#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfi n LEU 2 N 0.00 -1.24 -1.35 3.17 4.32 -1.26 -4.70 117.00 115.94 2hfi n LEU 2 Ca 0.00 1.08 -0.07 0.00 -0.02 0.00 0.00 56.01 57.00 2hfi n LEU 2 Cb 0.00 -0.44 0.07 0.00 -1.62 0.00 0.00 43.42 41.43 2hfi n LEU 2 CO 0.00 0.05 0.72 -1.20 -1.22 0.00 0.00 177.39 175.75 2hfi n SER 3 N -1.19 3.17 -4.61 -1.43 7.64 -1.26 -4.78 113.62 111.15 2hfi n SER 3 Ca 0.00 -2.50 -0.43 0.00 1.01 0.00 0.00 58.87 56.95 2hfi n SER 3 Cb 0.04 -0.61 -0.02 0.00 -1.01 0.00 0.00 64.21 62.61 2hfi n SER 3 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2hfi s GLN 4 N -1.15 3.84 -1.21 1.43 -0.21 -1.26 -4.93 119.66 116.16 2hfi s GLN 4 Ca 0.19 0.72 -0.22 0.00 0.02 0.00 0.00 55.36 56.07 2hfi s GLN 4 Cb 0.16 -3.85 -0.05 0.00 1.00 0.00 0.00 33.01 30.26 2hfi s GLN 4 CO 0.04 -1.21 1.89 2.41 -2.12 0.00 0.00 175.29 176.30 2hfi n THR 5 N 6.49 2.39 0.00 -0.19 -1.04 -1.26 -1.64 114.28 119.02 2hfi n THR 5 Ca 0.12 -2.48 0.00 0.00 -2.04 0.00 0.00 64.05 59.65 2hfi n THR 5 Cb 0.48 -2.21 0.00 0.00 -1.82 0.00 0.00 70.33 66.78 2hfi n THR 5 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2hfi n LEU 6 N 12.94 0.00 0.08 -4.42 7.94 -1.26 -4.98 117.00 127.31 2hfi n LEU 6 Ca 0.46 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 55.18 2hfi n LEU 6 Cb 0.46 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.31 2hfi n LEU 6 CO 0.70 0.00 0.03 0.25 -1.11 0.00 0.00 177.39 177.26 2hfi h LEU 7 N 0.00 0.67 -0.59 -1.96 5.85 -1.68 -2.45 115.31 115.15 2hfi h LEU 7 Ca 0.00 -0.61 -0.14 0.00 0.84 0.00 0.00 57.88 57.97 2hfi h LEU 7 Cb 0.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2hfi h LEU 7 CO 0.00 1.43 -0.40 1.05 -0.34 0.00 0.00 178.44 180.18 2hfi h GLU 8 N 0.23 0.68 -0.65 1.25 -0.00 -1.86 0.27 114.58 114.50 2hfi h GLU 8 Ca -0.14 -0.35 -0.02 0.00 -0.00 0.00 0.00 59.36 58.86 2hfi h GLU 8 Cb 1.80 0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 30.53 2hfi h GLU 8 CO 0.20 0.95 0.34 1.98 -0.00 0.00 0.00 179.01 182.49 2hfi h MET 9 N 0.56 0.90 -0.21 1.06 4.05 -1.87 0.30 114.93 119.71 2hfi h MET 9 Ca 0.05 -0.10 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 2hfi h MET 9 Cb 0.92 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 2hfi h MET 9 CO 0.08 0.68 -0.02 1.15 0.23 0.00 0.00 176.91 179.03 2hfi h THR 10 N 0.91 1.27 -0.74 -0.77 2.02 -0.84 -1.61 112.91 113.14 2hfi h THR 10 Ca 0.23 -0.94 0.04 0.00 0.77 0.00 0.00 66.41 66.51 2hfi h THR 10 Cb 0.05 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 2hfi h THR 10 CO -0.03 0.29 0.49 -0.33 0.37 0.00 0.00 175.52 176.30 2hfi h GLU 11 N 0.14 0.85 -0.19 6.66 5.08 -0.01 0.10 114.58 127.20 2hfi h GLU 11 Ca 0.06 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2hfi h GLU 11 Cb 0.44 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2hfi h GLU 11 CO 0.01 0.56 0.11 0.37 -1.00 0.00 0.00 179.01 179.07 2hfi h GLN 12 N 0.87 0.26 -0.92 2.33 4.15 -0.21 0.23 115.11 121.83 2hfi h GLN 12 Ca 0.30 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 2hfi h GLN 12 Cb 0.11 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 2hfi h GLN 12 CO -0.09 0.23 0.53 1.98 -1.93 0.00 0.00 178.83 179.54 2hfi h MET 13 N 0.22 1.27 -0.45 1.69 4.05 -0.29 -0.63 114.93 120.80 2hfi h MET 13 Ca 0.07 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.32 2hfi h MET 13 Cb 0.03 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.56 2hfi h MET 13 CO -0.01 0.91 0.15 0.82 0.23 0.00 0.00 176.91 179.00 2hfi h ILE 14 N 1.28 1.22 -0.74 1.77 2.04 -0.55 -1.58 117.51 120.95 2hfi h ILE 14 Ca 0.33 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.48 2hfi h ILE 14 Cb -0.01 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 2hfi h ILE 14 CO -0.06 0.26 0.48 -0.08 0.00 0.00 0.00 178.15 178.76 2hfi h GLU 15 N 0.59 0.98 -0.42 2.37 4.81 0.06 0.24 114.58 123.20 2hfi h GLU 15 Ca 0.15 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2hfi h GLU 15 Cb 0.25 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2hfi h GLU 15 CO -0.01 0.65 0.15 0.28 -0.73 0.00 0.00 179.01 179.36 2hfi h VAL 16 N 1.00 1.21 -0.14 0.32 2.07 -0.97 0.38 116.25 120.13 2hfi h VAL 16 Ca 0.27 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2hfi h VAL 16 Cb -0.11 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2hfi h VAL 16 CO -0.06 0.24 0.05 0.00 0.02 0.00 0.00 177.57 177.82 2hfi h ALA 17 N 1.00 0.18 0.13 1.67 0.00 -0.70 0.29 119.26 121.83 2hfi h ALA 17 Ca 0.14 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2hfi h ALA 17 Cb 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2hfi h ALA 17 CO -0.01 -0.21 -0.18 0.93 0.00 0.00 0.00 179.25 179.77 2hfi h GLU 18 N 0.05 -0.36 0.00 0.00 4.39 -0.48 -1.70 114.58 116.48 2hfi h GLU 18 Ca 0.04 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 2hfi h GLU 18 Cb 0.20 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2hfi h GLU 18 CO -0.00 -0.24 -0.20 -0.22 -1.16 0.00 0.00 179.01 177.19 2hfi h LYS 19 N -0.37 0.00 -0.35 2.33 1.63 -0.85 0.63 116.57 119.58 2hfi h LYS 19 Ca 0.02 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.77 2hfi h LYS 19 Cb 0.37 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 2hfi h LYS 19 CO -0.08 0.20 0.04 0.78 -3.45 0.00 0.00 179.45 176.94 2hfi h GLY 20 N 1.61 0.64 1.26 5.01 0.00 0.02 0.30 103.07 111.91 2hfi h GLY 20 Ca -0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.74 2hfi h GLY 20 CO 0.03 0.41 -0.35 0.00 0.00 0.00 0.00 176.54 176.63 2hfi h ALA 21 N 0.89 0.71 -0.71 3.60 0.00 -0.77 -1.83 119.26 121.15 2hfi h ALA 21 Ca 0.10 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2hfi h ALA 21 Cb 0.39 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2hfi h ALA 21 CO 0.01 0.66 0.47 0.22 0.00 0.00 0.00 179.25 180.61 2hfi h ASP 22 N 0.69 0.81 -0.45 0.00 3.58 -0.76 0.50 116.42 120.79 2hfi h ASP 22 Ca 0.07 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 2hfi h ASP 22 Cb 0.90 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 2hfi h ASP 22 CO 0.08 0.59 0.21 -0.09 -2.88 0.00 0.00 179.24 177.15 2hfi h ARG 23 N 0.96 0.66 -0.31 0.28 9.65 -0.25 -0.91 114.38 124.45 2hfi h ARG 23 Ca 0.26 -0.10 -0.08 0.00 -1.10 0.00 0.00 59.98 58.96 2hfi h ARG 23 Cb -0.11 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.34 