#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 0.80 0.00 -0.89 2.34 -1.26 -4.85 118.68 114.82 2hfi s LEU 2 Ca 0.00 -1.86 0.00 0.00 0.06 0.00 0.00 54.13 52.33 2hfi s LEU 2 Cb 0.00 -0.36 0.00 0.00 -0.56 0.00 0.00 46.19 45.27 2hfi s LEU 2 CO 0.00 -0.36 0.00 -0.24 -1.06 0.00 0.00 176.35 174.69 2hfi n SER 3 N 4.48 0.00 0.00 1.48 2.88 -1.26 -4.97 113.62 116.23 2hfi n SER 3 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2hfi n SER 3 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 2hfi n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hfi n GLN 4 N -0.61 0.00 -1.35 -1.46 3.00 -1.26 -2.83 117.38 112.88 2hfi n GLN 4 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 2hfi n GLN 4 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.25 2hfi n GLN 4 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2hfi n THR 5 N 0.00 0.00 0.00 5.09 5.66 -1.26 -4.99 114.28 118.78 2hfi n THR 5 Ca 0.00 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 2hfi n THR 5 Cb 0.00 0.43 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 2hfi n THR 5 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2hfi n LEU 6 N -0.22 0.00 0.03 1.09 7.94 -1.16 -4.92 117.00 119.75 2hfi n LEU 6 Ca -0.05 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.73 2hfi n LEU 6 Cb 0.50 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.37 2hfi n LEU 6 CO -0.03 0.00 0.76 0.25 -1.11 0.00 0.00 177.39 177.25 2hfi h LEU 7 N 0.00 -0.02 -1.60 -1.96 5.85 -1.91 -2.35 115.31 113.32 2hfi h LEU 7 Ca 0.00 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 2hfi h LEU 7 Cb 0.00 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2hfi h LEU 7 CO 0.00 0.20 0.04 1.05 -0.34 0.00 0.00 178.44 179.39 2hfi h GLU 8 N -0.25 0.29 -0.40 1.25 9.09 -1.94 0.92 114.58 123.55 2hfi h GLU 8 Ca -0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.36 2hfi h GLU 8 Cb 0.23 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.26 2hfi h GLU 8 CO 0.00 0.29 0.20 0.52 0.05 0.00 0.00 179.01 180.07 2hfi h MET 9 N 0.29 0.57 -0.40 1.06 2.86 -1.86 0.14 114.93 117.60 2hfi h MET 9 Ca 0.07 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 2hfi h MET 9 Cb 0.14 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2hfi h MET 9 CO -0.00 0.49 -0.04 1.15 1.06 0.00 0.00 176.91 179.57 2hfi h THR 10 N 0.51 1.27 -0.84 2.22 2.02 -0.69 -1.05 112.91 116.34 2hfi h THR 10 Ca 0.14 -1.08 0.06 0.00 0.77 0.00 0.00 66.41 66.30 2hfi h THR 10 Cb 0.10 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 2hfi h THR 10 CO -0.02 0.36 0.52 -0.33 0.37 0.00 0.00 175.52 176.42 2hfi h GLU 11 N 0.55 0.91 -0.47 6.66 4.39 -0.59 -0.22 114.58 125.81 2hfi h GLU 11 Ca 0.11 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 2hfi h GLU 11 Cb 0.53 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2hfi h GLU 11 CO 0.03 0.60 0.03 0.37 -1.16 0.00 0.00 179.01 178.88 2hfi h GLN 12 N 0.94 0.80 -0.84 2.33 4.15 -0.47 -1.86 115.11 120.15 2hfi h GLN 12 Ca 0.37 -0.24 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 2hfi h GLN 12 Cb 0.19 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 2hfi h GLN 12 CO -0.18 0.84 0.42 0.52 -1.93 0.00 0.00 178.83 178.50 2hfi h MET 13 N 0.66 1.20 -0.53 1.69 2.86 -0.40 0.60 114.93 121.00 2hfi h MET 13 Ca 0.14 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2hfi h MET 13 Cb 0.46 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 2hfi h MET 13 CO 0.02 0.91 0.34 0.82 1.06 0.00 0.00 176.91 180.06 2hfi h ILE 14 N 1.19 1.14 -0.28 -1.22 2.04 -0.90 -0.89 117.51 118.59 2hfi h ILE 14 Ca 0.29 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2hfi h ILE 14 Cb 0.09 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2hfi h ILE 14 CO -0.04 0.14 0.15 -0.08 0.00 0.00 0.00 178.15 178.32 2hfi h GLU 15 N 0.71 0.40 -0.34 2.37 4.57 -0.52 0.19 114.58 121.96 2hfi h GLU 15 Ca 0.19 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 2hfi h GLU 15 Cb -0.07 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2hfi h GLU 15 CO -0.04 0.36 0.17 0.28 -1.18 0.00 0.00 179.01 178.59 2hfi h VAL 16 N 0.34 1.15 -0.32 0.32 2.07 -0.72 0.12 116.25 119.22 2hfi h VAL 16 Ca 0.10 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2hfi h VAL 16 Cb 0.08 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2hfi h VAL 16 CO -0.02 0.16 0.18 0.00 