#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfi s LEU 2 N 0.00 0.58 0.03 4.03 1.43 -1.15 -5.01 118.68 118.59 2hfi s LEU 2 Ca 0.00 -2.34 0.07 0.00 -1.03 0.00 0.00 54.13 50.83 2hfi s LEU 2 Cb 0.00 0.12 -0.02 0.00 0.03 0.00 0.00 46.19 46.32 2hfi s LEU 2 CO 0.00 -0.21 -0.20 -0.55 0.23 0.00 0.00 176.35 175.63 2hfi s SER 3 N 0.73 2.34 -0.17 2.29 0.15 -1.26 -5.02 113.70 112.76 2hfi s SER 3 Ca 0.25 -0.49 0.05 0.00 0.70 0.00 0.00 55.95 56.47 2hfi s SER 3 Cb -0.07 -0.20 0.38 0.00 -1.71 0.00 0.00 66.02 64.42 2hfi s SER 3 CO -0.09 0.16 1.28 0.00 1.20 0.00 0.00 173.24 175.79 2hfi n GLN 4 N 1.98 2.39 0.32 5.44 6.02 -1.26 -2.71 117.38 129.55 2hfi n GLN 4 Ca -0.17 -1.56 -0.14 0.00 -0.01 0.00 0.00 57.00 55.12 2hfi n GLN 4 Cb 0.53 -1.76 -0.07 0.00 1.02 0.00 0.00 30.24 29.96 2hfi n GLN 4 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2hfi h THR 5 N 1.36 0.15 0.00 5.09 1.35 -1.95 -3.45 112.91 115.46 2hfi h THR 5 Ca 0.14 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 2hfi h THR 5 Cb 1.56 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2hfi h THR 5 CO 0.39 0.02 0.00 -0.11 -0.25 0.00 0.00 175.52 175.57 2hfi n LEU 6 N -5.35 0.00 -0.03 3.87 7.94 -1.26 -4.99 117.00 117.17 2hfi n LEU 6 Ca -0.11 -0.17 -0.10 0.00 -1.11 0.00 0.00 56.01 54.52 2hfi n LEU 6 Cb 0.35 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.21 2hfi n LEU 6 CO 0.29 0.30 0.33 0.25 -1.11 0.00 0.00 177.39 177.46 2hfi h LEU 7 N 0.00 -0.04 -0.78 -1.96 5.85 -1.85 -2.95 115.31 113.57 2hfi h LEU 7 Ca 0.00 -0.61 -0.07 0.00 0.84 0.00 0.00 57.88 58.04 2hfi h LEU 7 Cb 0.57 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2hfi h LEU 7 CO 0.00 0.72 0.14 1.05 -0.34 0.00 0.00 178.44 180.01 2hfi h GLU 8 N -0.93 1.06 -0.97 1.25 -0.00 -1.88 0.17 114.58 113.29 2hfi h GLU 8 Ca -0.01 -0.26 0.02 0.00 -0.00 0.00 0.00 59.36 59.12 2hfi h GLU 8 Cb 0.65 -0.14 -0.05 0.00 -0.00 0.00 0.00 28.75 29.21 2hfi h GLU 8 CO 0.01 0.95 0.64 0.52 -0.00 0.00 0.00 179.01 181.13 2hfi h MET 9 N 1.01 1.25 -0.22 1.06 2.86 -1.87 0.14 114.93 119.15 2hfi h MET 9 Ca 0.21 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 2hfi h MET 9 Cb 0.38 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2hfi h MET 9 CO 0.00 0.82 -0.10 1.15 1.06 0.00 0.00 176.91 179.85 2hfi h THR 10 N 1.28 1.30 -0.45 2.22 2.02 -1.16 -2.06 112.91 116.07 2hfi h THR 10 Ca 0.36 -1.15 0.07 0.00 0.77 0.00 0.00 66.41 66.45 2hfi h THR 10 Cb -0.11 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 2hfi h THR 10 CO -0.09 0.35 0.12 -0.33 0.37 0.00 0.00 175.52 175.94 2hfi h GLU 11 N 0.16 0.26 -0.60 6.66 4.39 -0.11 0.19 114.58 125.53 2hfi h GLU 11 Ca 0.05 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 2hfi h GLU 11 Cb 0.59 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2hfi h GLU 11 CO 0.03 0.17 0.15 0.37 -1.16 0.00 0.00 179.01 178.57 2hfi h GLN 12 N 0.27 0.97 -0.74 2.33 4.15 -0.75 -1.60 115.11 119.73 2hfi h GLN 12 Ca 0.22 -0.23 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 2hfi h GLN 12 Cb 0.25 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 2hfi h GLN 12 CO -0.26 0.88 0.31 1.98 -1.93 0.00 0.00 178.83 179.81 2hfi h MET 13 N 0.88 1.11 -0.34 1.69 4.05 -0.61 -0.54 114.93 121.16 2hfi h MET 13 Ca 0.19 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2hfi h MET 13 Cb 0.35 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 2hfi h MET 13 CO 0.00 0.90 0.20 0.82 0.23 0.00 0.00 176.91 179.07 2hfi h ILE 14 N 1.07 1.12 -0.31 1.77 2.04 -0.39 -1.22 117.51 121.59 2hfi h ILE 14 Ca 0.25 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2hfi h ILE 14 Cb 0.20 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2hfi h ILE 14 CO -0.02 0.12 0.12 -0.08 0.00 0.00 0.00 178.15 178.29 2hfi h GLU 15 N 0.44 0.46 -0.67 2.37 4.57 -0.94 -0.31 114.58 120.51 2hfi h GLU 15 Ca 0.12 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2hfi h GLU 15 Cb 0.01 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 2hfi h GLU 15 CO -0.02 0.48 0.36 0.28 -1.18 0.00 0.00 179.01 178.93 2hfi h VAL 16 N 0.35 1.21 -0.08 0.32 2.07 -0.98 0.14 116.25 119.28 2hfi h VAL 16 Ca 0.10 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2hfi h VAL 16 Cb 0.19 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2hfi h VAL 16 CO -0.01 0.23 0.02 0.00 0.02 0.00 0.00 177.57 177.84 2hfi h ALA 17 N 1.18 0.11 -0.30 