2hfi h ARG 23 CO -0.06 0.57 -0.13 -0.92 2.80 0.00 0.00 179.97 182.24 2hfi h TYR 24 N 0.59 0.57 -0.18 2.20 3.20 -0.97 0.27 116.97 122.66 2hfi h TYR 24 Ca 0.15 -0.09 -0.14 0.00 3.14 0.00 0.00 58.73 61.79 2hfi h TYR 24 Cb 0.14 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2hfi h TYR 24 CO -0.01 0.64 -0.47 0.37 -1.64 0.00 0.00 178.16 177.05 2hfi h GLN 25 N 0.49 0.45 0.29 1.82 4.15 -0.57 -3.28 115.11 118.46 2hfi h GLN 25 Ca 0.09 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 2hfi h GLN 25 Cb 0.52 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2hfi h GLN 25 CO 0.03 0.83 -0.14 1.49 -1.93 0.00 0.00 178.83 179.12 2hfi h GLU 26 N 0.36 -0.38 0.00 1.69 4.57 -0.73 -3.51 114.58 116.58 2hfi h GLU 26 Ca 0.02 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2hfi h GLU 26 Cb 0.97 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 2hfi h GLU 26 CO 0.08 -0.25 0.00 0.41 -1.18 0.00 0.00 179.01 178.07 2hfi n GLY 27 N 0.79 0.29 3.87 1.92 0.00 0.93 -5.10 105.19 107.89 2hfi n GLY 27 Ca -0.05 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 2hfi n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hfi s LYS 28 N -1.32 3.86 0.04 1.61 -2.85 -1.26 -4.65 119.74 115.17 2hfi s LYS 28 Ca 0.00 0.44 0.03 0.00 -1.00 0.00 0.00 55.97 55.43 2hfi s LYS 28 Cb 0.00 -2.51 -0.02 0.00 -2.06 0.00 0.00 37.83 33.24 2hfi s LYS 28 CO 0.00 0.17 -0.09 1.21 0.10 0.00 0.00 175.35 176.74 2hfi s ASN 29 N -2.57 1.04 0.09 0.03 2.47 -1.26 -5.04 114.94 109.69 2hfi s ASN 29 Ca 0.50 -0.50 0.00 0.00 0.42 0.00 0.00 52.86 53.29 2hfi s ASN 29 Cb -0.11 -0.00 0.00 0.00 -1.45 0.00 0.00 41.25 39.69 2hfi s ASN 29 CO 0.23 -0.13 0.00 -1.20 -3.72 0.00 0.00 177.10 172.28 2hfi n SER 30 N 1.65 -4.53 -0.00 -4.21 7.64 -1.26 -4.91 113.62 107.99 2hfi n SER 30 Ca -0.21 0.49 0.08 0.00 1.01 0.00 0.00 58.87 60.24 2hfi n SER 30 Cb 0.55 -2.19 -0.11 0.00 -1.01 0.00 0.00 64.21 61.45 2hfi n SER 30 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2hfi n ASN 31 N 0.51 1.00 -4.51 6.43 0.23 -1.26 -4.58 115.26 113.08 2hfi n ASN 31 Ca 0.00 -0.40 -0.30 0.00 -0.53 0.00 0.00 54.58 53.35 2hfi n ASN 31 Cb 0.00 1.41 -0.11 0.00 -2.08 0.00 0.00 39.78 39.00 2hfi n ASN 31 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 2hfi s HIS 32 N -2.87 2.59 0.00 -2.53 3.76 -1.26 -4.62 115.29 110.36 2hfi s HIS 32 Ca -0.01 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 2hfi s HIS 32 Cb 0.11 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 32.43 2hfi s HIS 32 CO 0.68 0.39 0.00 0.45 -0.85 0.00 0.00 174.74 175.40 2hfi n SER 33 N 0.84 0.00 -4.39 1.40 2.88 -1.26 -4.84 113.62 108.25 2hfi n SER 33 Ca -0.15 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.03 2hfi n SER 33 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 2hfi n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hfi n TYR 34 N 0.00 3.31 -2.99 0.66 9.36 -1.26 -4.48 117.16 121.76 2hfi n TYR 34 Ca 0.00 -2.07 0.02 0.00 3.32 0.00 0.00 57.90 59.17 2hfi n TYR 34 Cb 0.00 -2.50 -0.00 0.00 -0.63 0.00 0.00 39.34 36.21 2hfi n TYR 34 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2hfi