0.02 0.00 0.00 177.57 177.92 2hfi h ALA 17 N 1.03 0.41 -0.25 1.67 0.00 -0.99 0.21 119.26 121.34 2hfi h ALA 17 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hfi h ALA 17 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2hfi h ALA 17 CO -0.02 -0.08 0.15 0.93 0.00 0.00 0.00 179.25 180.24 2hfi h GLU 18 N 0.40 0.34 -0.08 0.00 4.39 -0.77 -0.86 114.58 118.00 2hfi h GLU 18 Ca 0.11 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2hfi h GLU 18 Cb 0.03 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2hfi h GLU 18 CO -0.02 0.26 0.05 -0.22 -1.16 0.00 0.00 179.01 177.92 2hfi h LYS 19 N 0.31 0.10 -0.41 2.33 1.63 -0.53 -1.56 116.57 118.44 2hfi h LYS 19 Ca 0.09 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.79 2hfi h LYS 19 Cb 0.01 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 2hfi h LYS 19 CO -0.02 0.08 -0.11 0.78 -3.45 0.00 0.00 179.45 176.73 2hfi h GLY 20 N 0.09 0.79 1.21 5.01 0.00 -0.86 0.36 103.07 109.68 2hfi h GLY 20 Ca 0.03 -0.59 -0.17 0.00 0.00 0.00 0.00 47.33 46.59 2hfi h GLY 20 CO -0.01 0.54 -0.49 0.00 0.00 0.00 0.00 176.54 176.59 2hfi h ALA 21 N 1.21 0.55 0.00 3.60 0.00 -0.99 -0.28 119.26 123.34 2hfi h ALA 21 Ca 0.11 -0.49 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 2hfi h ALA 21 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2hfi h ALA 21 CO 0.04 0.68 -0.79 -0.44 0.00 0.00 0.00 179.25 178.74 2hfi h ASP 22 N 0.66 0.00 -0.37 0.00 3.32 -1.17 -1.86 116.42 116.99 2hfi h ASP 22 Ca 0.03 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 2hfi h ASP 22 Cb 1.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 2hfi h ASP 22 CO 0.11 0.79 0.04 -0.09 -1.72 0.00 0.00 179.24 178.36 2hfi h ARG 23 N 0.00 0.73 -0.30 3.56 2.43 -0.83 -1.67 114.38 118.30 2hfi h ARG 23 Ca -0.01 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.92 2hfi h ARG 23 Cb 1.49 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.93 2hfi h ARG 23 CO 0.10 0.72 -0.13 -0.92 -1.51 0.00 0.00 179.97 178.23 2hfi h TYR 24 N 0.69 0.56 0.03 2.20 3.20 -0.73 0.10 116.97 123.02 2hfi h TYR 24 Ca 0.14 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2hfi h TYR 24 Cb 0.37 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2hfi h TYR 24 CO 0.02 0.64 -0.01 0.37 -1.64 0.00 0.00 178.16 177.53 2hfi h GLN 25 N 0.48 -0.03 0.00 1.82 5.75 -0.87 -3.25 115.11 119.01 2hfi h GLN 25 Ca 0.09 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.47 2hfi h GLN 25 Cb 0.52 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 2hfi h GLN 25 CO 0.03 0.37 -0.57 0.93 -2.65 0.00 0.00 178.83 176.94 2hfi h GLU 26 N -0.45 0.00 -2.88 1.69 5.08 -1.25 -3.29 114.58 113.48 2hfi h GLU 26 Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.80 2hfi h GLU 26 Cb 0.42 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2hfi h GLU 26 CO 0.01 0.57 3.01 0.41 -1.00 0.00 0.00 179.01 182.00 2hfi n GLY 27 N 0.69 3.89 0.06 -3.84 0.00 0.34 -4.41 105.19 101.92 2hfi n GLY 27 Ca 0.00 -1.37 0.11 0.00 0.00 0.00 0.00 46.02 44.77 2hfi n GLY 27 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hfi n LYS 28 N 3.46 0.53 -0.12 1.61 2.85 -1.24 -4.47 118.16 120.77 2hfi n LYS 28 Ca 0.69 -0.02 -0.25 0.00 -1.05 0.00 0.00 58.31 57.68 2hfi n LYS 28 Cb 0.33 -1.65 -0.09 0.00 -0.65 0.00 0.00 35.03 32.96 2hfi n LYS 28 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2hfi n ASN 29 N -2.32 1.86 -4.69 -5.58 5.15 -1.26 -4.93 115.26 103.49 2hfi n ASN 29 Ca -0.01 0.21 -0.42 0.00 -0.60 0.00 0.00 54.58 53.76 2hfi n ASN 29 Cb 0.52 -0.66 -0.03 0.00 -0.53 0.00 0.00 39.78 39.09 2hfi n ASN 29 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2hfi s SER 30 N -7.05 6.72 0.00 1.20 0.01 -1.26 -4.97 113.70 108.35 2hfi s SER 30 Ca -0.34 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.21 2hfi s SER 30 Cb 0.12 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2hfi s SER 30 CO 0.47 -0.82 0.06 0.59 0.41 0.00 0.00 173.24 173.95 2hfi n ASN 31 N 5.69 0.00 -2.73 2.44 5.03 -1.26 -4.94 115.26 119.48 2hfi n ASN 31 Ca 0.15 0.06 -0.07 0.00 0.87 0.00 0.00 54.58 55.59 2hfi n ASN 31 Cb 0.42 0.00 0.05 0.00 -1.02 0.00 0.00 39.78 39.23 2hfi n ASN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2hfi n HIS 32 N -0.26 -2.73 -1.74 3.10 1.44 -1.26 -4.50 115.22 109.27 2hfi n HIS 32 Ca 0.00 -1.49 -0.42 0.00 -2.01 0.00 0.00 57.72 53.80 2hfi n