -0.58 1.22 0.00 0.00 0.00 176.54 176.87 1hf2 n ASP 43 N -5.38 -1.83 -4.27 0.19 8.00 -1.18 -4.75 116.55 107.34 1hf2 n ASP 43 Ca -0.05 0.34 -0.17 0.00 0.71 0.00 0.00 54.79 55.62 1hf2 n ASP 43 Cb 0.29 -0.43 -0.11 0.00 -0.02 0.00 0.00 41.12 40.86 1hf2 n ASP 43 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1hf2 s ARG 44 N -0.51 1.11 0.15 -1.24 0.52 -1.26 -3.36 118.95 114.35 1hf2 s ARG 44 Ca 0.29 -1.38 -0.00 0.00 -0.52 0.00 0.00 55.73 54.12 1hf2 s ARG 44 Cb -0.26 -0.89 -0.04 0.00 0.52 0.00 0.00 34.95 34.28 1hf2 s ARG 44 CO 0.33 0.15 0.05 0.96 0.02 0.00 0.00 175.30 176.81 1hf2 s ILE 45 N -2.65 0.24 0.15 1.52 -4.36 0.25 -4.72 121.20 111.63 1hf2 s ILE 45 Ca 0.14 -1.93 0.05 0.00 -0.26 0.00 0.00 60.65 58.65 1hf2 s ILE 45 Cb -0.02 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.56 1hf2 s ILE 45 CO 0.03 -0.44 0.11 -0.44 0.24 0.00 0.00 174.94 174.44 1hf2 s SER 46 N -3.09 5.46 -0.10 4.36 0.01 -0.14 -0.35 113.70 119.85 1hf2 s SER 46 Ca 0.25 -0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.42 1hf2 s SER 46 Cb 0.07 -1.42 -0.00 0.00 0.21 0.00 0.00 66.02 64.89 1hf2 s SER 46 CO 0.03 0.09 -0.24 -0.22 0.41 0.00 0.00 173.24 173.31 1hf2 s LEU 47 N -2.94 2.08 -0.01 2.44 2.96 -0.33 -0.62 118.68 122.25 1hf2 s LEU 47 Ca 0.30 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1hf2 s LEU 47 Cb -0.10 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 1hf2 s LEU 47 CO 0.23 0.16 -0.09 -0.32 -1.32 0.00 0.00 176.35 175.01 1hf2 s MET 48 N 0.33 0.70 -0.03 1.98 -2.45 -0.84 0.90 119.30 119.89 1hf2 s MET 48 Ca -0.18 -0.31 0.00 0.00 -1.25 0.00 0.00 55.69 53.95 1hf2 s MET 48 Cb -0.18 -0.68 0.03 0.00 1.25 0.00 0.00 34.83 35.25 1hf2 s MET 48 CO 0.09 0.18 -0.00 0.42 1.05 0.00 0.00 175.02 176.76 1hf2 s ILE 49 N -0.19 0.21 0.55 10.11 1.01 -1.25 -1.17 121.20 130.47 1hf2 s ILE 49 Ca 0.03 0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.55 1hf2 s ILE 49 Cb -0.03 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 42.09 1hf2 s ILE 49 CO -0.00 0.15 1.22 -1.61 0.00 0.00 0.00 174.94 174.70 1hf2 s GLU 50 N 1.01 3.20 -1.52 2.79 2.02 -0.38 -2.68 118.70 123.14 1hf2 s GLU 50 Ca -0.10 1.88 -0.05 0.00 0.02 0.00 0.00 54.97 56.73 1hf2 s GLU 50 Cb -0.14 -2.10 0.04 0.00 0.10 0.00 0.00 34.13 32.03 1hf2 s GLU 50 CO -0.02 -1.04 0.40 -1.71 0.02 0.00 0.00 175.26 172.92 1hf2 n ASN 51 N -1.22 -0.67 -0.26 -0.19 4.05 -1.26 -4.25 115.26 111.46 1hf2 n ASN 51 Ca 0.11 -1.08 0.07 0.00 0.45 0.00 0.00 54.58 54.13 1hf2 n ASN 51 Cb 0.48 -2.61 0.18 0.00 1.23 0.00 0.00 39.78 39.07 1hf2 n ASN 51 CO 0.00 0.00 0.00 1.12 -3.05 0.00 0.00 177.26 175.33 1hf2 h HIS 52 N -1.72 0.08 0.00 1.20 2.07 -1.85 0.14 115.15 115.07 1hf2 h HIS 52 Ca -0.63 0.05 0.00 0.00 -2.85 0.00 0.00 60.37 56.94 1hf2 h HIS 52 Cb 1.38 0.09 0.00 0.00 2.57 0.00 0.00 27.41 31.45 1hf2 h HIS 52 CO 0.53 -0.21 0.38 0.09 -3.07 0.00 0.00 177.93 175.66 1hf2 n ASN 53 N -5.29 0.22 -0.31 3.10 4.13 -1.26 0.12 115.26 115.96 1hf2 n ASN 53 Ca 0.15 0.44 0.11 0.00 1.68 0.00 0.00 54.58 56.96 1hf2 n ASN 53 Cb 0.51 -0.36 0.01 0.00 -1.54 0.00 0.00 39.78 38.40 1hf2 n ASN 53 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1hf2 n LYS 54 N -1.85 0.78 -0.10 3.52 4.81 0.49 -4.51 118.16 121.31 1hf2 n LYS 54 Ca -0.01 -0.63 0.01 0.00 -0.87 0.00 0.00 58.31 56.81 1hf2 n LYS 54 Cb 0.40 -1.49 0.01 0.00 0.02 0.00 0.00 35.03 33.97 1hf2 n LYS 54 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1hf2 n HIS 55 N -0.56 0.00 -0.27 5.64 8.25 0.33 -4.89 115.22 123.72 1hf2 n HIS 55 Ca 0.08 -0.17 0.08 0.00 -0.26 0.00 0.00 57.72 57.45 1hf2 n HIS 55 Cb 0.41 -0.03 0.21 0.00 1.12 0.00 0.00 29.99 31.71 1hf2 n HIS 55 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1hf2 h SER 56 N 0.00 -0.08 0.00 0.41 0.02 -1.68 0.15 113.55 112.37 1hf2 h SER 56 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1hf2 h SER 56 Cb 0.98 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1hf2 h SER 56 CO 0.00 -0.11 0.05 1.67 -1.14 0.00 0.00 176.83 177.29 1hf2 n GLN 57 N -5.23 0.11 0.02 3.45 7.27 -1.26 -1.82 117.38 119.93 1hf2 n GLN 57 Ca 0.17 0.61 0.11 0.00 0.07 0.00 0.00 57.00 57.95 1hf2 n GLN 57 Cb 0.54 -1.92 0.03 0.00 2.41 0.00 0.00 30.24 31.30 1hf2 n GLN 57 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1hf2 n ASP 58 N -2.12 0.64 -0.26 1.69 8.00 0.52 -4.47 116.55 120.54 1hf2 n ASP 58 Ca -0.01 -0.31 0.02 0.00 0.71 0.00 0.00 54.79 55.21 1hf2 n ASP 58 Cb 0.07 0.76 0.15 0.00 -0.02 0.00 0.00 41.12 42.08 1hf2 n ASP 58 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1hf2 h ILE 59 N 0.00 0.85 -0.64 0.53 2.04 -1.42 -1.84 117.51 117.03 1hf2 h ILE 59 Ca 0.00 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.68 1hf2 h ILE 59 Cb 0.67 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1hf2 h ILE 59 CO 0.00 0.12 0.37 -0.65 0.00 0.00 0.00 178.15 177.99 1hf2 h PRO 60 N 0.66 0.68 -0.17 2.37 0.11 -1.80 -0.61 132.00 133.24 1hf2 h PRO 60 Ca 0.38 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.39 1hf2 h PRO 60 Cb 0.40 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 1hf2 h PRO 60 CO -0.27 0.45 -0.09 0.00 -0.21 0.00 0.00 178.00 177.88 1hf2 h ARG 61 N 0.70 0.36 -0.88 1.05 3.08 -1.77 -1.69 114.38 115.24 1hf2 h ARG 61 Ca 