s ASP 35 N 5.29 -0.84 0.00 2.98 2.15 -1.26 -4.90 116.67 120.08 2hfi s ASP 35 Ca 0.61 -0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.26 2hfi s ASP 35 Cb 0.04 1.15 0.00 0.00 -0.30 0.00 0.00 42.92 43.81 2hfi s ASP 35 CO 0.10 -0.10 0.00 0.33 -0.17 0.00 0.00 175.17 175.32 2hfi n PHE 36 N 4.22 0.00 -1.96 -5.34 7.35 -1.26 -4.84 117.46 115.63 2hfi n PHE 36 Ca 0.08 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.47 2hfi n PHE 36 Cb 0.60 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.48 2hfi n PHE 36 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 2hfi s PHE 37 N 0.00 3.26 0.00 -5.13 0.08 -1.26 -1.31 117.98 113.61 2hfi s PHE 37 Ca 0.00 0.94 0.00 0.00 0.12 0.00 0.00 56.93 57.99 2hfi s PHE 37 Cb 0.00 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.36 2hfi s PHE 37 CO 0.00 -1.22 0.00 -1.91 -0.10 0.00 0.00 175.22 171.99 2hfi n GLU 38 N -2.99 0.00 -0.05 0.44 2.13 -1.26 -4.34 120.64 114.56 2hfi n GLU 38 Ca 0.07 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.84 2hfi n GLU 38 Cb 0.58 -0.22 -0.02 0.00 0.27 0.00 0.00 31.44 32.05 2hfi n GLU 38 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2hfi n THR 39 N 0.00 0.91 -1.59 6.31 -2.24 -1.25 -4.56 114.28 111.85 2hfi n THR 39 Ca 0.00 0.29 -0.37 0.00 -2.27 0.00 0.00 64.05 61.70 2hfi n THR 39 Cb 0.00 -2.02 -0.03 0.00 -2.10 0.00 0.00 70.33 66.18 2hfi n THR 39 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2hfi n ILE 40 N -3.70 4.56 0.06 2.28 -0.00 -0.43 -3.85 119.36 118.29 2hfi n ILE 40 Ca -0.08 -3.28 0.00 0.00 -0.00 0.00 0.00 62.75 59.39 2hfi n ILE 40 Cb 0.30 -2.27 0.00 0.00 -0.00 0.00 0.00 39.64 37.67 2hfi n ILE 40 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2hfi n LYS 41 N 2.52 0.00 -0.16 0.38 4.76 -1.26 -4.77 118.16 119.62 2hfi n LYS 41 Ca 0.67 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 56.00 2hfi n LYS 41 Cb 0.31 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.50 2hfi n LYS 41 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2hfi h PRO 42 N 0.00 1.00 -0.63 1.97 0.13 -1.80 -2.30 132.00 130.37 2hfi h PRO 42 Ca 0.00 -0.42 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 2hfi h PRO 42 Cb 0.00 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.06 2hfi h PRO 42 CO 0.00 1.10 0.28 0.00 -0.23 0.00 0.00 178.00 179.15 2hfi h ALA 43 N 0.88 0.82 -0.75 -0.56 0.00 -1.89 -0.52 119.26 117.23 2hfi h ALA 43 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2hfi h ALA 43 Cb 0.78 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2hfi h ALA 43 CO 0.06 0.40 0.41 0.28 0.00 0.00 0.00 179.25 180.40 2hfi h VAL 44 N 0.88 1.23 0.00 0.00 2.07 -1.75 0.26 116.25 118.94 2hfi h VAL 44 Ca 0.21 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 2hfi h VAL 44 Cb 0.15 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2hfi h VAL 44 CO -0.02 0.26 -0.00 -0.33 0.02 0.00 0.00 177.57 177.49 2hfi h GLU 45 N 1.04 -0.00 0.94 1.57 5.08 -1.14 -2.13 114.58 119.93 2hfi h GLU 45 Ca 0.26 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 2hfi h GLU 45 Cb 0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.31 