HIS 32 Cb 0.00 1.46 -0.00 0.00 0.12 0.00 0.00 29.99 31.56 2hfi n HIS 32 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2hfi n SER 33 N 1.69 4.82 -4.08 4.39 2.88 -1.26 -4.86 113.62 117.20 2hfi n SER 33 Ca 0.08 -2.84 -0.14 0.00 -1.33 0.00 0.00 58.87 54.64 2hfi n SER 33 Cb 0.64 -1.62 -0.12 0.00 -0.75 0.00 0.00 64.21 62.37 2hfi n SER 33 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2hfi s TYR 34 N 2.64 0.76 0.00 0.66 2.02 -1.26 -5.09 117.35 117.08 2hfi s TYR 34 Ca 0.50 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 2hfi s TYR 34 Cb 0.14 -0.45 0.00 0.00 -0.40 0.00 0.00 41.96 41.25 2hfi s TYR 34 CO -0.08 -0.06 0.17 -3.47 -1.57 0.00 0.00 175.55 170.54 2hfi n ASP 35 N 1.46 0.00 0.00 2.29 2.03 -1.26 -5.05 116.55 116.02 2hfi n ASP 35 Ca -0.22 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2hfi n ASP 35 Cb 0.55 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 2hfi n ASP 35 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2hfi n PHE 36 N -1.47 -1.46 0.40 -0.67 7.35 -1.26 -4.96 117.46 115.39 2hfi n PHE 36 Ca 0.00 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2hfi n PHE 36 Cb 0.00 0.29 0.11 0.00 0.35 0.00 0.00 39.48 40.23 2hfi n PHE 36 CO 0.00 0.00 0.00 1.97 -0.76 0.00 0.00 176.76 177.97 2hfi n PHE 37 N -1.95 0.71 0.29 -5.13 1.16 -1.26 -2.49 117.46 108.79 2hfi n PHE 37 Ca 0.00 -0.40 -0.16 0.00 -1.87 0.00 0.00 57.45 55.02 2hfi n PHE 37 Cb 0.00 -0.29 -0.08 0.00 -1.61 0.00 0.00 39.48 37.50 2hfi n PHE 37 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 2hfi h GLU 38 N 0.98 -0.67 0.00 3.97 4.39 -1.98 -3.41 114.58 117.86 2hfi h GLU 38 Ca 0.05 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2hfi h GLU 38 Cb 1.11 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2hfi h GLU 38 CO 0.20 -0.43 -0.29 -2.37 -1.16 0.00 0.00 179.01 174.95 2hfi n THR 39 N -5.38 0.00 -2.11 1.13 5.66 -1.25 -4.91 114.28 107.42 2hfi n THR 39 Ca -0.12 -0.01 -0.42 0.00 -3.05 0.00 0.00 64.05 60.44 2hfi n THR 39 Cb 0.29 0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 2hfi n THR 39 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2hfi n ILE 40 N -0.47 3.87 0.10 1.09 -0.00 -1.04 -3.85 119.36 119.06 2hfi n ILE 40 Ca 0.00 -3.72 0.00 0.00 -0.00 0.00 0.00 62.75 59.03 2hfi n ILE 40 Cb 0.00 -2.49 0.00 0.00 -0.00 0.00 0.00 39.64 37.15 2hfi n ILE 40 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 2hfi n LYS 41 N 5.48 0.00 -0.04 0.38 3.00 -1.26 -4.10 118.16 121.63 2hfi n LYS 41 Ca 0.46 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.89 2hfi n LYS 41 Cb 0.39 0.00 0.52 0.00 0.00 0.00 0.00 35.03 35.94 2hfi n LYS 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2hfi h PRO 42 N 0.00 0.35 0.00 1.64 0.11 -1.90 -0.87 132.00 131.33 2hfi h PRO 42 Ca 0.00 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 2hfi h PRO 42 Cb 0.00 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 2hfi h PRO 42 CO 0.00 0.23 -0.21 0.00 -0.21 0.00 0.00 178.00 177.80 2hfi h ALA 43 N 1.73 0.88 0.01 -0.75 0.00 -1.94 -3.34 119.26 115.86 2hfi h ALA 43 Ca 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2hfi h ALA 43 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2hfi h ALA 43 CO -0.06 0.27 -0.01 0.28 0.00 0.00 0.00 179.25 179.73 2hfi h VAL 44 N 0.00 1.07 -0.95 0.00 2.07 -1.49 0.86 116.25 117.82 2hfi h VAL 44 Ca -0.00 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.28 2hfi h VAL 44 Cb 1.06 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 2hfi h VAL 44 CO 0.03 0.06 0.63 -0.33 0.02 0.00 0.00 177.57 177.98 2hfi h GLU 45 N -0.12 1.26 0.25 1.57 3.07 -1.68 0.08 114.58 119.00 2hfi h GLU 45 Ca -0.00 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 2hfi h GLU 45 Cb 0.12 -0.28 0.00 0.00 -0.84 0.00 0.00 28.75 27.75 2hfi h GLU 45 CO 0.00 0.83 -0.12 0.93 -1.40 0.00 0.00 179.01 179.26 2hfi h GLU 46 N 1.30 -0.32 -0.61 2.33 4.39 -1.57 -2.12 114.58 117.97 2hfi h GLU 46 Ca 0.35 0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.08 2hfi h GLU 46 Cb -0.15 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 2hfi h GLU 46 CO -0.08 -0.06 0.40 -0.91 -1.16 0.00 0.00 179.01 177.21 2hfi h ASN 47 N -0.55 0.69 0.20 1.42 -0.26 -0.62 0.31 115.58 116.78 2hfi h ASN 47 Ca -0.03 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 2hfi h ASN 47 Cb 0.41 