0.28 -0.16 0.07 0.00 0.07 0.00 0.00 59.98 60.23 1hf2 h ARG 61 Cb 0.12 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1hf2 h ARG 61 CO -0.15 0.67 0.54 0.82 -1.07 0.00 0.00 179.97 180.79 1hf2 h ILE 62 N 0.03 1.03 -0.20 2.04 2.04 -1.20 0.94 117.51 122.20 1hf2 h ILE 62 Ca 0.04 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1hf2 h ILE 62 Cb 0.57 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1hf2 h ILE 62 CO 0.03 0.18 -0.22 0.58 0.00 0.00 0.00 178.15 178.71 1hf2 h VAL 63 N 0.98 1.24 0.11 1.67 2.07 -1.02 -1.40 116.25 119.91 1hf2 h VAL 63 Ca 0.39 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1hf2 h VAL 63 Cb 0.19 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1hf2 h VAL 63 CO -0.18 0.35 -0.06 0.28 0.02 0.00 0.00 177.57 177.99 1hf2 h SER 64 N 0.32 -0.13 -0.98 0.57 0.02 0.06 -1.50 113.55 111.91 1hf2 h SER 64 Ca 0.05 -0.44 0.16 0.00 -0.84 0.00 0.00 61.79 60.73 1hf2 h SER 64 Cb 0.57 0.03 -0.09 0.00 0.14 0.00 0.00 62.40 63.06 1hf2 h SER 64 CO 0.04 0.46 0.61 -0.74 -1.14 0.00 0.00 176.83 176.06 1hf2 h HIS 65 N -0.82 0.99 -0.13 3.45 6.17 0.82 0.39 115.15 126.02 1hf2 h HIS 65 Ca -0.02 0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.03 1hf2 h HIS 65 Cb 0.56 -0.31 -0.00 0.00 2.52 0.00 0.00 27.41 30.18 1hf2 h HIS 65 CO 0.11 0.31 -0.16 1.25 0.71 0.00 0.00 177.93 180.14 1hf2 h LEU 66 N 0.79 0.37 -1.63 0.26 5.85 -1.30 -2.79 115.31 116.86 1hf2 h LEU 66 Ca 0.52 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1hf2 h LEU 66 Cb 0.77 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1hf2 h LEU 66 CO -0.29 0.80 0.00 -0.09 -0.34 0.00 0.00 178.44 178.52 1hf2 h ARG 67 N -0.06 0.00 0.00 1.25 2.43 -0.12 0.25 114.38 118.14 1hf2 h ARG 67 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1hf2 h ARG 67 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1hf2 h ARG 67 CO 0.04 0.00 0.00 -0.91 -1.51 0.00 0.00 179.97 177.59 1hf2 h ASN 68 N 0.00 0.00 -0.51 -3.80 -0.26 0.00 -2.53 115.58 108.48 1hf2 h ASN 68 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1hf2 h ASN 68 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 1hf2 h ASN 68 CO 0.00 0.00 0.00 0.18 -1.06 0.00 0.00 177.43 176.55 1hf2 n LEU 69 N -2.72 4.31 0.00 1.61 4.77 0.03 -4.96 117.00 120.04 1hf2 n LEU 69 Ca 0.03 -2.51 0.00 0.00 -0.03 0.00 0.00 56.01 53.51 1hf2 n LEU 69 Cb 0.40 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1hf2 n LEU 69 CO 0.29 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1hf2 n GLY 70 N 0.65 0.93 3.85 -0.72 0.00 -0.95 -5.05 105.19 103.89 1hf2 n GLY 70 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1hf2 n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hf2 s LEU 71 N 0.00 4.38 -0.26 0.99 1.02 -0.93 -4.50 118.68 119.38 1hf2 s LEU 71 Ca 0.00 0.57 -0.07 0.00 0.02 0.00 0.00 54.13 54.65 1hf2 s LEU 71 Cb 0.00 -2.22 -0.02 0.00 0.02 0.00 0.00 46.19 43.98 1hf2 s LEU 71 CO 0.00 0.35 0.07 -1.61 0.02 0.00 0.00 176.35 175.18 1hf2 s GLU 72 N -0.81 3.48 -0.08 1.70 0.41 -1.21 -2.74 118.70 119.44 1hf2 s GLU 72 Ca 0.17 -0.60 -0.30 0.00 -0.41 0.00 0.00 54.97 53.83 1hf2 s GLU 72 Cb -0.13 -3.34 -0.03 0.00 -1.78 0.00 0.00 34.13 28.85 1hf2 s GLU 72 CO 0.06 -0.27 1.17 0.08 -0.49 0.00 0.00 175.26 175.80 1hf2 s VAL 73 N 1.58 4.37 -0.10 2.63 1.01 -1.26 -0.58 120.40 128.04 1hf2 s VAL 73 Ca 0.05 1.68 0.17 0.00 0.00 0.00 0.00 61.98 63.88 1hf2 s VAL 73 Cb -0.16 -4.08 -0.26 0.00 0.00 0.00 0.00 36.38 31.89 1hf2 s VAL 73 CO 0.03 -0.02 0.24 -1.54 0.00 0.00 0.00 175.10 173.81 1hf2 n SER 74 N 5.31 0.64 -3.43 3.32 3.41 0.52 -4.70 113.62 118.69 1hf2 n SER 74 Ca 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.60 1hf2 n SER 74 Cb 0.47 1.40 -0.02 0.00 -0.26 0.00 0.00 64.21 65.80 1hf2 n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hf2 s GLN 75 N -2.88 1.25 -0.15 4.33 -2.07 -1.25 -1.43 119.66 117.46 1hf2 s GLN 75 Ca -0.08 -0.45 0.00 0.00 -1.82 0.00 0.00 55.36 53.02 1hf2 s GLN 75 Cb 0.09 0.58 0.00 0.00 -1.09 0.00 0.00 33.01 32.58 1hf2 s GLN 75 CO 0.76 -0.54 -0.16 0.42 -1.32 0.00 0.00 175.29 174.44 1hf2 s ILE 76 N -3.67 2.58 -0.07 3.63 1.01 0.29 -1.19 121.20 123.78 1hf2 s ILE 76 Ca 0.01 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1hf2 s ILE 76 Cb -0.01 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 1hf2 s ILE 76 CO -0.12 0.52 -0.00 -0.76 0.00 0.00 0.00 174.94 174.57 1hf2 s LEU 77 N 0.84 3.54 0.00 2.97 1.43 0.26 -1.26 118.68 126.45 1hf2 s LEU 77 Ca -0.05 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1hf2 s LEU 77 Cb -0.15 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1hf2 s LEU 77 CO -0.01 0.36 0.00 0.52 0.23 0.00 0.00 176.35 177.46 1hf2 n VAL 78 N 2.01 0.00 -0.03 -1.59 0.31 -1.26 -3.87 118.33 113.91 1hf2 n VAL 78 Ca -0.18 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1hf2 n VAL 78 Cb 0.53 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1hf2 n VAL 78 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1hf2 n SER 93 N -0.36 0.00 -3.73 4.52 2.88 -1.26 -4.47 113.62 111.20 1hf2 n SER 93 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1hf2 n SER 93 Cb 0.00 -0.10 -0.15 0.00 -0.75 0.00 0.00 64.21 63.20 1hf2 n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hf2 