2hfi h GLU 45 CO -0.04 0.22 -0.45 1.49 -1.00 0.00 0.00 179.01 179.23 2hfi h GLU 46 N -0.22 -1.22 0.00 2.33 4.57 -0.75 -2.81 114.58 116.48 2hfi h GLU 46 Ca -0.00 0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2hfi h GLU 46 Cb 0.22 0.28 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2hfi h GLU 46 CO 0.00 -0.81 -0.08 -0.91 -1.18 0.00 0.00 179.01 176.03 2hfi h ASN 47 N -1.33 0.00 0.37 1.04 4.21 -0.59 0.29 115.58 119.57 2hfi h ASN 47 Ca -0.13 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.36 2hfi h ASN 47 Cb 0.97 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.17 2hfi h ASN 47 CO 0.21 0.08 -0.18 -0.78 -1.29 0.00 0.00 177.43 175.48 2hfi h ASP 48 N 0.00 -0.42 -0.24 5.81 1.82 -1.31 0.43 116.42 122.50 2hfi h ASP 48 Ca -0.00 -0.13 -0.03 0.00 -0.39 0.00 0.00 57.03 56.47 2hfi h ASP 48 Cb 0.19 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 2hfi h ASP 48 CO 0.01 -0.07 0.06 -0.33 -1.61 0.00 0.00 179.24 177.30 2hfi h GLU 49 N -0.83 0.48 0.23 0.28 5.08 -1.18 0.22 114.58 118.87 2hfi h GLU 49 Ca -0.05 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2hfi h GLU 49 Cb 0.53 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2hfi h GLU 49 CO 0.08 0.46 -0.11 1.25 -1.00 0.00 0.00 179.01 179.70 2hfi h LEU 50 N 0.47 -0.26 -0.93 1.33 5.85 -0.35 0.11 115.31 121.54 2hfi h LEU 50 Ca 0.11 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2hfi h LEU 50 Cb 0.22 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2hfi h LEU 50 CO -0.00 -0.12 -0.35 0.00 -0.34 0.00 0.00 178.44 177.63 2hfi h ALA 51 N 0.37 0.99 0.32 1.25 0.00 -0.61 -0.91 119.26 120.67 2hfi h ALA 51 Ca -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2hfi h ALA 51 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2hfi h ALA 51 CO 0.05 0.44 -0.15 0.00 0.00 0.00 0.00 179.25 179.58 2hfi h ALA 52 N 1.65 -0.43 -0.85 0.00 0.00 -0.26 0.32 119.26 119.68 2hfi h ALA 52 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2hfi h ALA 52 Cb 0.89 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2hfi h ALA 52 CO 0.05 -0.57 0.57 -0.09 0.00 0.00 0.00 179.25 179.20 2hfi h ARG 53 N -0.79 1.10 0.22 0.00 1.12 -0.74 0.26 114.38 115.55 2hfi h ARG 53 Ca -0.04 -0.07 -0.01 0.00 -1.11 0.00 0.00 59.98 58.75 2hfi h ARG 53 Cb 0.51 -0.25 0.00 0.00 -0.01 0.00 0.00 29.97 30.23 2hfi h ARG 53 CO 0.07 0.73 -0.10 2.35 -3.11 0.00 0.00 179.97 179.91 2hfi h TRP 54 N 1.13 -0.27 -0.59 2.20 7.01 -1.12 -1.97 115.95 122.34 2hfi h TRP 54 Ca 0.32 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.31 2hfi h TRP 54 Cb -0.09 0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.03 2hfi h TRP 54 CO -0.00 -0.03 0.37 0.00 -2.79 0.00 0.00 178.44 175.99 2hfi h ALA 55 N 0.27 0.75 -0.94 2.65 0.00 0.08 0.95 119.26 123.02 2hfi h ALA 55 Ca -0.03 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2hfi h ALA 55 Cb 0.36 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 2hfi h ALA 55 CO 0.05 0.21 0.61 0.93 0.00 0.00 0.00 179.25 181.05 2hfi h GLU 56 N 0.80 1.12 -0.03 0.00 5.08 -0.48 0.37 114.58 121.44 2hfi h GLU 56 Ca 0.21 