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 2hfi h ASN 47 CO 0.06 0.50 -0.19 -0.78 -1.06 0.00 0.00 177.43 175.96 2hfi h ASP 48 N 0.82 -0.50 -0.66 5.81 3.58 -0.99 0.95 116.42 125.43 2hfi h ASP 48 Ca 0.22 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 2hfi h ASP 48 Cb -0.09 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 2hfi h ASP 48 CO -0.05 -0.29 0.38 -0.33 -2.88 0.00 0.00 179.24 176.08 2hfi h GLU 49 N -0.42 0.91 0.22 0.28 4.39 -1.17 -2.44 114.58 116.35 2hfi h GLU 49 Ca -0.00 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2hfi h GLU 49 Cb 0.39 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2hfi h GLU 49 CO -0.04 0.66 -0.17 1.25 -1.16 0.00 0.00 179.01 179.55 2hfi h LEU 50 N 0.90 -0.45 -0.54 1.33 5.85 -0.04 -0.24 115.31 122.11 2hfi h LEU 50 Ca 0.23 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2hfi h LEU 50 Cb 0.00 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2hfi h LEU 50 CO -0.04 -0.27 0.36 0.00 -0.34 0.00 0.00 178.44 178.15 2hfi h ALA 51 N 0.34 0.69 0.19 1.25 0.00 -0.76 0.12 119.26 121.09 2hfi h ALA 51 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2hfi h ALA 51 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2hfi h ALA 51 CO -0.01 0.13 -0.09 0.00 0.00 0.00 0.00 179.25 179.28 2hfi h ALA 52 N 1.20 -0.25 -0.53 0.00 0.00 -1.27 -1.35 119.26 117.05 2hfi h ALA 52 Ca 0.20 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2hfi h ALA 52 Cb -0.08 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2hfi h ALA 52 CO -0.04 -0.53 -0.00 -0.09 0.00 0.00 0.00 179.25 178.59 2hfi h ARG 53 N -0.48 0.89 -0.30 0.00 1.12 -0.92 -1.73 114.38 112.96 2hfi h ARG 53 Ca -0.03 -0.26 -0.10 0.00 -1.11 0.00 0.00 59.98 58.48 2hfi h ARG 53 Cb 0.37 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.23 2hfi h ARG 53 CO 0.04 0.89 -0.21 2.35 -3.11 0.00 0.00 179.97 179.93 2hfi h TRP 54 N 0.82 0.79 -0.41 2.20 7.01 -0.75 -0.81 115.95 124.80 2hfi h TRP 54 Ca 0.15 -0.22 0.02 0.00 2.11 0.00 0.00 58.89 60.96 2hfi h TRP 54 Cb 0.49 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.35 2hfi h TRP 54 CO 0.03 0.93 0.23 0.00 -2.79 0.00 0.00 178.44 176.84 2hfi h ALA 55 N 0.73 0.52 -0.93 2.65 0.00 -1.09 0.25 119.26 121.39 2hfi h ALA 55 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2hfi h ALA 55 Cb 0.76 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2hfi h ALA 55 CO 0.06 -0.11 0.61 0.93 0.00 0.00 0.00 179.25 180.74 2hfi h GLU 56 N 0.47 1.21 -0.15 0.00 4.39 -1.19 0.11 114.58 119.42 2hfi h GLU 56 Ca 0.17 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.63 2hfi h GLU 56 Cb 0.04 -0.27 0.01 0.00 -0.10 0.00 0.00 28.75 28.42 2hfi h GLU 56 CO -0.09 0.80 -0.56 0.78 -1.16 0.00 0.00 179.01 178.77 2hfi h GLY 57 N 1.25 0.71 0.99 -3.84 0.00 -0.61 -2.31 103.07 99.24 2hfi h GLY 57 Ca 0.35 -0.95 -0.07 0.00 0.00 0.00 0.00 47.33 46.65 2hfi h GLY 57 CO -0.08 0.85 0.01 0.00 0.00 0.00 0.00 176.54 177.31 2hfi h ALA 58 N 0.53 0.63 -0.32 3.60 0.00 -0.32 -1.76 119.26 121.62 2hfi h ALA 58 Ca -0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2hfi h ALA 58 Cb 1.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2hfi h ALA 58 CO 0.12 0.42 0.05 -0.07 0.00 0.00 0.00 179.25 179.76 2hfi h LEU 59 N 0.67 0.43 -0.06 0.00 3.38 -0.84 -1.04 115.31 117.85 2hfi h LEU 59 Ca 0.13 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2hfi h LEU 59 Cb 0.49 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2hfi h LEU 59 CO 0.02 0.47 0.03 -0.08 0.09 0.00 0.00 178.44 178.97 2hfi h GLU 60 N 0.46 0.08 -0.20 1.13 4.57 -1.04 -2.15 114.58 117.44 2hfi h GLU 60 Ca 0.11 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2hfi h GLU 60 Cb 0.23 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2hfi h GLU 60 CO 0.00 0.18 0.07 1.25 -1.18 0.00 0.00 179.01 179.33 2hfi h LEU 61 N -0.03 0.29 0.00 1.64 6.46 -0.70 -1.18 115.31 121.79 2hfi h LEU 61 Ca 0.02 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 2hfi h LEU 61 Cb 0.12 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 2hfi h LEU 61 CO -0.00 0.39 0.00 2.30 -0.62 0.00 0.00 178.44 180.51 2hfi n ILE 62 N -4.81 0.59 0.01 4.05 -5.35 -0.45 -1.97 119.36 111.42 2hfi n ILE 62 Ca -0.04 0.15 -0.19 0.00 -0.27 0.00 0.00 62.75 62.40 2hfi n ILE 62 Cb 0.14 -0.82 -0.14 0.00 -1.74 0.00 0.00 39.64 37.08 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 