s ARG 94 N -0.21 0.05 0.06 -1.46 1.70 -1.26 -5.00 118.95 112.84 1hf2 s ARG 94 Ca 0.00 0.39 0.09 0.00 -0.47 0.00 0.00 55.73 55.74 1hf2 s ARG 94 Cb 0.00 -0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.12 1hf2 s ARG 94 CO 0.00 -0.21 -0.26 -0.08 -1.08 0.00 0.00 175.30 173.68 1hf2 s THR 95 N 1.46 2.24 -0.25 4.99 -1.32 -0.39 -4.93 115.64 117.45 1hf2 s THR 95 Ca -0.06 -1.46 -0.16 0.00 -1.21 0.00 0.00 61.69 58.81 1hf2 s THR 95 Cb -0.12 -1.91 -0.04 0.00 -1.51 0.00 0.00 72.50 68.93 1hf2 s THR 95 CO -0.05 0.30 0.42 0.42 -2.21 0.00 0.00 174.62 173.49 1hf2 s THR 96 N -0.88 5.15 0.48 5.08 -4.23 0.19 -0.55 115.64 120.89 1hf2 s THR 96 Ca 0.13 0.69 -0.00 0.00 -1.18 0.00 0.00 61.69 61.33 1hf2 s THR 96 Cb -0.10 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.00 1hf2 s THR 96 CO 0.03 0.17 0.71 0.68 -0.54 0.00 0.00 174.62 175.67 1hf2 s VAL 97 N 1.90 3.75 -0.30 2.29 -7.23 -0.51 -0.50 120.40 119.80 1hf2 s VAL 97 Ca 0.18 -0.47 -0.05 0.00 -1.81 0.00 0.00 61.98 59.83 1hf2 s VAL 97 Cb -0.15 -3.40 0.19 0.00 0.56 0.00 0.00 36.38 33.57 1hf2 s VAL 97 CO 0.09 -0.30 0.82 -1.83 -0.31 0.00 0.00 175.10 173.57 1hf2 s GLU 98 N -4.64 0.37 -0.71 4.82 -1.05 -1.03 -4.74 118.70 111.73 1hf2 s GLU 98 Ca 0.50 0.51 -0.02 0.00 -0.15 0.00 0.00 54.97 55.81 1hf2 s GLU 98 Cb -0.10 0.27 0.31 0.00 -0.44 0.00 0.00 34.13 34.17 1hf2 s GLU 98 CO 0.39 -0.54 2.16 0.43 0.95 0.00 0.00 175.26 178.64 1hf2 n SER 99 N 5.37 7.33 0.00 0.83 7.64 -1.26 -3.47 113.62 130.05 1hf2 n SER 99 Ca 0.01 -3.67 0.00 0.00 1.01 0.00 0.00 58.87 56.22 1hf2 n SER 99 Cb 0.54 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1hf2 n SER 99 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1hf2 n THR 100 N -0.32 0.00 -2.75 0.44 -2.24 -1.26 -4.93 114.28 103.21 1hf2 n THR 100 Ca 0.54 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 62.02 1hf2 n THR 100 Cb 0.40 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 1hf2 n THR 100 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1hf2 s GLY 101 N 0.00 1.79 0.00 3.38 0.00 -1.26 -4.95 107.32 106.28 1hf2 s GLY 101 Ca 0.00 -0.30 0.23 0.00 0.00 0.00 0.00 44.72 44.66 1hf2 s GLY 101 CO 0.00 -0.11 1.76 0.58 0.00 0.00 0.00 173.10 175.33 1hf2 n LYS 102 N -1.66 0.14 -3.93 2.90 2.85 -1.26 -4.45 118.16 112.75 1hf2 n LYS 102 Ca 0.02 0.08 -0.35 0.00 -1.05 0.00 0.00 58.31 57.02 1hf2 n LYS 102 Cb 0.54 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.28 1hf2 n LYS 102 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1hf2 s VAL 103 N -2.82 3.20 -0.19 0.58 1.01 -1.26 -0.46 120.40 120.46 1hf2 s VAL 103 Ca 0.16 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1hf2 s VAL 103 Cb 0.16 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1hf2 s VAL 103 CO 0.40 0.42 -0.03 -0.63 0.00 0.00 0.00 175.10 175.25 1hf2 s ILE 104 N 1.45 3.64 -0.58 2.22 1.01 0.74 -4.99 121.20 124.69 1hf2 s ILE 104 Ca 0.05 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1hf2 s ILE 104 Cb -0.14 -2.63 0.42 0.00 0.01 0.00 0.00 42.46 40.12 1hf2 s ILE 104 CO -0.04 0.45 1.66 0.29 0.00 0.00 0.00 174.94 177.29 1hf2 n LYS 105 N 4.26 3.07 -3.83 2.79 5.02 -1.26 -0.53 118.16 127.67 1hf2 n LYS 105 Ca -0.18 -3.79 -0.07 0.00 -2.02 0.00 0.00 58.31 52.25 1hf2 n LYS 105 Cb 0.52 -2.28 0.03 0.00 -0.02 0.00 0.00 35.03 33.28 1hf2 n LYS 105 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1hf2 s ARG 106 N -3.78 2.04 0.36 1.97 1.70 -1.23 -4.97 118.95 115.03 1hf2 s ARG 106 Ca 0.55 -1.32 -0.12 0.00 -0.47 0.00 0.00 55.73 54.37 1hf2 s ARG 106 Cb 0.45 0.56 -0.07 0.00 -0.57 0.00 0.00 34.95 35.32 1hf2 s ARG 106 CO -0.14 -0.96 0.74 -0.80 -1.08 0.00 0.00 175.30 173.07 1hf2 s ASN 107 N -3.18 6.62 -0.35 -2.89 0.01 -1.26 -4.32 114.94 109.58 1hf2 s ASN 107 Ca 0.18 1.17 -0.14 0.00 -0.71 0.00 0.00 52.86 53.36 1hf2 s ASN 107 Cb -0.04 -2.33 -0.01 0.00 0.41 0.00 0.00 41.25 39.27 1hf2 s ASN 107 CO 0.10 -0.31 0.27 -0.63 -1.51 0.00 0.00 177.10 175.03 1hf2 s ILE 108 N -2.20 5.26 0.61 0.60 -1.09 0.14 -4.95 121.20 119.58 1hf2 s ILE 108 Ca 0.52 -0.19 -0.06 0.00 -2.23 0.00 0.00 60.65 58.69 1hf2 s ILE 108 Cb -0.10 -3.76 0.02 0.00 -1.58 0.00 0.00 42.46 37.04 1hf2 s ILE 108 CO 0.26 -0.05 0.92 -0.13 -1.23 0.00 0.00 174.94 174.70 1hf2 s ARG 109 N 1.79 2.79 0.32 2.79 0.52 -1.26 -1.41 118.95 124.48 1hf2 s ARG 109 Ca 0.07 -0.05 -0.29 0.00 -0.52 0.00 0.00 55.73 54.95 1hf2 s ARG 109 Cb -0.17 -2.25 -0.13 0.00 0.52 0.00 0.00 34.95 32.92 1hf2 s ARG 109 CO 0.11 -0.80 1.28 0.45 0.02 0.00 0.00 175.30 176.36 1hf2 n SER 110 N -2.64 2.58 0.00 0.23 2.88 -1.26 -1.00 113.62 114.40 1hf2 n SER 110 Ca 0.05 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1hf2 n SER 110 Cb 0.58 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1hf2 n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hf2 n GLY 111 N 1.09 1.06 3.86 0.46 0.00 0.00 -4.90 105.19 106.76 1hf2 n GLY 111 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1hf2 n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hf2 s GLN 112 N -0.05 3.33 -0.04 1.61 -0.21 -0.17 0.54 119.66 124.66 1hf2 s GLN 112 Ca 0.00 -0.32 -0.00 0.00 0.02 0.00 0.00 55.36 55.05 1hf2 s GLN 112 Cb 0.00 -3.05 0.03 0.00 1.00 0.00 0.00 33.01 30.99 1hf2 s GLN 112 CO 