1.67 0.00 -1.01 0.40 119.26 121.31 2hfi h ALA 17 Ca 0.23 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2hfi h ALA 17 Cb 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2hfi h ALA 17 CO -0.04 -0.27 0.14 1.49 0.00 0.00 0.00 179.25 180.58 2hfi h GLU 18 N -0.07 0.29 0.00 0.00 4.22 -0.85 -1.80 114.58 116.37 2hfi h GLU 18 Ca 0.03 -0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.37 2hfi h GLU 18 Cb 0.24 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2hfi h GLU 18 CO 0.00 0.19 -0.37 0.87 -2.18 0.00 0.00 179.01 177.52 2hfi h LYS 19 N 0.30 0.00 -0.40 1.92 6.56 -0.64 -1.27 116.57 123.05 2hfi h LYS 19 Ca 0.12 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.69 2hfi h LYS 19 Cb 0.05 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.69 2hfi h LYS 19 CO -0.09 0.37 0.14 0.78 -2.06 0.00 0.00 179.45 178.59 2hfi h GLY 20 N 2.78 0.64 0.96 3.86 0.00 0.17 0.28 103.07 111.77 2hfi h GLY 20 Ca -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 2hfi h GLY 20 CO 0.05 0.34 0.16 0.00 0.00 0.00 0.00 176.54 177.09 2hfi h ALA 21 N 0.99 0.62 -0.68 3.60 0.00 -1.13 -0.87 119.26 121.79 2hfi h ALA 21 Ca 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2hfi h ALA 21 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2hfi h ALA 21 CO -0.01 0.27 0.36 0.22 0.00 0.00 0.00 179.25 180.09 2hfi h ASP 22 N 0.63 0.85 -0.40 0.00 3.58 -1.04 0.21 116.42 120.25 2hfi h ASP 22 Ca 0.15 -0.07 -0.14 0.00 0.42 0.00 0.00 57.03 57.39 2hfi h ASP 22 Cb 0.26 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2hfi h ASP 22 CO -0.01 0.69 -0.28 -0.09 -2.88 0.00 0.00 179.24 176.67 2hfi h ARG 23 N 0.95 0.93 -0.53 0.28 9.65 -0.17 -0.45 114.38 125.03 2hfi h ARG 23 Ca 0.24 -0.43 -0.06 0.00 -1.10 0.00 0.00 59.98 58.63 2hfi h ARG 23 Cb 0.05 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 2hfi h ARG 23 CO -0.04 1.09 0.08 -0.92 2.80 0.00 0.00 179.97 182.98 2hfi h TYR 24 N 0.78 0.89 -0.25 2.20 3.20 -0.51 -2.18 116.97 121.09 2hfi h TYR 24 Ca 0.09 -0.10 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2hfi h TYR 24 Cb 0.86 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2hfi h TYR 24 CO 0.05 0.77 -0.14 1.96 -1.64 0.00 0.00 178.16 179.16 2hfi h GLN 25 N 0.81 0.43 -0.61 1.82 4.20 -0.24 -2.77 115.11 118.74 2hfi h GLN 25 Ca 0.17 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 2hfi h GLN 25 Cb 0.36 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2hfi h GLN 25 CO 0.01 0.56 0.03 1.49 -0.67 0.00 0.00 178.83 180.25 2hfi h GLU 26 N 0.40 1.05 -3.98 1.46 4.81 -0.49 -3.48 114.58 114.34 2hfi h GLU 26 Ca 0.07 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2hfi h GLU 26 Cb 0.48 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2hfi h GLU 26 CO 0.03 1.01 -0.01 0.41 -0.73 0.00 0.00 179.01 179.72 2hfi n GLY 27 N -0.49 -0.70 3.13 1.92 0.00 -0.93 -4.89 105.19 103.23 2hfi n GLY 27 Ca 0.03 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2hfi n GLY 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hfi n LYS 28 N -1.27 3.13 -0.70 1.61 3.00 -1.26 -4.82 118.16 117.85 2hfi n LYS 28 Ca 0.00 -3.10 0.00 0.00 -0.00 0.00 0.00 58.31 55.22 2hfi n LYS 28 Cb 0.48 -3.29 0.00 0.00 0.00 0.00 0.00 35.03 32.22 2hfi n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2hfi n ASN 29 N 6.61 -3.91 -0.32 3.14 2.85 -1.26 -4.88 115.26 117.49 2hfi n ASN 29 Ca 0.48 0.75 0.06 0.00 -0.11 0.00 0.00 54.58 55.76 2hfi n ASN 29 Cb 0.42 -1.65 0.01 0.00 1.24 0.00 0.00 39.78 39.79 2hfi n ASN 29 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2hfi n SER 30 N -1.69 1.49 -4.61 1.20 2.88 -1.26 -4.94 113.62 106.69 2hfi n SER 30 Ca 0.00 -1.24 -0.43 0.00 -1.33 0.00 0.00 58.87 55.87 2hfi n SER 30 Cb 0.15 0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 63.98 2hfi n SER 30 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2hfi s ASN 31 N -1.47 6.48 -1.33 -3.46 3.84 -1.26 -4.93 114.94 112.81 2hfi s ASN 31 Ca 0.11 0.83 -0.15 0.00 0.21 0.00 0.00 52.86 53.85 2hfi s ASN 31 Cb 0.10 -2.54 0.09 0.00 -0.55 0.00 0.00 41.25 38.35 2hfi s ASN 31 CO 0.28 -1.31 1.84 1.57 -2.79 0.00 0.00 177.10 176.68 2hfi n HIS 32 N 8.34 4.25 0.41 0.43 -0.00 -1.26 -4.51 115.22 122.88 2hfi n HIS 32 Ca 0.15 -2.96 0.10 0.00 -0.00 0.00 0.00 57.72 55.02 2hfi n HIS 32 Cb 0.48 -2.48 0.15 0.00 -0.00 0.00 0.00 29.99 28.14 2hfi n HIS 32 