0.20 -0.16 6.28 3.64 -0.63 -3.39 116.57 122.51 2hfi h LYS 63 Ca 0.00 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2hfi h LYS 63 Cb 0.27 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2hfi h LYS 63 CO 0.00 1.17 0.09 0.28 -2.27 0.00 0.00 179.45 178.72 2hfi h VAL 64 N -0.53 1.08 -1.03 2.00 2.07 -0.59 -3.46 116.25 115.79 2hfi h VAL 64 Ca -0.16 -0.19 -0.65 0.00 0.82 0.00 0.00 66.70 66.52 2hfi h VAL 64 Cb 1.51 0.93 -0.13 0.00 -1.52 0.00 0.00 31.29 32.07 2hfi h VAL 64 CO 0.08 0.07 -0.52 0.00 0.02 0.00 0.00 177.57 177.21 2hfi s ARG 65 N -5.98 2.11 -0.47 1.57 1.04 -1.01 -5.10 118.95 111.10 2hfi s ARG 65 Ca -0.13 -2.32 -0.20 0.00 -1.04 0.00 0.00 55.73 52.03 2hfi s ARG 65 Cb 0.07 -1.31 0.04 0.00 -2.04 0.00 0.00 34.95 31.71 2hfi s ARG 65 CO 0.69 -0.36 0.65 1.03 -0.04 0.00 0.00 175.30 177.26 2hfi s ARG 66 N -3.83 3.22 1.02 3.89 3.00 -1.26 -4.64 118.95 120.35 2hfi s ARG 66 Ca 0.12 -0.56 -0.13 0.00 0.00 0.00 0.00 55.73 55.16 2hfi s ARG 66 Cb 0.03 -4.01 0.20 0.00 0.00 0.00 0.00 34.95 31.16 2hfi s ARG 66 CO 0.07 -1.11 1.10 -1.25 0.00 0.00 0.00 175.30 174.11 2hfi s PRO 67 N 2.81 0.28 0.00 3.54 0.04 -1.26 -4.99 135.00 135.42 2hfi s PRO 67 Ca 0.20 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2hfi s PRO 67 Cb -0.16 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2hfi s PRO 67 CO 0.16 -2.80 0.00 0.36 0.04 0.00 0.00 177.00 174.76 2hfi n LYS 68 N -4.20 0.02 -0.05 4.56 0.00 -1.26 -4.94 118.16 112.29 2hfi n LYS 68 Ca 0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.21 2hfi n LYS 68 Cb 0.58 -0.05 -0.14 0.00 -0.00 0.00 0.00 35.03 35.42 2hfi n LYS 68 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2hfi n TYR 69 N -0.49 0.67 -4.10 5.58 4.01 -1.26 -4.90 117.16 116.68 2hfi n TYR 69 Ca 0.00 0.18 -0.35 0.00 -0.16 0.00 0.00 57.90 57.57 2hfi n TYR 69 Cb 0.00 -1.10 -0.07 0.00 -0.31 0.00 0.00 39.34 37.86 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 -2.55 4.90 0.17 -0.72 0.11 -1.26 -4.84 120.40 116.22 2hfi s VAL 70 Ca -0.19 -0.15 0.10 0.00 -2.93 0.00 0.00 61.98 58.81 2hfi s VAL 70 Cb 0.07 -3.16 -0.04 0.00 -1.53 0.00 0.00 36.38 31.72 2hfi s VAL 70 CO 0.75 0.51 -0.16 -1.00 -3.33 0.00 0.00 175.10 171.87 2hfi s HIS 71 N -1.06 2.51 0.34 1.54 3.76 -1.26 -4.85 115.29 116.28 2hfi s HIS 71 Ca 0.18 -0.27 0.18 0.00 -0.15 0.00 0.00 55.06 54.99 2hfi s HIS 71 Cb -0.12 -1.26 0.92 0.00 1.11 0.00 0.00 32.58 33.23 2hfi s HIS 71 CO 0.08 0.48 1.88 1.57 -0.85 0.00 0.00 174.74 177.90 2hfi h LYS 72 N 3.18 0.00 -0.80 1.40 2.10 -2.00 -1.45 116.57 119.00 2hfi h LYS 72 Ca -0.47 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.16 2hfi h LYS 72 Cb 1.20 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.49 2hfi h LYS 72 CO 0.50 0.30 0.44 0.93 -2.00 0.00 0.00 179.45 179.62 2hfi h GLU 73 N 0.00 1.12 -0.83 0.07 4.39 -1.99 -2.92 114.58 114.42 2hfi h GLU 73 Ca -0.00 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 2hfi h GLU 73 Cb 0.61 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 2hfi h GLU 73 CO 0.04 0.83 0.42 1.96 -1.16 0.00 0.00 179.01 181.10 2hfi h GLN 74 N 1.12 1.18 -0.57 2.33 4.20 -1.68 0.28 115.11 121.98 2hfi h GLN 74 Ca 0.28 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2hfi h GLN 74 Cb 0.04 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 2hfi h GLN 74 CO -0.04 0.90 0.31 0.82 -0.67 0.00 0.00 178.83 180.14 2hfi h ILE 75 N 1.17 1.19 -0.15 2.54 1.08 -1.37 0.24 117.51 122.21 2hfi h ILE 75 Ca 0.29 -0.48 -0.18 0.00 -0.39 0.00 0.00 64.86 64.10 2hfi h ILE 75 Cb 0.09 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.31 2hfi h ILE 75 CO -0.04 0.20 -0.63 -0.33 -0.69 0.00 0.00 178.15 176.66 2hfi h GLU 76 N 0.76 0.55 -0.17 2.37 4.39 -1.27 -2.00 114.58 119.22 2hfi h GLU 76 Ca 0.20 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 2hfi h GLU 76 Cb 0.05 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2hfi h GLU 76 CO -0.03 1.01 0.01 0.00 -1.16 0.00 0.00 179.01 178.83 2hfi h ALA 77 N 0.90 0.22 -0.70 3.43 0.00 -0.10 -2.76 119.26 120.25 2hfi h ALA 77 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2hfi h ALA 77 Cb 1.20 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2hfi h ALA 77 CO 0.12 -0.08 0.26 0.28 0.00 0.00 0.00 179.25 179.83 2hfi h VAL 78 N 0.05 1.25 -0.55 0.00 2.07 -0.52 0.21 116.25 118.75 2hfi h VAL 78 Ca 0.05 