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2hfi h GLU 56 Cb -0.05 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 28.94 2hfi h GLU 56 CO -0.04 0.74 -0.13 0.78 -1.00 0.00 0.00 179.01 179.35 2hfi h GLY 57 N 1.15 0.16 1.04 -3.84 0.00 -0.72 -2.34 103.07 98.52 2hfi h GLY 57 Ca 0.38 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.43 2hfi h GLY 57 CO -0.12 0.20 0.17 0.00 0.00 0.00 0.00 176.54 176.78 2hfi h ALA 58 N 0.38 0.86 -0.56 3.60 0.00 -0.56 -2.02 119.26 120.96 2hfi h ALA 58 Ca -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2hfi h ALA 58 Cb 0.79 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2hfi h ALA 58 CO 0.03 0.57 0.10 -0.07 0.00 0.00 0.00 179.25 179.87 2hfi h LEU 59 N 0.96 0.83 -0.85 0.00 3.38 -0.36 -2.41 115.31 116.86 2hfi h LEU 59 Ca 0.20 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2hfi h LEU 59 Cb 0.35 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2hfi h LEU 59 CO 0.00 0.84 0.41 -0.08 0.09 0.00 0.00 178.44 179.70 2hfi h GLU 60 N 0.84 1.23 -0.10 1.13 4.57 -0.98 0.38 114.58 121.65 2hfi h GLU 60 Ca 0.18 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2hfi h GLU 60 Cb 0.36 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2hfi h GLU 60 CO 0.01 0.94 0.05 1.25 -1.18 0.00 0.00 179.01 180.08 2hfi h LEU 61 N 1.22 0.13 -0.03 1.64 5.85 -0.96 -0.88 115.31 122.26 2hfi h LEU 61 Ca 0.29 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2hfi h LEU 61 Cb 0.12 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2hfi h LEU 61 CO -0.04 0.19 0.00 2.30 -0.34 0.00 0.00 178.44 180.56 2hfi n ILE 62 N -4.96 0.30 0.12 4.05 -5.35 -0.94 -0.28 119.36 112.29 2hfi n ILE 62 Ca -0.05 -0.03 -0.24 0.00 -0.27 0.00 0.00 62.75 62.16 2hfi n ILE 62 Cb 0.08 -0.61 -0.16 0.00 -1.74 0.00 0.00 39.64 37.21 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 0.48 0.06 6.28 3.64 -0.53 -3.39 116.57 123.11 2hfi h LYS 63 Ca 0.00 -0.82 -0.26 0.00 -1.27 0.00 0.00 60.65 58.30 2hfi h LYS 63 Cb 0.52 0.31 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 2hfi h LYS 63 CO 0.00 1.39 -1.37 0.28 -2.27 0.00 0.00 179.45 177.48 2hfi h VAL 64 N 0.13 0.96 -3.63 2.00 2.07 -1.00 -3.49 116.25 113.28 2hfi h VAL 64 Ca -0.28 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 64.94 2hfi h VAL 64 Cb 2.14 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 34.43 2hfi h VAL 64 CO 0.24 0.58 0.00 0.54 0.02 0.00 0.00 177.57 178.95 2hfi n ARG 65 N -4.09 2.48 -4.07 1.57 1.74 0.61 -5.10 116.66 109.80 2hfi n ARG 65 Ca -0.28 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.45 2hfi n ARG 65 Cb 0.81 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 32.16 2hfi n ARG 65 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2hfi s ARG 66 N -0.71 3.76 0.17 5.56 3.00 -1.26 -4.36 118.95 125.11 2hfi s ARG 66 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 55.73 55.09 2hfi s ARG 66 Cb 0.00 -3.13 -0.08 0.00 0.00 0.00 0.00 34.95 31.74 2hfi s ARG 66 CO 0.00 0.39 1.23 -1.25 0.00 0.00 0.00 175.30 175.67 2hfi s PRO 67 N 0.03 4.46 -0.22 3.54 0.04 -1.26 -4.93 135.00 136.66 2hfi s PRO 67 Ca 0.05 1.91 0.10 0.00 0.04 0.00 