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2hfi n SER 33 N 6.91 3.05 -4.21 0.26 3.41 -1.26 -4.73 113.62 117.05 2hfi n SER 33 Ca 0.47 -1.90 -0.41 0.00 -0.26 0.00 0.00 58.87 56.78 2hfi n SER 33 Cb 0.43 -0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 2hfi n SER 33 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2hfi s TYR 34 N -1.43 3.87 -1.22 7.33 2.02 -1.26 -5.01 117.35 121.66 2hfi s TYR 34 Ca 0.30 -2.68 -0.16 0.00 -0.37 0.00 0.00 57.07 54.17 2hfi s TYR 34 Cb 0.19 -3.50 0.13 0.00 -0.40 0.00 0.00 41.96 38.37 2hfi s TYR 34 CO 0.26 -0.86 1.52 -0.51 -1.57 0.00 0.00 175.55 174.39 2hfi s ASP 35 N 0.85 6.95 -1.77 2.29 1.01 -1.26 -4.62 116.67 120.12 2hfi s ASP 35 Ca 0.24 -2.71 0.00 0.00 0.71 0.00 0.00 52.55 50.79 2hfi s ASP 35 Cb -0.11 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.35 2hfi s ASP 35 CO -0.09 -0.93 0.00 0.33 0.21 0.00 0.00 175.17 174.69 2hfi n PHE 36 N 6.73 -0.56 0.00 4.23 7.35 -1.26 -4.45 117.46 129.49 2hfi n PHE 36 Ca 0.40 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 2hfi n PHE 36 Cb 0.44 -3.35 0.00 0.00 0.35 0.00 0.00 39.48 36.93 2hfi n PHE 36 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2hfi n PHE 37 N -2.89 0.00 0.39 -5.13 7.35 -1.23 -4.73 117.46 111.21 2hfi n PHE 37 Ca -0.20 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.34 2hfi n PHE 37 Cb 0.63 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.38 2hfi n PHE 37 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2hfi h GLU 38 N 0.00 -0.97 0.00 -4.13 4.39 -1.87 -3.37 114.58 108.63 2hfi h GLU 38 Ca 0.00 0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 2hfi h GLU 38 Cb 0.00 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2hfi h GLU 38 CO 0.00 -0.65 -1.98 -2.37 -1.16 0.00 0.00 179.01 172.85 2hfi n THR 39 N -5.35 0.34 -3.08 1.13 5.66 -1.26 -4.74 114.28 106.97 2hfi n THR 39 Ca -0.13 -0.53 -0.44 0.00 -3.05 0.00 0.00 64.05 59.90 2hfi n THR 39 Cb 0.40 -0.10 -0.00 0.00 -1.55 0.00 0.00 70.33 69.08 2hfi n THR 39 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2hfi s ILE 40 N -3.10 5.37 0.15 1.09 1.01 -1.26 -4.37 121.20 120.08 2hfi s ILE 40 Ca -0.08 -2.89 0.00 0.00 0.00 0.00 0.00 60.65 57.68 2hfi s ILE 40 Cb 0.10 -4.80 0.00 0.00 0.01 0.00 0.00 42.46 37.77 2hfi s ILE 40 CO 0.79 -1.47 0.00 1.17 0.00 0.00 0.00 174.94 175.43 2hfi n LYS 41 N 4.64 0.00 -0.08 2.79 4.81 -1.26 -3.57 118.16 125.48 2hfi n LYS 41 Ca 0.32 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.64 2hfi n LYS 41 Cb 0.42 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.42 2hfi n LYS 41 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2hfi h PRO 42 N 0.00 0.46 -0.84 1.64 0.13 -1.90 -2.70 132.00 128.79 2hfi h PRO 42 Ca 0.00 -0.17 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2hfi h PRO 42 Cb 0.00 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.06 2hfi h PRO 42 CO 0.00 0.68 0.52 0.00 -0.23 0.00 0.00 178.00 178.96 2hfi h ALA 43 N 0.77 1.33 -0.13 -0.56 0.00 -1.96 -1.51 119.26 117.19 2hfi h ALA 43 Ca 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hfi h ALA 43 Cb 0.50 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2hfi h ALA 43 CO 0.02 0.59 0.07 0.28 0.00 0.00 0.00 179.25 180.20 2hfi h VAL 44 N 1.15 1.12 -0.47 0.00 2.07 -1.86 -0.59 116.25 117.67 2hfi h VAL 44 Ca 0.30 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2hfi h VAL 44 Cb -0.07 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2hfi h VAL 44 CO -0.06 0.11 0.25 -0.33 0.02 0.00 0.00 177.57 177.56 2hfi h GLU 45 N 0.10 0.66 0.12 1.57 5.08 -1.13 0.22 114.58 121.19 2hfi h GLU 45 Ca 0.05 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2hfi h GLU 45 Cb 0.11 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2hfi h GLU 45 CO -0.01 0.53 -0.13 0.93 -1.00 0.00 0.00 179.01 179.33 2hfi h GLU 46 N 0.62 -0.28 -0.16 2.33 4.39 -1.17 -2.84 114.58 117.48 2hfi h GLU 46 Ca 0.17 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.80 2hfi h GLU 46 Cb 0.07 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2hfi h GLU 46 CO -0.03 -0.18 -0.27 -0.91 -1.16 0.00 0.00 179.01 176.46 2hfi h ASN 47 N -0.29 0.30 0.26 1.42 -0.26 -0.84 0.74 115.58 116.91 2hfi h ASN 47 Ca 0.01 -0.10 0.01 0.00 -0.56 0.00 0.00 56.30 55.66 2hfi h ASN 47 Cb 0.28 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.43 2hfi h ASN 47 CO -0.04 0.58 -0.34 -0.78 -1.06 0.00 0.00 