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 66.83 2hfi h VAL 78 Cb 0.36 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 2hfi h VAL 78 CO 0.01 0.32 0.25 0.50 0.02 0.00 0.00 177.57 178.66 2hfi h LYS 79 N 1.03 0.45 0.02 1.57 3.64 -1.27 0.33 116.57 122.34 2hfi h LYS 79 Ca 0.23 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 2hfi h LYS 79 Cb 0.23 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2hfi h LYS 79 CO -0.02 0.30 -0.31 0.22 -2.27 0.00 0.00 179.45 177.37 2hfi h ASP 80 N 0.47 0.24 -0.78 4.20 3.58 -1.18 -3.27 116.42 119.68 2hfi h ASP 80 Ca 0.26 -0.84 -0.01 0.00 0.42 0.00 0.00 57.03 56.87 2hfi h ASP 80 Cb 0.23 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 2hfi h ASP 80 CO -0.22 1.05 0.46 0.78 -2.88 0.00 0.00 179.24 178.43 2hfi h ASN 81 N -0.54 0.95 -0.24 2.28 4.21 -0.42 -2.65 115.58 119.16 2hfi h ASN 81 Ca -0.04 -0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.40 2hfi h ASN 81 Cb 1.11 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 38.06 2hfi h ASN 81 CO 0.06 0.73 0.13 0.15 -1.29 0.00 0.00 177.43 177.22 2hfi h PHE 82 N 1.08 0.33 -0.75 1.19 3.57 -0.45 0.32 116.94 122.23 2hfi h PHE 82 Ca 0.28 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 2hfi h PHE 82 Cb -0.03 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 2hfi h PHE 82 CO 0.00 0.28 0.46 -0.07 -2.23 0.00 0.00 178.31 176.75 2hfi h LEU 83 N 0.28 0.90 -0.38 0.59 3.38 -1.55 -1.14 115.31 117.39 2hfi h LEU 83 Ca 0.08 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2hfi h LEU 83 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2hfi h LEU 83 CO -0.01 0.69 -0.10 -0.08 0.09 0.00 0.00 178.44 179.03 2hfi h GLU 84 N 1.03 0.73 -0.22 1.13 4.81 -1.16 -2.81 114.58 118.09 2hfi h GLU 84 Ca 0.27 -0.29 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2hfi h GLU 84 Cb -0.05 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 2hfi h GLU 84 CO -0.05 0.88 -0.08 1.25 -0.73 0.00 0.00 179.01 180.28 2hfi h LEU 85 N 0.53 -0.29 -0.47 1.64 6.46 0.17 0.17 115.31 123.52 2hfi h LEU 85 Ca 0.09 0.08 0.04 0.00 -0.12 0.00 0.00 57.88 57.97 2hfi h LEU 85 Cb 0.62 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.68 2hfi h LEU 85 CO 0.04 -0.11 0.24 0.58 -0.62 0.00 0.00 178.44 178.56 2hfi h VAL 86 N -0.05 0.96 -0.68 1.05 2.07 -1.22 -0.52 116.25 117.87 2hfi h VAL 86 Ca 0.11 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2hfi h VAL 86 Cb 0.22 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2hfi h VAL 86 CO -0.26 0.09 0.38 0.25 0.02 0.00 0.00 177.57 178.05 2hfi h LEU 87 N 0.47 0.84 -0.97 2.57 5.85 -1.08 -2.73 115.31 120.25 2hfi h LEU 87 Ca 0.20 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2hfi h LEU 87 Cb 0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2hfi h LEU 87 CO -0.14 0.68 -0.05 1.56 -0.34 0.00 0.00 178.44 180.15 2hfi h GLN 88 N 0.92 0.69 -0.92 1.25 1.08 -0.08 -2.96 115.11 115.10 2hfi h GLN 88 Ca 0.24 -0.19 0.10 0.00 -1.45 0.00 0.00 58.65 57.34 2hfi h GLN 88 Cb 0.02 -0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 27.30 2hfi h GLN 88 CO -0.04 0.74 0.59 1.03 -0.95 0.00 0.00 178.83 180.20 2hfi h SER 89 N 0.65 0.84 0.02 1.46 0.87 -0.78 0.29 113.55 116.88 2hfi h SER 89 Ca 0.12 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 2hfi h SER 89 Cb 0.47 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2hfi h SER 89 CO 0.02 0.49 -0.39 1.88 -0.53 0.00 0.00 176.83 178.31 2hfi h TYR 90 N 0.93 0.06 0.00 2.24 0.05 -1.56 -3.36 116.97 115.32 2hfi h TYR 90 Ca 0.43 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 59.14 2hfi h TYR 90 Cb 0.40 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.13 2hfi h TYR 90 CO -0.00 1.15 -0.10 -0.39 -1.05 0.00 0.00 178.16 177.77 2hfi h VAL 91 N -0.92 0.19 -5.70 -2.88 -1.51 -1.37 -3.43 116.25 100.63 2hfi h VAL 91 Ca -0.10 -1.15 -0.33 0.00 -1.23 0.00 0.00 66.70 63.89 2hfi h VAL 91 Cb 1.15 1.99 0.15 0.00 -2.13 0.00 0.00 31.29 32.45 2hfi h VAL 91 CO -0.03 0.10 -0.82 1.41 -1.23 0.00 0.00 177.57 177.00 2hfi n HIS 92 N -3.14 -2.21 0.04 5.19 8.25 1.00 -4.57 115.22 119.78 2hfi n HIS 92 Ca 0.03 0.87 -0.20 0.00 -0.26 0.00 0.00 57.72 58.16 2hfi n HIS 92 Cb 0.53 -4.58 -0.14 0.00 1.12 0.00 0.00 29.99 26.92 2hfi n HIS 92 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2hfi h HIS 93 N -1.64 0.58 -3.58 4.41 6.17 -1.91 -3.47 115.15 115.71 2hfi h HIS 93 Ca -0.60 -0.40 0.00 0.00 0.71 0.00 0.00 60.37 60.08 2hfi h HIS 93 Cb 1.34 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 31.23 2hfi h HIS 93 CO 0.39 1.29 0.00 0.44 0.71 0.00 0.00 177.93 180.76 2hfi n ILE 94 N -4.13 0.00 -4.18 6.26 -5.35 -1.26 -5.12 119.36 105.59 2hfi n ILE 94 Ca -0.13 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.08 2hfi n ILE 94 Cb 0.80 -1.12 -0.07 0.00 -1.74 0.00 0.00 39.64 37.52 2hfi n ILE 94 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 2hfi s HIS 95 N 0.96 2.92 0.22 4.28 3.76 -1.26 -4.99 115.29 121.17 2hfi s HIS 95 Ca 0.00 -0.11 -0.08 0.00 -0.15 0.00 0.00 55.06 54.72 2hfi s HIS 95 Cb 0.00 -1.41 0.27 0.00 1.11 0.00 0.00 32.58 32.55 2hfi s HIS 95 CO 0.00 0.52 1.82 0.87 -0.85 0.00 0.00 174.74 177.10 2hfi h LYS 96 N 2.63 0.74 -0.60 1.40 1.57 -1.98 0.81 116.57 121.14 2hfi h LYS 96 Ca -0.47 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.34 2hfi h LYS 96 Cb 1.20 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.28 2hfi h LYS 96 CO 0.59 0.49 0.27 0.87 -0.57 0.00 0.00 179.45 181.10 2hfi h LYS 97 N 0.76 0.48 -0.11 3.15 1.57 -1.99 0.31 116.57 120.74 2hfi h LYS 97 Ca 0.32 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.85 2hfi h LYS 97 Cb 0.19 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.40 2hfi h LYS 97 CO -0.18 0.32 -0.82 -0.09 -0.57 0.00 0.00 179.45 178.10 2hfi h ARG 98 N 0.49 0.72 -0.07 3.15 9.65 -1.81 -2.67 114.38 123.84 2hfi h ARG 98 Ca 0.29 -0.62 -0.00 0.00 -1.10 0.00 0.00 59.98 58.54 2hfi h ARG 98 Cb 0.28 0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 29.00 2hfi h ARG 98 CO -0.24 1.23 0.03 0.35 2.80 0.00 0.00 179.97 184.13 2hfi h PHE 99 N 0.47 0.10 -0.12 2.20 3.04 -0.18 0.38 116.94 122.83 2hfi h PHE 99 Ca -0.06 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.83 2hfi h PHE 99 Cb 1.45 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.92 2hfi h PHE 99 CO 0.08 0.23 -0.15 0.87 -2.02 0.00 0.00 178.31 177.32 2hfi h LYS 100 N -0.06 0.19 -0.27 1.11 1.79 -0.48 0.30 116.57 119.15 2hfi h LYS 100 Ca 0.02 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 2hfi h LYS 100 Cb 0.18 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 2hfi h LYS 100 CO -0.00 0.35 -0.11 0.22 -1.08 0.00 0.00 179.45 178.84 2hfi h ASP 101 N 0.18 0.56 -0.83 0.86 3.58 -1.12 0.35 116.42 120.01 2hfi h ASP 101 Ca 0.04 -0.39 0.01 0.00 0.42 0.00 0.00 57.03 57.10 2hfi h ASP 101 Cb 0.39 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 2hfi h ASP 101 CO 0.02 0.83 0.54 0.40 -2.88 0.00 0.00 179.24 178.15 2hfi h ILE 102 N 0.29 1.22 -0.44 2.25 2.04 -0.37 0.30 117.51 122.80 2hfi h ILE 102 Ca 0.06 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.54 2hfi h ILE 102 Cb 0.60 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 2hfi h ILE 102 CO 0.03 0.21 0.27 0.74 0.00 0.00 0.00 178.15 179.40 2hfi h THR 103 N 1.12 1.06 -0.75 -0.27 2.02 -0.15 -0.68 112.91 115.26 2hfi h THR 103 Ca 0.30 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.31 2hfi h THR 103 Cb -0.12 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 66.73 2hfi h THR 103 CO -0.06 0.10 0.49 -0.33 0.37 0.00 0.00 175.52 176.08 2hfi h GLU 104 N 0.54 0.96 -0.59 6.66 4.39 0.35 0.30 114.58 127.19 2hfi h GLU 104 Ca 0.17 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.85 2hfi h GLU 104 Cb -0.01 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.38 2hfi h GLU 104 CO -0.07 0.63 0.34 1.03 -1.16 0.00 0.00 179.01 179.79 2hfi h SER 105 N 0.99 0.53 0.21 1.42 0.87 0.17 0.36 113.55 118.09 2hfi h SER 105 Ca 0.28 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2hfi h SER 105 Cb -0.07 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 2hfi h SER 105 CO -0.08 0.36 -0.10 0.58 -0.53 0.00 0.00 176.83 177.07 2hfi h VAL 106 N 0.66 0.88 -0.67 2.23 2.07 -0.65 -2.82 116.25 117.94 2hfi h VAL 106 Ca 0.25 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2hfi h VAL 106 Cb 0.08 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2hfi h VAL 106 CO -0.13 0.15 0.26 -0.07 0.02 0.00 0.00 177.57 177.80 2hfi h LEU 107 N -0.64 0.91 -0.77 2.57 3.38 -0.22 0.13 115.31 120.66 2hfi h LEU 107 Ca -0.03 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2hfi h LEU 107 Cb 0.46 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2hfi