0.00 0.69 0.00 0.99 -2.12 0.00 0.00 175.29 174.85 1hf2 s THR 113 N -1.21 0.25 -0.15 -0.19 2.01 0.34 -1.28 115.64 115.41 1hf2 s THR 113 Ca 0.23 0.10 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 1hf2 s THR 113 Cb -0.12 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1hf2 s THR 113 CO 0.14 0.19 0.43 -0.69 -0.69 0.00 0.00 174.62 173.99 1hf2 s VAL 114 N 1.38 5.21 -0.15 3.82 1.01 -0.45 -2.46 120.40 128.75 1hf2 s VAL 114 Ca -0.05 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.77 1hf2 s VAL 114 Cb -0.13 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.50 1hf2 s VAL 114 CO -0.02 0.32 -0.16 -0.69 0.00 0.00 0.00 175.10 174.54 1hf2 s VAL 115 N 0.75 1.73 -0.02 2.92 1.01 -1.23 -0.26 120.40 125.30 1hf2 s VAL 115 Ca 0.23 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1hf2 s VAL 115 Cb -0.15 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1hf2 s VAL 115 CO 0.08 0.49 0.10 -1.00 0.00 0.00 0.00 175.10 174.77 1hf2 s HIS 116 N 1.32 -0.02 0.22 5.22 3.76 -0.31 -4.16 115.29 121.32 1hf2 s HIS 116 Ca 0.03 0.06 0.08 0.00 -0.15 0.00 0.00 55.06 55.08 1hf2 s HIS 116 Cb -0.13 -0.02 0.15 0.00 1.11 0.00 0.00 32.58 33.69 1hf2 s HIS 116 CO -0.09 -0.14 1.49 0.77 -0.85 0.00 0.00 174.74 175.92 1hf2 h SER 117 N 5.33 0.04 0.00 1.40 0.02 -1.87 0.41 113.55 118.89 1hf2 h SER 117 Ca -0.27 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1hf2 h SER 117 Cb 1.20 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1hf2 h SER 117 CO 0.43 0.78 0.00 0.61 -1.14 0.00 0.00 176.83 177.51 1hf2 n GLY 118 N 0.63 3.33 3.85 -3.77 0.00 -1.26 -3.24 105.19 104.72 1hf2 n GLY 118 Ca -0.01 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 1hf2 n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hf2 s ASP 119 N -0.13 6.17 -0.07 1.61 1.01 -1.26 -0.03 116.67 123.97 1hf2 s ASP 119 Ca 0.00 1.54 0.02 0.00 0.71 0.00 0.00 52.55 54.82 1hf2 s ASP 119 Cb 0.00 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.45 1hf2 s ASP 119 CO 0.00 -0.90 -0.13 -0.69 0.21 0.00 0.00 175.17 173.66 1hf2 s VAL 120 N -2.92 1.19 -0.15 -1.27 1.01 -0.08 -4.81 120.40 113.38 1hf2 s VAL 120 Ca 0.58 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1hf2 s VAL 120 Cb -0.12 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.18 1hf2 s VAL 120 CO 0.46 0.37 -0.19 -0.63 0.00 0.00 0.00 175.10 175.10 1hf2 s ILE 121 N 0.67 2.29 -0.28 2.22 1.01 0.40 -1.00 121.20 126.52 1hf2 s ILE 121 Ca -0.14 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 1hf2 s ILE 121 Cb -0.16 -1.94 0.05 0.00 0.01 0.00 0.00 42.46 40.42 1hf2 s ILE 121 CO 0.04 0.54 -0.05 -0.69 0.00 0.00 0.00 174.94 174.78 1hf2 s VAL 122 N 0.85 2.75 -1.15 2.92 1.01 0.71 -0.18 120.40 127.31 1hf2 s VAL 122 Ca -0.05 -1.34 -0.10 0.00 0.00 0.00 0.00 61.98 60.48 1hf2 s VAL 122 Cb -0.15 -2.53 0.24 0.00 0.00 0.00 0.00 36.38 33.94 1hf2 s VAL 122 CO -0.02 0.00 1.28 0.49 0.00 0.00 0.00 175.10 176.85 1hf2 n PHE 123 N 4.59 4.84 -3.54 5.22 3.72 0.30 0.18 117.46 132.77 1hf2 n PHE 123 Ca -0.14 -3.59 0.00 0.00 -0.05 0.00 0.00 57.45 53.67 1hf2 n PHE 123 Cb 0.44 -1.83 0.00 0.00 -0.94 0.00 0.00 39.48 37.15 1hf2 n PHE 123 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hf2 n GLY 124 N 2.99 -0.51 3.63 1.37 0.00 -1.19 -3.51 105.19 107.96 1hf2 n GLY 124 Ca 0.29 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 1hf2 n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hf2 s ASN 125 N -4.00 4.57 -0.31 1.61 0.01 -1.26 -3.33 114.94 112.23 1hf2 s ASN 125 Ca 0.00 -0.51 -0.04 0.00 -0.71 0.00 0.00 52.86 51.61 1hf2 s ASN 125 Cb 0.00 -0.89 0.04 0.00 0.41 0.00 0.00 41.25 40.81 1hf2 s ASN 125 CO 0.00 0.07 0.04 -0.69 -1.51 0.00 0.00 177.10 175.01 1hf2 s VAL 126 N -1.86 3.30 0.80 1.60 1.01 0.12 -0.68 120.40 124.69 1hf2 s VAL 126 Ca 0.28 -1.26 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 1hf2 s VAL 126 Cb -0.08 -2.87 0.07 0.00 0.00 0.00 0.00 36.38 33.50 1hf2 s VAL 126 CO 0.18 -0.11 1.09 0.20 0.00 0.00 0.00 175.10 176.45 1hf2 s ASN 127 N 1.32 4.31 0.45 3.32 0.02 -0.50 0.43 114.94 124.29 1hf2 s ASN 127 Ca -0.04 1.72 0.28 0.00 -1.02 0.00 0.00 52.86 53.80 1hf2 s ASN 127 Cb -0.19 -2.43 1.34 0.00 0.02 0.00 0.00 41.25 39.98 1hf2 s ASN 127 CO 0.00 -2.14 1.72 0.11 0.02 0.00 0.00 177.10 176.82 1hf2 h LYS 128 N -1.20 0.19 -0.36 -0.60 1.57 -1.89 -0.88 116.57 113.40 1hf2 h LYS 128 Ca -0.45 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.21 1hf2 h LYS 128 Cb 1.24 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.44 1hf2 h LYS 128 CO 0.53 0.12 0.02 0.41 -0.57 0.00 0.00 179.45 179.96 1hf2 n GLY 129 N -1.58 4.41 3.87 3.86 0.00 -1.26 -3.86 105.19 110.63 1hf2 n GLY 129 Ca 0.30 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 1hf2 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hf2 s ALA 130 N -3.04 3.78 0.01 4.61 0.00 -0.40 -0.82 121.76 125.91 1hf2 s ALA 130 Ca 0.45 -1.48 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 1hf2 s ALA 130 Cb 0.38 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1hf2 s ALA 130 CO 0.05 0.14 0.06 -2.00 0.00 0.00 0.00 175.76 174.01 1hf2 s GLU 131 N -3.94 0.40 -0.11 0.00 2.12 -0.40 -2.13 118.70 114.62 1hf2 s GLU 131 Ca 0.37 -0.49 0.02 0.00 0.36 0.00 0.00 54.97 55.22 