177.43 175.78 2hfi h ASP 48 N 0.27 -0.96 0.54 5.81 3.58 -0.41 0.12 116.42 125.36 2hfi h ASP 48 Ca 0.04 0.09 -0.15 0.00 0.42 0.00 0.00 57.03 57.44 2hfi h ASP 48 Cb 0.63 0.34 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 2hfi h ASP 48 CO 0.05 -0.46 -0.66 -0.33 -2.88 0.00 0.00 179.24 174.96 2hfi h GLU 49 N -0.66 0.11 -0.00 0.28 5.08 -1.38 -2.12 114.58 115.88 2hfi h GLU 49 Ca -0.00 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2hfi h GLU 49 Cb 0.63 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2hfi h GLU 49 CO -0.12 0.73 -0.11 1.25 -1.00 0.00 0.00 179.01 179.76 2hfi h LEU 50 N 0.08 -0.31 -0.71 1.33 5.85 -0.51 0.28 115.31 121.32 2hfi h LEU 50 Ca -0.01 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 2hfi h LEU 50 Cb 1.17 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 2hfi h LEU 50 CO 0.09 -0.15 -0.32 0.00 -0.34 0.00 0.00 178.44 177.72 2hfi h ALA 51 N 0.80 0.89 -0.02 1.25 0.00 -0.77 -1.28 119.26 120.13 2hfi h ALA 51 Ca 0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2hfi h ALA 51 Cb 0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2hfi h ALA 51 CO -0.11 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2hfi h ALA 52 N 1.11 0.03 -0.55 0.00 0.00 -1.05 0.10 119.26 118.90 2hfi h ALA 52 Ca 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2hfi h ALA 52 Cb 0.81 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2hfi h ALA 52 CO 0.07 -0.34 0.34 -0.09 0.00 0.00 0.00 179.25 179.22 2hfi h ARG 53 N -0.20 0.65 -0.03 0.00 1.12 -0.41 0.58 114.38 116.09 2hfi h ARG 53 Ca 0.01 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 2hfi h ARG 53 Cb 0.25 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 30.06 2hfi h ARG 53 CO 0.00 0.43 0.02 2.35 -3.11 0.00 0.00 179.97 179.66 2hfi h TRP 54 N 0.67 0.04 -0.84 2.20 7.01 -1.13 -0.71 115.95 123.20 2hfi h TRP 54 Ca 0.22 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.23 2hfi h TRP 54 Cb 0.01 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 2hfi h TRP 54 CO -0.06 0.04 0.56 0.00 -2.79 0.00 0.00 178.44 176.19 2hfi h ALA 55 N 1.00 1.07 -0.34 2.65 0.00 -0.42 0.29 119.26 123.50 2hfi h ALA 55 Ca 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2hfi h ALA 55 Cb 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2hfi h ALA 55 CO -0.00 0.46 0.20 0.93 0.00 0.00 0.00 179.25 180.84 2hfi h GLU 56 N 1.13 0.39 -0.26 0.00 5.08 -0.62 0.18 114.58 120.49 2hfi h GLU 56 Ca 0.31 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.52 2hfi h GLU 56 Cb -0.12 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2hfi h GLU 56 CO -0.07 0.26 -0.39 0.78 -1.00 0.00 0.00 179.01 178.59 2hfi h GLY 57 N 0.40 0.64 1.07 -3.84 0.00 -0.57 -1.79 103.07 98.98 2hfi h GLY 57 Ca 0.14 -0.64 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 2hfi h GLY 57 CO -0.07 0.57 -0.10 0.00 0.00 0.00 0.00 176.54 176.95 2hfi h ALA 58 N 1.08 0.70 -0.47 3.60 0.00 -0.13 0.83 119.26 124.89 2hfi h ALA 58 Ca 0.04 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2hfi h ALA 58 Cb 0.89 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2hfi h ALA 58 CO 0.08 0.60 0.09 -0.07 0.00 0.00 0.00 179.25 179.95 2hfi h LEU 59 N 0.84 0.66 -0.36 0.00 3.38 -0.54 0.18 115.31 119.47 2hfi h LEU 59 Ca 0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2hfi h LEU 59 Cb 0.66 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2hfi h LEU 59 CO 0.05 0.68 0.12 -0.08 0.09 0.00 0.00 178.44 179.29 2hfi h GLU 60 N 0.69 0.55 -0.18 1.13 4.57 -1.00 -2.98 114.58 117.36 2hfi h GLU 60 Ca 0.15 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2hfi h GLU 60 Cb 0.30 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2hfi h GLU 60 CO 0.00 0.56 0.11 1.25 -1.18 0.00 0.00 179.01 179.75 2hfi h LEU 61 N 0.43 0.21 0.00 1.64 6.46 0.01 -2.25 115.31 121.81 2hfi h LEU 61 Ca 0.12 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2hfi h LEU 61 Cb 0.23 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 2hfi h LEU 61 CO -0.01 0.17 0.00 2.30 -0.62 0.00 0.00 178.44 180.28 2hfi n ILE 62 N -4.95 0.61 -0.04 4.05 -5.35 -0.03 0.29 119.36 113.93 2hfi n ILE 62 Ca -0.04 0.15 -0.17 0.00 -0.27 0.00 0.00 62.75 62.42 2hfi n ILE 62 Cb 0.04 -0.82 -0.13 0.00 -1.74 0.00 0.00 39.64 36.98 2hfi n ILE 62 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2hfi h LYS 63 N 0.00 0.09 0.11 6.28 3.11 -1.25 -3.40 116.57 121.51 2hfi h LYS 63 Ca 0.00 -0.16 -0.26 0.00 -2.81 0.00 0.00 60.65 57.43 2hfi h LYS 63 Cb 0.29 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.57 2hfi h LYS 63 CO 0.00 1.07 -1.29 0.28 -2.81 0.00 0.00 179.45 176.70 2hfi h VAL 64 N -0.79 1.11 -2.82 2.00 2.07 -1.19 -3.46 116.25 113.17 2hfi h VAL 64 Ca -0.12 -2.41 -0.67 0.00 0.82 0.00 0.00 66.70 64.33 2hfi h VAL 64 Cb 1.27 2.78 -0.08 0.00 -1.52 0.00 0.00 31.29 33.73 2hfi h VAL 64 CO 0.01 0.69 -0.51 -0.60 0.02 0.00 0.00 177.57 177.17 2hfi s ARG 65 N -2.46 3.33 -0.08 1.57 6.06 0.14 -5.06 118.95 122.46 2hfi s ARG 65 Ca -0.19 -0.24 -0.30 0.00 -2.50 0.00 0.00 55.73 52.51 2hfi s ARG 65 Cb 0.04 -3.08 -0.05 0.00 0.06 0.00 0.00 34.95 31.92 2hfi s ARG 65 CO 0.77 0.74 1.60 1.03 -2.50 0.00 0.00 175.30 176.94 2hfi s ARG 66 N -1.20 4.16 -0.46 5.12 0.52 -1.26 -4.18 118.95 121.64 2hfi s ARG 66 Ca 0.17 2.08 -0.28 0.00 -0.52 0.00 0.00 55.73 57.18 2hfi s ARG 66 Cb -0.12 -3.96 0.01 0.00 0.52 0.00 0.00 34.95 31.40 2hfi s ARG 66 CO 0.07 -0.86 1.49 -2.14 0.02 0.00 0.00 175.30 173.88 2hfi s PRO 67 N 4.01 3.39 -0.12 3.54 0.02 -1.26 -4.83 135.00 139.76 2hfi s PRO 67 Ca 0.71 0.82 0.04 0.00 0.02 0.00 0.00 61.00 62.58 2hfi s PRO 67 Cb -0.31 -4.10 -0.10 0.00 0.02 0.00 0.00 34.50 30.01 2hfi s PRO 67 CO 0.27 -1.80 -0.07 0.36 -0.33 0.00 0.00 177.00 175.44 2hfi n LYS 68 N 8.38 0.98 -0.11 5.54 2.85 -1.26 -4.72 118.16 129.81 2hfi n LYS 68 Ca 0.16 0.05 -0.15 0.00 -1.05 0.00 0.00 58.31 57.32 2hfi n LYS 68 Cb 0.48 -1.26 -0.11 0.00 -0.65 0.00 0.00 35.03 33.50 2hfi n LYS 68 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2hfi n TYR 69 N -2.71 0.00 -3.21 5.58 4.01 -1.26 -4.96 117.16 114.61 2hfi n TYR 69 Ca -0.21 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.28 2hfi n TYR 69 Cb 0.77 -0.90 -0.01 0.00 -0.31 0.00 0.00 39.34 38.89 2hfi n TYR 69 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2hfi s VAL 70 N -2.46 5.05 0.09 -0.72 0.11 -1.26 -4.92 120.40 116.28 2hfi s VAL 70 Ca -0.29 -0.22 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 2hfi s VAL 70 Cb 0.08 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 2hfi s VAL 70 CO 0.56 -0.58 -0.06 -1.00 -3.33 0.00 0.00 175.10 170.69 2hfi s HIS 71 N -2.36 0.83 0.12 1.54 3.76 -1.26 -4.63 115.29 113.29 2hfi s HIS 71 Ca 0.42 -0.88 -0.20 0.00 -0.15 0.00 0.00 55.06 54.26 2hfi s HIS 71 Cb -0.10 -0.49 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 2hfi s HIS 71 CO 0.37 -0.16 1.73 -0.22 -0.85 0.00 0.00 174.74 175.61 2hfi h LYS 72 N 3.17 0.10 -0.95 1.40 3.11 -1.99 -2.23 116.57 119.18 2hfi h LYS 72 Ca -0.35 -0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.55 2hfi h LYS 72 Cb 1.17 -0.02 -0.06 0.00 -1.00 0.00 0.00 32.23 32.31 2hfi h LYS 72 CO 0.62 0.07 0.62 1.49 -2.81 0.00 0.00 179.45 179.43 2hfi h GLU 73 N 0.10 1.06 -0.38 1.90 4.81 -2.01 -2.18 114.58 117.88 2hfi h GLU 73 Ca 0.08 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2hfi h GLU 73 Cb 0.08 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2hfi h GLU 73 CO -0.12 0.70 0.07 1.96 -0.73 0.00 0.00 179.01 180.89 2hfi h GLN 74 N 1.09 0.56 -0.45 1.92 4.20 -1.82 -1.52 115.11 119.09 2hfi h GLN 74 Ca 0.41 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 59.00 2hfi h GLN 74 Cb 0.20 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2hfi h GLN 74 CO -0.16 0.54 0.20 0.82 -0.67 0.00 0.00 178.83 179.55 2hfi h ILE 75 N 0.55 1.19 -0.29 2.54 1.08 -1.14 0.27 117.51 121.71 2hfi h ILE 75 Ca 0.13 -0.57 -0.15 0.00 -0.39 0.00 0.00 64.86 63.87 2hfi h ILE 75 Cb 0.25 0.74 -0.00 0.00 -3.07 0.00 0.00 36.82 34.74 2hfi h ILE 75 CO 0.00 0.22 -0.42 -0.33 -0.69 0.00 0.00 178.15 176.93 2hfi h GLU 76 N 0.58 0.79 -0.40 2.37 5.08 -1.52 -2.59 114.58 118.90 2hfi h GLU 76 Ca 0.15 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2hfi h GLU 76 Cb 0.16 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2hfi h GLU 76 CO -0.02 1.10 0.16 0.00 -1.00 0.00 0.00 179.01 179.26 2hfi h ALA 77 N 0.69 0.51 -0.42 3.43 0.00 -0.99 -2.26 119.26 120.22 2hfi h ALA 77 Ca 0.03 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2hfi h ALA 77 Cb 1.