h LEU 107 CO 0.05 0.82 0.32 0.22 0.09 0.00 0.00 178.44 179.94 2hfi h TYR 108 N 0.97 1.17 -0.35 1.13 3.20 -0.36 0.41 116.97 123.15 2hfi h TYR 108 Ca 0.23 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 2hfi h TYR 108 Cb 0.20 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 2hfi h TYR 108 CO 0.02 0.88 0.09 1.15 -1.64 0.00 0.00 178.16 178.66 2hfi h THR 109 N 1.12 1.22 -0.73 1.81 2.02 -1.11 -1.54 112.91 115.70 2hfi h THR 109 Ca 0.26 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 2hfi h THR 109 Cb 0.20 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2hfi h THR 109 CO -0.02 0.25 0.38 -0.07 0.37 0.00 0.00 175.52 176.43 2hfi h LEU 110 N 0.41 0.91 -0.93 2.58 3.38 -0.14 0.08 115.31 121.61 2hfi h LEU 110 Ca 0.11 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2hfi h LEU 110 Cb 0.29 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2hfi h LEU 110 CO 0.00 0.75 0.14 0.45 0.09 0.00 0.00 178.44 179.87 2hfi h HIS 111 N 1.02 0.96 -0.37 1.13 3.86 -0.01 0.23 115.15 121.98 2hfi h HIS 111 Ca 0.26 -0.10 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 2hfi h HIS 111 Cb 0.05 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 2hfi h HIS 111 CO 0.01 0.80 0.00 0.00 0.86 0.00 0.00 177.93 179.60 2hfi h ALA 112 N 1.26 0.50 0.03 2.45 0.00 -0.22 -0.02 119.26 123.25 2hfi h ALA 112 Ca 0.19 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2hfi h ALA 112 Cb 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2hfi h ALA 112 CO 0.00 0.27 -0.01 0.28 0.00 0.00 0.00 179.25 179.78 2hfi h VAL 113 N 0.47 1.16 -0.81 0.00 2.07 -0.79 -2.35 116.25 116.00 2hfi h VAL 113 Ca 0.10 -0.59 0.10 0.00 0.82 0.00 0.00 66.70 67.14 2hfi h VAL 113 Cb 0.46 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.71 2hfi h VAL 113 CO 0.02 0.15 0.45 0.50 0.02 0.00 0.00 177.57 178.71 2hfi h LYS 114 N -0.29 0.71 0.12 1.57 3.64 -0.50 0.21 116.57 122.02 2hfi h LYS 114 Ca -0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2hfi h LYS 114 Cb 0.27 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2hfi h LYS 114 CO 0.01 0.47 -0.06 0.22 -2.27 0.00 0.00 179.45 177.82 2hfi h ASP 115 N 0.73 -0.13 0.17 4.20 3.58 -0.87 0.31 116.42 124.41 2hfi h ASP 115 Ca 0.40 -0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.71 2hfi h ASP 115 Cb 0.42 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2hfi h ASP 115 CO -0.27 -0.05 -0.37 -0.33 -2.88 0.00 0.00 179.24 175.33 2hfi h GLU 116 N -0.20 0.28 0.07 0.28 5.08 -0.91 -0.14 114.58 119.04 2hfi h GLU 116 Ca -0.02 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2hfi h GLU 116 Cb 0.16 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2hfi h GLU 116 CO 0.03 0.62 -0.03 0.82 -1.00 0.00 0.00 179.01 179.44 2hfi h ILE 117 N 0.24 1.03 0.00 3.13 2.04 -0.36 0.61 117.51 124.20 2hfi h ILE 117 Ca 0.03 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2hfi h ILE 117 Cb 0.77 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2hfi h ILE 117 CO 0.06 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.29 2hfi n ALA 118 N -2.21 1.79 1.01 1.87 0.00 0.08 -1.62 120.51 121.43 2hfi n ALA 118 Ca -0.08 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.41 2hfi n ALA 118 Cb 0.13 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.49 0.53 0.31 0.00 0.63 -0.08 -4.46 116.66 112.10 2hfi n ARG 119 Ca 0.04 -0.44 -0.13 0.00 -0.92 0.00 0.00 57.85 56.41 2hfi n ARG 119 Cb 0.20 -1.49 -0.06 0.00 0.45 0.00 0.00 32.46 31.56 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 1.06 -0.79 -5.71 -0.14 4.39 0.09 -3.47 114.58 110.01 2hfi h GLU 120 Ca 0.00 0.05 -0.48 0.00 0.34 0.00 0.00 59.36 59.27 2hfi h GLU 120 Cb 0.61 0.18 -0.15 0.00 -0.10 0.00 0.00 28.75 29.29 2hfi h GLU 120 CO 0.00 -0.53 -0.75 0.34 -1.16 0.00 0.00 179.01 176.91 2hfi s ASP 121 N -4.01 2.68 0.20 1.42 2.15 -1.26 -5.12 116.67 112.74 2hfi s ASP 121 Ca -0.12 -0.98 0.06 0.00 0.43 0.00 0.00 52.55 51.94 2hfi s ASP 121 Cb 0.01 -0.16 -0.05 0.00 -0.30 0.00 0.00 42.92 42.43 2hfi s ASP 121 CO 0.36 -0.12 -0.10 -0.44 -0.17 0.00 0.00 175.17 174.71 2hfi s SER 122 N -3.16 2.23 0.00 -0.34 0.01 -1.26 -4.88 113.70 106.30 2hfi s SER 122 Ca 0.21 -1.07 0.28 0.00 1.31 0.00 0.00 55.95 56.68 2hfi s SER 122 Cb -0.02 -0.08 1.67 0.00 0.21 0.00 0.00 66.02 67.80 2hfi s SER 122 CO 0.07 -0.30 2.01 -1.14 0.41 0.00 0.00 173.24 174.30