1hf2 s GLU 131 Cb -0.07 0.16 0.02 0.00 0.26 0.00 0.00 34.13 34.49 1hf2 s GLU 131 CO 0.27 -0.08 -0.15 0.42 -0.54 0.00 0.00 175.26 175.17 1hf2 s ILE 132 N -1.40 1.52 -0.28 -3.70 1.01 -0.41 -1.34 121.20 116.58 1hf2 s ILE 132 Ca -0.15 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1hf2 s ILE 132 Cb -0.09 -1.39 0.06 0.00 0.01 0.00 0.00 42.46 41.06 1hf2 s ILE 132 CO 0.00 0.44 -0.05 -0.76 0.00 0.00 0.00 174.94 174.58 1hf2 s LEU 133 N 1.04 3.78 -0.03 2.97 1.43 0.64 -0.65 118.68 127.84 1hf2 s LEU 133 Ca -0.05 -1.47 0.06 0.00 -1.03 0.00 0.00 54.13 51.64 1hf2 s LEU 133 Cb -0.15 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1hf2 s LEU 133 CO -0.03 -0.24 -0.23 0.00 0.23 0.00 0.00 176.35 176.09 1hf2 s ALA 134 N 1.12 1.93 0.26 4.21 0.00 0.30 -1.16 121.76 128.43 1hf2 s ALA 134 Ca -0.05 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 50.99 1hf2 s ALA 134 Cb -0.20 -0.55 0.32 0.00 0.00 0.00 0.00 23.12 22.69 1hf2 s ALA 134 CO -0.04 0.42 1.62 0.78 0.00 0.00 0.00 175.76 178.53 1hf2 h GLY 135 N 5.84 0.30 0.00 0.00 0.00 0.04 -1.77 103.07 107.48 1hf2 h GLY 135 Ca -0.37 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1hf2 h GLY 135 CO 0.47 0.29 0.00 0.61 0.00 0.00 0.00 176.54 177.92 1hf2 n GLY 136 N 0.07 3.27 3.92 4.60 0.00 0.96 -1.38 105.19 116.63 1hf2 n GLY 136 Ca -0.02 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.02 1hf2 n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hf2 s SER 137 N -0.17 5.46 -0.03 1.61 0.01 -1.26 -0.56 113.70 118.76 1hf2 s SER 137 Ca 0.00 0.69 0.02 0.00 1.31 0.00 0.00 55.95 57.97 1hf2 s SER 137 Cb 0.00 -1.62 0.01 0.00 0.21 0.00 0.00 66.02 64.62 1hf2 s SER 137 CO 0.00 -1.16 -0.08 -0.69 0.41 0.00 0.00 173.24 171.72 1hf2 s VAL 138 N -3.04 0.75 -0.09 3.43 1.01 -0.04 -0.90 120.40 121.51 1hf2 s VAL 138 Ca 0.55 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1hf2 s VAL 138 Cb -0.11 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1hf2 s VAL 138 CO 0.45 0.25 -0.12 -0.69 0.00 0.00 0.00 175.10 174.99 1hf2 s VAL 139 N 0.37 1.24 -0.30 2.92 1.01 -0.17 -0.91 120.40 124.56 1hf2 s VAL 139 Ca -0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1hf2 s VAL 139 Cb -0.10 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.16 1hf2 s VAL 139 CO 0.01 0.39 0.02 -0.69 0.00 0.00 0.00 175.10 174.82 1hf2 s VAL 140 N 1.02 3.21 -1.29 2.92 1.01 0.44 -0.21 120.40 127.51 1hf2 s VAL 140 Ca -0.07 -1.21 -0.09 0.00 0.00 0.00 0.00 61.98 60.60 1hf2 s VAL 140 Cb -0.15 -2.79 0.16 0.00 0.00 0.00 0.00 36.38 33.60 1hf2 s VAL 140 CO -0.01 -0.05 1.93 0.33 0.00 0.00 0.00 175.10 177.30 1hf2 n PHE 141 N 4.69 2.90 -0.51 5.22 7.35 0.48 -2.36 117.46 135.23 1hf2 n PHE 141 Ca -0.14 -2.79 0.00 0.00 -0.76 0.00 0.00 57.45 53.76 1hf2 n PHE 141 Cb 0.45 -1.95 0.00 0.00 0.35 0.00 0.00 39.48 38.33 1hf2 n PHE 141 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1hf2 n GLY 142 N 2.73 -0.56 3.70 7.13 0.00 -1.21 -3.16 105.19 113.82 1hf2 n GLY 142 Ca 0.42 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1hf2 n GLY 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hf2 s LYS 143 N -1.52 4.33 -0.32 1.61 2.20 -1.26 -2.33 119.74 122.46 1hf2 s LYS 143 Ca 0.00 0.61 -0.06 0.00 -0.36 0.00 0.00 55.97 56.16 1hf2 s LYS 143 Cb 0.00 -3.48 0.03 0.00 -1.51 0.00 0.00 37.83 32.87 1hf2 s LYS 143 CO 0.00 0.02 0.09 0.00 -0.36 0.00 0.00 175.35 175.10 1hf2 s ALA 144 N 1.02 3.02 0.00 3.13 0.00 0.03 0.15 121.76 129.11 1hf2 s ALA 144 Ca 0.30 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1hf2 s ALA 144 Cb -0.16 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1hf2 s ALA 144 CO 0.13 -1.22 0.00 1.04 0.00 0.00 0.00 175.76 175.70 1hf2 n GLN 145 N 4.81 0.00 0.00 0.00 6.02 0.17 -0.92 117.38 127.45 1hf2 n GLN 145 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 1hf2 n GLN 145 Cb 0.45 -0.16 0.00 0.00 1.02 0.00 0.00 30.24 31.56 1hf2 n GLN 145 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hf2 n GLY 146 N 2.42 0.00 3.84 1.08 0.00 -0.82 -0.81 105.19 110.90 1hf2 n GLY 146 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1hf2 n GLY 146 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hf2 s ASN 147 N -2.87 6.14 -0.17 1.61 0.01 -0.91 -1.92 114.94 116.83 1hf2 s ASN 147 Ca 0.00 0.40 -0.01 0.00 -0.71 0.00 0.00 52.86 52.54 1hf2 s ASN 147 Cb 0.00 -1.94 0.04 0.00 0.41 0.00 0.00 41.25 39.76 1hf2 s ASN 147 CO 0.00 0.40 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.32 1hf2 s ILE 148 N -1.00 1.07 -0.25 0.60 1.01 -0.69 -1.29 121.20 120.65 1hf2 s ILE 148 Ca 0.15 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 1hf2 s ILE 148 Cb -0.12 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.10 1hf2 s ILE 148 CO 0.04 0.09 -0.05 -0.13 0.00 0.00 0.00 174.94 174.89 1hf2 s ARG 149 N 1.65 2.94 0.40 2.79 0.52 0.18 -0.02 118.95 127.40 1hf2 s ARG 149 Ca 0.00 -0.91 0.05 0.00 -0.52 0.00 0.00 55.73 54.36 1hf2 s ARG 149 Cb -0.15 -3.00 -0.07 0.00 0.52 0.00 0.00 34.95 32.25 1hf2 s ARG 149 CO -0.08 -0.37 0.03 0.00 0.02 0.00 0.00 175.30 174.90 1hf2 s ALA 150 N 1.36 3.05 -1.66 2.13 0.00 0.39 -0.54 121.76 126.49 1hf2 s ALA 150 Ca 0.01 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 49.97 1hf2 s ALA 150 Cb -0.16 