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2hfi h ALA 77 CO 0.10 0.11 -0.23 0.28 0.00 0.00 0.00 179.25 179.50 2hfi h VAL 78 N 0.49 1.28 -0.63 0.00 2.07 -0.50 0.14 116.25 119.10 2hfi h VAL 78 Ca 0.13 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.31 2hfi h VAL 78 Cb 0.18 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2hfi h VAL 78 CO -0.01 0.47 0.36 0.50 0.02 0.00 0.00 177.57 178.90 2hfi h LYS 79 N 0.72 0.66 0.09 1.57 3.64 -1.39 0.36 116.57 122.22 2hfi h LYS 79 Ca 0.09 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2hfi h LYS 79 Cb 0.80 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2hfi h LYS 79 CO 0.07 0.44 -0.04 0.22 -2.27 0.00 0.00 179.45 177.86 2hfi h ASP 80 N 0.68 -0.10 0.28 4.20 1.82 -1.19 -2.77 116.42 119.34 2hfi h ASP 80 Ca 0.27 -0.32 -0.05 0.00 -0.39 0.00 0.00 57.03 56.54 2hfi h ASP 80 Cb 0.13 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 2hfi h ASP 80 CO -0.15 0.28 -0.23 0.78 -1.61 0.00 0.00 179.24 178.31 2hfi h ASN 81 N -0.49 0.00 0.07 2.28 2.35 -0.50 0.17 115.58 119.46 2hfi h ASN 81 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2hfi h ASN 81 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2hfi h ASN 81 CO 0.02 0.23 -0.03 0.15 -1.65 0.00 0.00 177.43 176.14 2hfi h PHE 82 N 0.00 -0.08 -0.33 1.19 3.57 -0.26 0.22 116.94 121.25 2hfi h PHE 82 Ca -0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2hfi h PHE 82 Cb 0.43 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2hfi h PHE 82 CO 0.00 0.20 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.10 2hfi h LEU 83 N -0.36 0.55 0.02 0.59 3.38 -1.17 -2.26 115.31 116.05 2hfi h LEU 83 Ca -0.01 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2hfi h LEU 83 Cb 0.32 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2hfi h LEU 83 CO 0.01 0.69 -0.01 -0.08 0.09 0.00 0.00 178.44 179.15 2hfi h GLU 84 N 0.52 -0.02 -0.36 1.13 4.57 -0.52 -1.31 114.58 118.59 2hfi h GLU 84 Ca 0.10 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 2hfi h GLU 84 Cb 0.50 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 2hfi h GLU 84 CO 0.03 0.00 0.04 1.25 -1.18 0.00 0.00 179.01 179.15 2hfi h LEU 85 N -0.04 -0.06 -0.49 1.64 6.46 -0.25 0.24 115.31 122.80 2hfi h LEU 85 Ca -0.00 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.84 2hfi h LEU 85 Cb 0.03 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 2hfi h LEU 85 CO 0.00 0.01 0.31 0.58 -0.62 0.00 0.00 178.44 178.72 2hfi h VAL 86 N 0.15 1.09 -0.13 1.05 2.07 -1.31 -0.11 116.25 119.06 2hfi h VAL 86 Ca 0.17 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2hfi h VAL 86 Cb 0.22 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2hfi h VAL 86 CO -0.26 0.11 0.02 0.25 0.02 0.00 0.00 177.57 177.72 2hfi h LEU 87 N 0.63 0.21 -0.72 2.57 5.85 -0.43 -2.74 115.31 120.68 2hfi h LEU 87 Ca 0.19 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2hfi h LEU 87 Cb -0.03 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2hfi h LEU 87 CO -0.06 0.41 0.00 1.56 -0.34 0.00 0.00 178.44 180.01 2hfi h GLN 88 N -0.00 0.00 -0.14 1.25 4.20 -0.41 -2.40 115.11 117.61 2hfi h GLN 88 Ca 0.04 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 2hfi h GLN 88 Cb 0.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2hfi h GLN 88 CO 0.00 0.00 -0.45 1.03 -0.67 0.00 0.00 178.83 178.75 2hfi h SER 89 N 0.00 0.36 0.07 1.46 0.87 -0.70 0.30 113.55 115.91 2hfi h SER 89 Ca 0.00 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2hfi h SER 89 Cb 0.46 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2hfi h SER 89 CO 0.00 0.76 -0.03 1.88 -0.53 0.00 0.00 176.83 178.91 2hfi h TYR 90 N 0.28 -0.09 0.07 2.24 0.05 -1.41 -3.38 116.97 114.74 2hfi h TYR 90 Ca 0.02 -0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.51 2hfi h TYR 90 Cb 0.90 0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.65 2hfi h TYR 90 CO 0.02 0.48 -1.52 -0.39 -1.05 0.00 0.00 178.16 175.70 2hfi h VAL 91 N -0.89 1.13 -5.86 -2.88 -1.51 -1.62 -3.49 116.25 101.13 2hfi h VAL 91 Ca -0.01 -2.84 -0.29 0.00 -1.23 0.00 0.00 66.70 62.33 2hfi h VAL 91 Cb 0.60 2.68 0.01 0.00 -2.13 0.00 0.00 31.29 32.45 2hfi h VAL 91 CO 0.02 0.77 -1.02 0.00 -1.23 0.00 0.00 177.57 176.11 2hfi n HIS 92 N -3.34 -1.95 0.90 5.19 1.44 0.10 -4.90 115.22 112.65 2hfi n HIS 92 Ca -0.15 0.82 0.11 0.00 -2.01 0.00 0.00 57.72 56.49 2hfi n HIS 92 Cb 1.03 -1.39 0.08 0.00 0.12 0.00 0.00 29.99 29.83 2hfi n HIS 92 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2hfi n HIS 93 N 0.04 0.00 -3.12 -1.40 1.44 -1.26 -4.94 115.22 105.99 2hfi n HIS 93 Ca -0.07 