0.00 61.00 63.11 2hfi s PRO 67 Cb -0.12 -3.24 -0.21 0.00 0.04 0.00 0.00 34.50 30.97 2hfi s PRO 67 CO 0.01 -0.15 -0.07 1.63 0.04 0.00 0.00 177.00 178.46 2hfi n LYS 68 N 2.71 0.72 -0.03 4.56 5.02 -1.26 -4.76 118.16 125.11 2hfi n LYS 68 Ca 0.05 0.06 -0.06 0.00 -2.02 0.00 0.00 58.31 56.35 2hfi n LYS 68 Cb 0.44 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 2hfi n LYS 68 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2hfi n TYR 69 N -2.97 0.00 -2.84 2.13 4.01 -1.26 -5.08 117.16 111.15 2hfi n TYR 69 Ca -0.38 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.14 2hfi n TYR 69 Cb 1.06 -0.24 0.02 0.00 -0.31 0.00 0.00 39.34 39.87 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 -2.12 3.36 0.49 -0.72 0.11 -1.26 -5.03 120.40 115.22 2hfi s VAL 70 Ca -0.09 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 2hfi s VAL 70 Cb 0.03 -3.25 -0.02 0.00 -1.53 0.00 0.00 36.38 31.62 2hfi s VAL 70 CO 0.13 -0.17 0.03 -1.00 -3.33 0.00 0.00 175.10 170.76 2hfi s HIS 71 N -2.64 1.88 0.00 1.54 3.76 -1.26 -4.72 115.29 113.86 2hfi s HIS 71 Ca 0.53 -1.01 -0.25 0.00 -0.15 0.00 0.00 55.06 54.18 2hfi s HIS 71 Cb -0.10 -1.53 -0.15 0.00 1.11 0.00 0.00 32.58 31.91 2hfi s HIS 71 CO 0.38 0.14 1.10 0.87 -0.85 0.00 0.00 174.74 176.38 2hfi h LYS 72 N 1.46 -0.66 -0.42 1.40 1.57 -2.00 -3.22 116.57 114.70 2hfi h LYS 72 Ca -0.42 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 2hfi h LYS 72 Cb 1.30 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 2hfi h LYS 72 CO 0.71 -0.36 0.24 0.93 -0.57 0.00 0.00 179.45 180.39 2hfi h GLU 73 N -1.04 0.56 0.01 3.15 3.07 -1.99 -2.37 114.58 115.97 2hfi h GLU 73 Ca -0.07 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.77 2hfi h GLU 73 Cb 0.61 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.36 2hfi h GLU 73 CO 0.12 0.41 -0.21 1.96 -1.40 0.00 0.00 179.01 179.88 2hfi h GLN 74 N 0.57 -0.34 -0.91 2.33 1.08 -1.98 0.17 115.11 116.03 2hfi h GLN 74 Ca 0.15 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.39 2hfi h GLN 74 Cb 0.00 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.46 2hfi h GLN 74 CO -0.03 -0.22 0.60 0.82 -0.95 0.00 0.00 178.83 179.05 2hfi h ILE 75 N -0.35 1.22 0.03 2.54 2.04 -1.44 0.20 117.51 121.75 2hfi h ILE 75 Ca 0.06 -0.42 -0.22 0.00 1.00 0.00 0.00 64.86 65.28 2hfi h ILE 75 Cb 0.42 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2hfi h ILE 75 CO -0.19 0.22 -0.97 -0.33 0.00 0.00 0.00 178.15 176.88 2hfi h GLU 76 N 1.22 0.26 0.00 2.37 5.08 -1.35 -3.13 114.58 119.03 2hfi h GLU 76 Ca 0.34 -0.32 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 2hfi h GLU 76 Cb -0.11 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2hfi h GLU 76 CO -0.08 1.05 -0.71 0.00 -1.00 0.00 0.00 179.01 178.26 2hfi h ALA 77 N 0.83 0.80 -0.84 3.43 0.00 -0.08 -3.21 119.26 120.19 2hfi h ALA 77 Ca -0.07 -0.65 0.07 0.00 0.00 0.00 0.00 54.91 54.26 2hfi h ALA 77 Cb 1.62 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 2hfi h ALA 77 CO 0.16 0.89 0.51 0.28 0.00 0.00 0.00 179.25 181.09 2hfi h VAL 78 N 0.00 1.00 -0.16 0.00 2.07 -0.56 -0.60 116.25 118.01 2hfi h VAL 78 