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1hf2 s ALA 150 CO -0.04 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1hf2 n GLY 151 N -0.92 0.43 0.15 0.00 0.00 0.28 -0.69 105.19 104.42 1hf2 n GLY 151 Ca -0.06 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.93 1hf2 n GLY 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hf2 n LEU 152 N -2.36 0.68 0.00 0.99 4.77 -0.73 -1.91 117.00 118.44 1hf2 n LEU 152 Ca -0.20 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1hf2 n LEU 152 Cb 0.63 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1hf2 n LEU 152 CO 0.26 -0.67 -0.49 0.59 -1.33 0.00 0.00 177.39 175.74 1hf2 n ASN 153 N -2.28 3.10 -0.09 -1.43 3.02 -0.85 -4.82 115.26 111.91 1hf2 n ASN 153 Ca 0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.46 1hf2 n ASN 153 Cb 0.19 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.39 1hf2 n ASN 153 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1hf2 h GLU 154 N 0.00 0.82 0.00 3.52 4.81 -1.28 -3.50 114.58 118.95 1hf2 h GLU 154 Ca 0.00 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1hf2 h GLU 154 Cb 0.99 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1hf2 h GLU 154 CO 0.00 1.04 0.00 0.41 -0.73 0.00 0.00 179.01 179.73 1hf2 n GLY 155 N 0.02 -0.76 0.00 1.92 0.00 -0.81 -4.68 105.19 100.89 1hf2 n GLY 155 Ca -0.01 -2.16 0.03 0.00 0.00 0.00 0.00 46.02 43.87 1hf2 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hf2 n GLY 156 N 0.00 -0.47 0.01 -0.02 0.00 -1.26 -2.52 105.19 100.93 1hf2 n GLY 156 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1hf2 n GLY 156 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hf2 n GLN 157 N -1.28 0.03 -1.48 1.61 6.02 -1.26 -4.25 117.38 116.77 1hf2 n GLN 157 Ca 0.03 -0.01 -0.33 0.00 -0.01 0.00 0.00 57.00 56.67 1hf2 n GLN 157 Cb 0.04 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 29.88 1hf2 n GLN 157 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hf2 s ALA 158 N -2.98 2.22 0.17 -1.58 0.00 -1.05 -4.97 121.76 113.57 1hf2 s ALA 158 Ca 0.12 0.64 0.06 0.00 0.00 0.00 0.00 51.96 52.77 1hf2 s ALA 158 Cb 0.18 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1hf2 s ALA 158 CO 0.67 -1.69 -0.11 0.08 0.00 0.00 0.00 175.76 174.71 1hf2 s VAL 159 N -2.31 1.37 -0.05 0.00 1.01 -1.26 -4.56 120.40 114.60 1hf2 s VAL 159 Ca 0.69 -2.12 0.01 0.00 0.00 0.00 0.00 61.98 60.56 1hf2 s VAL 159 Cb -0.23 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1hf2 s VAL 159 CO 0.46 -0.67 -0.05 -0.69 0.00 0.00 0.00 175.10 174.14 1hf2 s VAL 160 N -3.20 0.64 0.03 2.92 1.01 -0.43 -0.86 120.40 120.51 1hf2 s VAL 160 Ca 0.19 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1hf2 s VAL 160 Cb 0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1hf2 s VAL 160 CO 0.03 0.26 0.08 0.00 0.00 0.00 0.00 175.10 175.47 1hf2 s ALA 161 N 1.02 -0.05 0.12 5.51 0.00 -0.09 0.14 121.76 128.41 1hf2 s ALA 161 Ca -0.09 -0.53 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 1hf2 s ALA 161 Cb -0.14 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.24 1hf2 s ALA 161 CO -0.00 -0.29 0.48 0.00 0.00 0.00 0.00 175.76 175.95 1hf2 s ALA 162 N -2.36 -1.18 0.21 0.00 0.00 -0.88 -0.42 121.76 117.13 1hf2 s ALA 162 Ca -0.07 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 1hf2 s ALA 162 Cb -0.03 0.70 0.19 0.00 0.00 0.00 0.00 23.12 23.98 1hf2 s ALA 162 CO -0.04 -0.66 1.56 -0.07 0.00 0.00 0.00 175.76 176.56 1hf2 h LEU 163 N 2.33 0.57 -6.94 0.00 3.38 -1.10 -0.73 115.31 112.82 1hf2 h LEU 163 Ca -0.33 -0.28 -0.56 0.00 0.09 0.00 0.00 57.88 56.80 1hf2 h LEU 163 Cb 1.26 -0.16 -0.40 0.00 0.09 0.00 0.00 40.66 41.45 1hf2 h LEU 163 CO 0.43 0.96 -0.77 -0.62 0.09 0.00 0.00 178.44 178.53 1hf2 s ASP 164 N -6.88 3.70 -1.25 -0.43 2.15 -0.98 -1.89 116.67 111.08 1hf2 s ASP 164 Ca -0.07 -1.61 -0.14 0.00 0.43 0.00 0.00 52.55 51.16 1hf2 s ASP 164 Cb 0.12 -0.62 0.15 0.00 -0.30 0.00 0.00 42.92 42.27 1hf2 s ASP 164 CO 0.83 -0.41 1.58 -0.11 -0.17 0.00 0.00 175.17 176.89 1hf2 n LEU 165 N 4.85 5.44 -3.40 -1.34 7.94 -1.26 -0.79 117.00 128.44 1hf2 n LEU 165 Ca -0.02 -4.39 -0.35 0.00 -1.11 0.00 0.00 56.01 50.15 1hf2 n LEU 165 Cb 0.41 -1.62 -0.01 0.00 0.53 0.00 0.00 43.42 42.73 1hf2 n LEU 165 CO 0.09 0.74 0.82 0.00 -1.11 0.00 0.00 177.39 177.94 1hf2 n GLN 166 N 5.86 4.32 -3.39 1.96 1.13 -0.10 -0.28 117.38 126.88 1hf2 n GLN 166 Ca 0.40 -4.73 -0.38 0.00 -1.94 0.00 0.00 57.00 50.35 1hf2 n GLN 166 Cb 0.42 -2.37 -0.06 0.00 0.11 0.00 0.00 30.24 28.34 1hf2 n GLN 166 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1hf2 s THR 167 N -4.10 5.10 0.36 5.09 -4.23 -1.01 -3.62 115.64 113.23 1hf2 s THR 167 Ca 0.42 0.91 0.05 0.00 -1.18 0.00 0.00 61.69 61.89 1hf2 s THR 167 Cb 0.21 -3.78 0.21 0.00 1.34 0.00 0.00 72.50 70.48 1hf2 s THR 167 CO -0.10 0.44 1.96 0.28 -0.54 0.00 0.00 174.62 176.66 1hf2 h SER 168 N 5.83 0.53 -4.81 3.99 0.02 -0.27 -3.44 113.55 115.40 1hf2 h SER 168 Ca -0.45 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.36 1hf2 h SER 168 Cb 1.19 -0.13 -0.20 0.00 0.14 0.00 0.00 62.40 63.40 1hf2 h SER 168 CO 0.70 0.48 -0.04 -0.22 -1.14 0.00 0.00 176.83 176.61 1hf2 s LEU 169 N -9.33 0.04 -0.06 5.07 0.20 -1.23 -4.63 118.68 108.73 1hf2 s LEU 169 Ca -0.08 0.53 -0.01 0.00 0.69 0.00 0.00 54.13 55.27 1hf2 s LEU 169 Cb 0.17 1.92 0.03 0.00 -0.43 0.00 0.00 46.19 47.87 1hf2 s LEU 169 CO 0.75 -0.47 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.70 1hf2 s ILE 170 N -0.99 0.41 -0.04 6.68 1.01 -0.48 -1.70 121.20 126.09 1hf2 s ILE 170 Ca -0.10 0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.66 1hf2 s ILE 170 Cb -0.03 -0.53 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 1hf2 s ILE 170 CO 0.06 0.24 -0.23 -1.58 0.00 0.00 0.00 174.94 173.43 1hf2 s GLN 171 N 1.61 2.37 -0.18 2.79 0.74 0.97 -1.79 119.66 126.17 1hf2 s GLN 171 Ca -0.00 -0.87 -0.03 0.00 0.05 0.00 0.00 55.36 54.50 1hf2 s GLN 171 Cb -0.13 -2.16 0.06 0.00 1.10 0.00 0.00 33.01 31.88 1hf2 s GLN 171 CO -0.04 0.50 0.05 0.42 -0.55 0.00 0.00 175.29 175.67 1hf2 s ILE 172 N -0.46 0.36 0.00 -2.34 1.01 -0.71 0.15 121.20 119.21 1hf2 s ILE 172 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1hf2 s ILE 172 Cb -0.11 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1hf2 s ILE 172 CO 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 174.94 174.75 1hf2 n ALA 173 N 5.11 0.00 1.00 9.38 0.00 0.13 -1.15 120.51 134.99 1hf2 n ALA 173 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.46 1hf2 n ALA 173 Cb 0.48 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.25 1hf2 n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hf2 n GLY 174 N 0.00 0.62 3.94 0.00 0.00 -1.26 -4.90 105.19 103.59 1hf2 n GLY 174 Ca 0.00 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 1hf2 n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hf2 s PHE 175 N -1.70 3.40 0.09 1.61 0.40 -0.30 -5.12 117.98 116.37 1hf2 s PHE 175 Ca 0.33 -0.02 -0.11 0.00 -0.60 0.00 0.00 56.93 56.53 1hf2 s PHE 175 Cb 0.18 -1.56 0.01 0.00 0.51 0.00 0.00 43.02 42.16 1hf2 s PHE 175 CO 0.26 0.46 0.25 0.42 0.70 0.00 0.00 175.22 177.31 1hf2 s ILE 176 N -1.97 0.12 0.03 0.64 1.01 -1.26 -1.73 121.20 118.04 1hf2 s ILE 176 Ca 0.34 -0.99 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 1hf2 s ILE 176 Cb -0.09 -1.26 0.08 0.00 0.01 0.00 0.00 42.46 41.20 1hf2 s ILE 176 CO 0.28 -0.55 0.71 0.28 0.00 0.00 0.00 174.94 175.66 1hf2 s THR 177 N -3.73 0.00 -0.50 2.92 -1.32 -0.74 -4.70 115.64 107.57 1hf2 s THR 177 Ca 0.04 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.56 1hf2 s THR 177 Cb 0.04 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.05 1hf2 s THR 177 CO -0.11 0.00 0.55 1.41 -2.21 0.00 0.00 174.62 174.27 1hf2 n HIS 178 N 0.17 0.00 -1.64 9.09 8.25 -1.26 -1.38 115.22 128.44 1hf2 n HIS 178 Ca -0.16 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.93 1hf2 n HIS 178 Cb 0.61 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.79 1hf2 n HIS 178 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1hf2 n SER 179 N -0.01 1.24 -4.80 0.41 7.64 -1.26 -4.76 113.62 112.07 1hf2 n SER 179 Ca 0.02 0.80 -0.31 0.00 1.01 0.00 0.00 58.87 60.39 1hf2 n SER 179 Cb 0.11 -1.46 -0.06 0.00 -1.01 0.00 0.00 64.21 61.79 1hf2 n SER 179 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1hf2 s LYS 180 N -3.07 2.22 0.20 1.43 1.02 -1.26 -4.79 119.74 115.49 1hf2 s LYS 180 Ca 0.79 -2.31 0.07 0.00 0.02 0.00 0.00 55.97 54.54 1hf2 s LYS 180 Cb -0.39 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 1hf2 s LYS 180 CO 0.44 -0.44 0.08 0.20 -0.92 0.00 0.00 175.35 174.71 1hf2 s GLY 181 N -3.99 1.65 0.37 -3.33 0.00 0.61 -4.97 107.32 97.66 1hf2 s GLY 181 Ca 0.12 -1.38 -0.26 0.00 0.00 0.00 0.00 44.72 43.20 1hf2 s GLY 181 CO 0.07 -1.41 1.12 1.18 0.00 0.00 0.00 173.10 174.06 1hf2 n GLU 182 N -0.51 1.63 -1.65 2.90 1.02 -1.26 -4.70 120.64 118.07 1hf2 n GLU 182 Ca -0.08 0.58 -0.48 0.00 -0.02 0.00 0.00 57.16 57.15 1hf2 n GLU 182 Cb 0.56 -2.11 -0.05 0.00 -0.02 0.00 0.00 31.44 29.82 1hf2 n GLU 182 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1hf2 n GLU 183 N 0.38 1.83 -0.70 3.49 2.13 -1.26 -2.03 120.64 124.49 1hf2 n GLU 183 Ca 0.08 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1hf2 n GLU 183 Cb 0.37 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.68 1hf2 n GLU 183 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1hf2 n ASN 184 N 3.35 -2.79 -4.59 4.31 3.02 -1.26 -4.94 115.26 112.35 1hf2 n ASN 184 Ca 0.18 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.33 1hf2 n ASN 184 Cb 0.26 -2.80 -0.08 0.00 -0.61 0.00 0.00 39.78 36.54 1hf2 n ASN 184 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1hf2 s VAL 185 N -0.93 5.06 -0.01 2.41 1.01 -0.86 -4.76 120.40 122.32 1hf2 s VAL 185 Ca 0.00 0.63 -0.34 0.00 0.00 0.00 0.00 61.98 62.27 1hf2 s VAL 185 Cb 0.00 -3.86 -0.12 0.00 0.00 0.00 0.00 36.38 32.40 1hf2 s VAL 185 CO 0.00 -0.02 1.81 -2.65 0.00 0.00 0.00 175.10 174.24 1hf2 n PRO 186 N 5.59 2.22 -4.31 2.72 -0.02 -0.79 -4.50 135.00 135.90 1hf2 n PRO 186 Ca -0.05 0.81 -0.16 0.00 -2.02 0.00 0.00 63.50 62.08 1hf2 n PRO 186 Cb 0.50 -2.64 -0.10 0.00 -0.02 0.00 0.00 33.50 31.23 1hf2 n PRO 186 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1hf2 s SER 187 N 3.25 1.93 -0.11 2.55 0.01 -0.28 -0.66 113.70 120.40 1hf2 s SER 187 Ca 0.89 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1hf2 s SER 187 Cb -0.67 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 