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.38 2hfi n HIS 93 Cb 0.56 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.66 2hfi n HIS 93 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 2hfi s ILE 94 N -1.83 5.00 -0.00 0.61 -4.36 -1.26 -5.06 121.20 114.30 2hfi s ILE 94 Ca 0.25 -0.04 -0.00 0.00 -0.26 0.00 0.00 60.65 60.59 2hfi s ILE 94 Cb 0.18 -3.82 -0.00 0.00 1.25 0.00 0.00 42.46 40.07 2hfi s ILE 94 CO 0.29 -0.57 -0.00 -0.74 0.24 0.00 0.00 174.94 174.15 2hfi h HIS 95 N 0.91 0.00 0.00 1.37 -0.00 -2.02 -3.50 115.15 111.92 2hfi h HIS 95 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 2hfi h HIS 95 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 2hfi h HIS 95 CO 0.56 0.00 0.00 1.17 -0.00 0.00 0.00 177.93 179.66 2hfi n LYS 96 N -2.16 0.00 -0.21 5.26 0.00 -1.26 -4.98 118.16 114.82 2hfi n LYS 96 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.24 2hfi n LYS 96 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.07 2hfi n LYS 96 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2hfi h LYS 97 N 0.00 0.84 -0.31 1.64 1.57 -2.02 -2.22 116.57 116.07 2hfi h LYS 97 Ca 0.00 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 2hfi h LYS 97 Cb 0.00 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2hfi h LYS 97 CO 0.00 0.64 -0.06 0.00 -0.57 0.00 0.00 179.45 179.46 2hfi h ARG 98 N 0.81 0.51 -0.51 3.15 3.08 -1.98 -3.01 114.38 116.43 2hfi h ARG 98 Ca 0.21 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 2hfi h ARG 98 Cb 0.05 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2hfi h ARG 98 CO -0.03 0.58 0.06 0.35 -1.07 0.00 0.00 179.97 179.86 2hfi h PHE 99 N 0.48 0.85 0.20 3.04 3.57 -1.78 -1.95 116.94 121.35 2hfi h PHE 99 Ca 0.10 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2hfi h PHE 99 Cb 0.41 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2hfi h PHE 99 CO 0.01 0.75 -0.09 -0.22 -2.23 0.00 0.00 178.31 176.53 2hfi h LYS 100 N 0.77 -0.25 -0.50 1.11 3.64 -1.43 -1.61 116.57 118.30 2hfi h LYS 100 Ca 0.16 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2hfi h LYS 100 Cb 0.38 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 2hfi h LYS 100 CO 0.01 -0.08 0.28 0.22 -2.27 0.00 0.00 179.45 177.60 2hfi h ASP 101 N -0.37 0.42 -0.12 4.20 3.58 -1.51 0.31 116.42 122.93 2hfi h ASP 101 Ca -0.03 0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.47 2hfi h ASP 101 Cb 0.29 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 2hfi h ASP 101 CO 0.04 0.29 -0.05 0.40 -2.88 0.00 0.00 179.24 177.05 2hfi h ILE 102 N 0.54 0.83 -0.50 2.25 2.04 -1.31 0.19 117.51 121.54 2hfi h ILE 102 Ca 0.21 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.10 2hfi h ILE 102 Cb 0.08 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2hfi h ILE 102 CO -0.13 0.00 0.29 0.74 0.00 0.00 0.00 178.15 179.05 2hfi h THR 103 N -0.04 1.03 0.03 -0.27 2.02 -0.57 -1.71 112.91 113.40 2hfi h THR 103 Ca 0.06 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 2hfi h THR 103 Cb 0.13 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2hfi h THR 103 CO -0.14 0.11 -0.01 -0.33 0.37 0.00 0.00 175.52 175.51 2hfi h GLU 104 N 0.58 -0.04 -0.63 6.66 4.39 0.07 0.07 114.58 125.68 2hfi h GLU 104 Ca 0.21 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 2hfi h GLU 104 Cb 0.05 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 2hfi h GLU 104 CO -0.11 -0.01 0.31 1.03 -1.16 0.00 0.00 179.01 179.07 2hfi h SER 105 N -0.06 0.82 0.47 1.42 0.87 -0.43 0.50 113.55 117.14 2hfi h SER 105 Ca -0.00 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2hfi h SER 105 Cb 0.05 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2hfi h SER 105 CO 0.01 0.71 -0.23 0.58 -0.53 0.00 0.00 176.83 177.38 2hfi h VAL 106 N 0.86 0.39 -0.55 2.23 2.07 -1.21 -2.80 116.25 117.23 2hfi h VAL 106 Ca 0.22 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2hfi h VAL 106 Cb 0.11 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 2hfi h VAL 106 CO -0.03 0.06 0.28 -0.07 0.02 0.00 0.00 177.57 177.83 2hfi h LEU 107 N -0.97 0.40 -0.49 2.57 -0.00 -0.91 0.73 115.31 116.63 2hfi h LEU 107 Ca -0.06 0.03 0.04 0.00 -0.00 0.00 0.00 57.88 57.89 2hfi h LEU 107 Cb 0.59 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.16 2hfi h LEU 107 CO 0.11 0.27 0.25 0.22 -0.00 0.00 0.00 178.44 179.28 2hfi h TYR 108 N 0.53 0.46 -0.32 1.13 3.20 -0.97 -0.23 116.97 120.78 2hfi h TYR 108 Ca 0.25 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.99 2hfi h TYR 108 Cb 0.16 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2hfi h TYR 108 CO -0.10 0.23 -0.39 1.15 -1.64 0.00 0.00 178.16 177.40 2hfi h THR 109 N 0.49 1.29 -0.58 1.81 2.02 -1.13 -2.22 112.91 114.58 2hfi h THR 109 Ca 0.22 -1.56 0.03 0.00 0.77 0.00 0.00 66.41 65.86 2hfi h THR 109 Cb 0.12 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 2hfi h THR 109 CO -0.15 0.51 0.35 -0.07 0.37 0.00 0.00 175.52 176.53 2hfi h LEU 110 N 0.62 0.57 -1.15 2.58 3.38 -0.20 -0.92 115.31 120.19 2hfi h LEU 110 Ca 0.05 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2hfi h LEU 110 Cb 0.94 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2hfi h LEU 110 CO 0.09 0.39 -0.08 0.45 0.09 0.00 0.00 178.44 179.38 2hfi h HIS 111 N 0.69 0.52 -0.54 1.13 3.86 -0.92 -0.14 115.15 119.76 2hfi h HIS 111 Ca 0.24 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.31 2hfi h HIS 111 Cb 0.04 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 2hfi h HIS 111 CO -0.06 0.57 0.06 0.00 0.86 0.00 0.00 177.93 179.37 2hfi h ALA 112 N 1.45 0.71 -0.05 2.45 0.00 -0.67 0.10 119.26 123.26 2hfi h ALA 112 Ca 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2hfi h ALA 112 Cb 0.43 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2hfi h ALA 112 CO 0.02 0.48 -0.13 0.28 0.00 0.00 0.00 179.25 179.90 2hfi h VAL 113 N 0.79 1.44 -0.73 0.00 2.07 -0.93 -2.67 116.25 116.22 2hfi h VAL 113 Ca 0.16 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 66.20 2hfi h VAL 113 Cb 0.44 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.48 2hfi h VAL 113 CO 0.01 0.41 0.47 0.50 0.02 0.00 0.00 177.57 178.99 2hfi h LYS 114 N -0.35 0.91 -0.19 1.57 3.11 -0.99 -1.31 116.57 119.31 2hfi h LYS 114 Ca -0.00 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 2hfi h LYS 114 Cb 0.73 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 2hfi h LYS 114 CO 0.03 0.60 0.07 0.22 -2.81 0.00 0.00 179.45 177.56 2hfi h ASP 115 N 0.94 0.27 -0.39 4.20 3.58 -0.82 -0.16 116.42 124.03 2hfi h ASP 115 Ca 0.28 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 2hfi h ASP 115 Cb -0.05 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2hfi h ASP 115 CO -0.08 0.37 0.21 -0.33 -2.88 0.00 0.00 179.24 176.53 2hfi h GLU 116 N 0.14 0.54 -0.10 0.28 5.08 -1.24 0.12 114.58 119.41 2hfi h GLU 116 Ca 0.06 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2hfi h GLU 116 Cb 0.19 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2hfi h GLU 116 CO -0.00 0.44 -0.05 0.82 -1.00 0.00 0.00 179.01 179.22 2hfi h ILE 117 N 0.50 0.84 0.00 3.13 2.04 -1.09 0.15 117.51 123.09 2hfi h ILE 117 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2hfi h ILE 117 Cb 0.06 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2hfi h ILE 117 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.13 2hfi n ALA 118 N -2.30 1.89 -0.10 1.87 0.00 -0.09 -2.53 120.51 119.25 2hfi n ALA 118 Ca -0.04 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 2hfi n ALA 118 Cb 0.10 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 2hfi n ALA 118 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2hfi n ARG 119 N -1.78 0.54 0.13 0.00 0.63 0.40 -4.39 116.66 112.18 2hfi n ARG 119 Ca 0.04 0.47 -0.13 0.00 -0.92 0.00 0.00 57.85 57.31 2hfi n ARG 119 Cb 0.25 -1.66 -0.08 0.00 0.45 0.00 0.00 32.46 31.43 2hfi n ARG 119 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2hfi h GLU 120 N -1.00 -0.29 -0.31 -0.14 4.39 -0.77 -3.45 114.58 113.01 2hfi h GLU 120 Ca -0.32 0.02 0.22 0.00 0.34 0.00 0.00 59.36 59.62 2hfi h GLU 120 Cb 1.17 0.07 -0.20 0.00 -0.10 0.00 0.00 28.75 29.69 2hfi h GLU 120 CO -0.19 -0.02 0.03 0.34 -1.16 0.00 0.00 179.01 178.01 2hfi s ASP 121 N -5.13 -0.48 -0.21 1.42 2.15 -1.05 -5.08 116.67 108.29 2hfi s ASP 121 Ca -0.15 0.14 -0.16 0.00 0.43 0.00 0.00 52.55 52.82 2hfi s ASP 121 Cb 0.03 1.34 -0.10 0.00 -0.30 0.00 0.00 42.92 43.89 2hfi s ASP 121 CO 0.60 -0.09 -0.20 -1.54 -0.17 0.00 0.00 175.17 173.77 2hfi n SER 122 N 5.27 1.91 0.00 -0.34 3.41 -1.17 -4.75 113.62 117.94 2hfi n SER 122 Ca 0.03 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2hfi n SER 122 Cb 0.56 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2hfi n SER 122 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42