65.56 1hf2 s SER 187 CO 0.47 -0.41 -0.10 -0.63 0.41 0.00 0.00 173.24 172.98 1hf2 s ILE 188 N -3.33 1.14 -0.20 1.44 1.01 -0.38 -2.08 121.20 118.81 1hf2 s ILE 188 Ca 0.24 -0.40 -0.13 0.00 0.00 0.00 0.00 60.65 60.37 1hf2 s ILE 188 Cb 0.04 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.35 1hf2 s ILE 188 CO 0.06 0.38 0.25 0.00 0.00 0.00 0.00 174.94 175.63 1hf2 s ALA 189 N 1.38 3.61 0.13 9.38 0.00 0.38 -2.36 121.76 134.28 1hf2 s ALA 189 Ca -0.01 -0.62 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 1hf2 s ALA 189 Cb -0.13 -2.38 0.03 0.00 0.00 0.00 0.00 23.12 20.63 1hf2 s ALA 189 CO -0.05 -0.05 0.38 -3.38 0.00 0.00 0.00 175.76 172.66 1hf2 s HIS 190 N 0.77 -0.13 -0.70 0.00 -0.00 -0.36 -1.31 115.29 113.55 1hf2 s HIS 190 Ca 0.13 -0.20 -0.24 0.00 -0.00 0.00 0.00 55.06 54.75 1hf2 s HIS 190 Cb -0.13 0.22 0.06 0.00 -0.00 0.00 0.00 32.58 32.73 1hf2 s HIS 190 CO 0.04 -0.70 1.08 0.08 -0.00 0.00 0.00 174.74 175.23 1hf2 s VAL 191 N -3.82 4.14 -0.03 -5.38 1.01 -1.26 -0.97 120.40 114.08 1hf2 s VAL 191 Ca 0.04 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.88 1hf2 s VAL 191 Cb 0.02 -4.77 -0.03 0.00 0.00 0.00 0.00 36.38 31.61 1hf2 s VAL 191 CO -0.11 -1.59 -0.15 -0.75 0.00 0.00 0.00 175.10 172.50 1hf2 s LYS 192 N 4.55 2.42 1.17 2.72 2.20 -0.84 -4.85 119.74 127.11 1hf2 s LYS 192 Ca 0.27 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1hf2 s LYS 192 Cb -0.13 -2.34 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 1hf2 s LYS 192 CO 0.10 0.61 0.00 0.41 -0.36 0.00 0.00 175.35 176.11 1hf2 n GLY 193 N 2.17 1.22 0.24 5.54 0.00 -1.26 -2.02 105.19 111.08 1hf2 n GLY 193 Ca -0.17 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1hf2 n GLY 193 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hf2 n ASN 194 N 3.77 0.00 -3.89 1.61 5.15 -1.26 -5.14 115.26 115.51 1hf2 n ASN 194 Ca 0.00 -0.51 -0.17 0.00 -0.60 0.00 0.00 54.58 53.30 1hf2 n ASN 194 Cb 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.16 1hf2 n ASN 194 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1hf2 s ARG 195 N 0.00 1.52 -0.41 1.20 1.70 -0.86 -5.06 118.95 117.04 1hf2 s ARG 195 Ca 0.00 -1.85 -0.17 0.00 -0.47 0.00 0.00 55.73 53.23 1hf2 s ARG 195 Cb 0.00 0.12 0.02 0.00 -0.57 0.00 0.00 34.95 34.52 1hf2 s ARG 195 CO 0.00 -0.48 0.44 0.42 -1.08 0.00 0.00 175.30 174.59 1hf2 s ILE 196 N -3.73 5.08 0.10 4.99 1.01 -1.26 -1.99 121.20 125.40 1hf2 s ILE 196 Ca 0.38 -0.25 -0.09 0.00 0.00 0.00 0.00 60.65 60.69 1hf2 s ILE 196 Cb 0.05 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1hf2 s ILE 196 CO 0.19 -0.38 0.40 -0.69 0.00 0.00 0.00 174.94 174.46 1hf2 s VAL 197 N 2.16 5.10 -0.19 2.92 1.01 -0.15 -4.87 120.40 126.38 1hf2 s VAL 197 Ca 0.13 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1hf2 s VAL 197 Cb -0.17 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1hf2 s VAL 197 CO 0.14 0.22 -0.08 -0.63 0.00 0.00 0.00 175.10 174.75 1hf2 s ILE 198 N -1.47 1.44 0.04 2.22 1.01 -1.26 -1.23 121.20 121.95 1hf2 s ILE 198 Ca 0.35 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1hf2 s ILE 198 Cb -0.13 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 1hf2 s ILE 198 CO 0.19 0.11 -0.07 -1.83 0.00 0.00 0.00 174.94 173.35 1hf2 s GLU 199 N 1.48 0.49 0.76 2.79 -1.05 -1.00 -4.95 118.70 117.22 1hf2 s GLU 199 Ca -0.01 -0.69 -0.15 0.00 -0.15 0.00 0.00 54.97 53.97 1hf2 s GLU 199 Cb -0.16 -0.26 0.02 0.00 -0.44 0.00 0.00 34.13 33.29 1hf2 s GLU 199 CO -0.08 0.04 0.93 -0.35 0.95 0.00 0.00 175.26 176.76 1hf2 n PRO 200 N 1.62 0.36 -0.21 -4.83 -0.04 -1.26 -1.25 135.00 129.38 1hf2 n PRO 200 Ca -0.22 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.53 1hf2 n PRO 200 Cb 0.55 -2.20 0.41 0.00 -0.04 0.00 0.00 33.50 32.22 1hf2 n PRO 200 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1hf2 h PHE 201 N -0.50 0.70 -0.66 0.54 -5.15 -1.21 -2.64 116.94 108.01 1hf2 h PHE 201 Ca -0.47 0.02 0.14 0.00 -0.20 0.00 0.00 57.97 57.46 1hf2 h PHE 201 Cb 1.32 -0.22 -0.10 0.00 0.22 0.00 0.00 35.95 37.17 1hf2 h PHE 201 CO 0.41 0.29 0.12 -0.44 -2.00 0.00 0.00 178.31 176.70 1hf2 h ASP 202 N 0.62 -0.05 -1.19 -0.68 3.32 -1.89 -3.15 116.42 113.40 1hf2 h ASP 202 Ca 0.38 0.13 -0.56 0.00 0.02 0.00 0.00 57.03 57.01 1hf2 h ASP 202 Cb 0.62 0.19 -0.42 0.00 0.22 0.00 0.00 39.33 39.94 1hf2 h ASP 202 CO -0.15 -0.03 -0.79 0.29 -1.72 0.00 0.00 179.24 176.84 1hf2 n LYS 203 N -5.17 3.34 -2.37 3.56 5.02 -1.00 -5.07 118.16 116.48 1hf2 n LYS 203 Ca 0.11 -4.30 -0.34 0.00 -2.02 0.00 0.00 58.31 51.75 1hf2 n LYS 203 Cb 0.39 -2.20 -0.01 0.00 -0.02 0.00 0.00 35.03 33.19 1hf2 n LYS 203 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hf2 s VAL 204 N -5.05 3.52 -0.38 -0.18 1.01 -1.19 -4.84 120.40 113.30 1hf2 s VAL 204 Ca 0.47 0.92 0.03 0.00 0.00 0.00 0.00 61.98 63.41 1hf2 s VAL 204 Cb 0.40 -3.37 0.16 0.00 0.00 0.00 0.00 36.38 33.57 1hf2 s VAL 204 CO -0.09 -0.23 0.38 -0.55 0.00 0.00 0.00 175.10 174.61 1hf2 s SER 205 N -1.98 1.13 0.00 3.32 0.15 -1.26 -5.13 113.70 109.93 1hf2 s SER 205 Ca 0.69 -1.63 0.22 0.00 0.70 0.00 0.00 55.95 55.93 1hf2 s SER 205 Cb -0.19 0.56 1.31 0.00 -1.71 0.00 0.00 66.02 65.98 1hf2 s SER 205 CO 0.25 -0.25 1.68 0.49 1.20 0.00 0.00 173.24 176.61