Ca -0.01 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.22 2hfi h VAL 78 Cb 1.28 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2hfi h VAL 78 CO 0.09 0.17 0.04 0.50 0.02 0.00 0.00 177.57 178.39 2hfi h LYS 79 N 0.91 0.11 -0.46 1.57 3.64 -1.60 0.52 116.57 121.26 2hfi h LYS 79 Ca 0.38 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 2hfi h LYS 79 Cb 0.22 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2hfi h LYS 79 CO -0.19 0.08 0.04 0.22 -2.27 0.00 0.00 179.45 177.33 2hfi h ASP 80 N 0.12 0.68 0.31 4.20 3.58 -1.55 -1.03 116.42 122.73 2hfi h ASP 80 Ca 0.07 -0.14 -0.22 0.00 0.42 0.00 0.00 57.03 57.16 2hfi h ASP 80 Cb 0.05 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2hfi h ASP 80 CO -0.08 0.73 -0.88 0.78 -2.88 0.00 0.00 179.24 176.90 2hfi h ASN 81 N 0.69 0.53 -0.09 2.28 2.35 -0.69 -2.71 115.58 117.94 2hfi h ASN 81 Ca 0.14 -0.40 -0.13 0.00 -0.55 0.00 0.00 56.30 55.36 2hfi h ASN 81 Cb 0.36 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2hfi h ASN 81 CO 0.01 1.19 -0.39 0.15 -1.65 0.00 0.00 177.43 176.73 2hfi h PHE 82 N 0.25 0.72 -0.64 1.19 3.57 0.43 0.26 116.94 122.72 2hfi h PHE 82 Ca -0.07 -0.21 -0.05 0.00 3.53 0.00 0.00 57.97 61.18 2hfi h PHE 82 Cb 1.51 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 40.06 2hfi h PHE 82 CO 0.06 0.91 0.21 -0.07 -2.23 0.00 0.00 178.31 177.18 2hfi h LEU 83 N 0.50 0.93 -0.64 0.59 3.38 -1.22 -1.97 115.31 116.88 2hfi h LEU 83 Ca 0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2hfi h LEU 83 Cb 0.90 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2hfi h LEU 83 CO 0.08 0.88 0.26 -0.08 0.09 0.00 0.00 178.44 179.67 2hfi h GLU 84 N 0.93 0.95 -0.61 1.13 4.57 -1.12 -2.44 114.58 117.99 2hfi h GLU 84 Ca 0.21 -0.17 0.09 0.00 -1.18 0.00 0.00 59.36 58.30 2hfi h GLU 84 Cb 0.28 -0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.65 2hfi h GLU 84 CO -0.01 0.80 0.25 1.25 -1.18 0.00 0.00 179.01 180.12 2hfi h LEU 85 N 0.90 0.29 -0.35 1.64 6.46 -0.05 0.32 115.31 124.52 2hfi h LEU 85 Ca 0.21 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 58.03 2hfi h LEU 85 Cb 0.20 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 2hfi h LEU 85 CO -0.02 0.17 0.16 0.58 -0.62 0.00 0.00 178.44 178.72 2hfi h VAL 86 N 0.45 1.17 -0.03 1.05 2.07 -1.22 -2.10 116.25 117.64 2hfi h VAL 86 Ca 0.30 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2hfi h VAL 86 Cb 0.34 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2hfi h VAL 86 CO -0.28 0.18 0.01 0.25 0.02 0.00 0.00 177.57 177.75 2hfi h LEU 87 N 0.42 0.04 -1.93 2.57 5.85 -0.76 -2.74 115.31 118.76 2hfi h LEU 87 Ca 0.12 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2hfi h LEU 87 Cb 0.13 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 2hfi h LEU 87 CO -0.01 0.24 -0.09 0.06 -0.34 0.00 0.00 178.44 178.29 2hfi h GLN 88 N -0.16 0.00 0.00 1.25 3.07 -0.42 0.44 115.11 119.30 2hfi h GLN 88 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.67 2hfi h GLN 88 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.76 2hfi h GLN 88 CO -0.00 0.09 -0.36 1.03 0.09 0.00 0.00 178.83 179.68 2hfi h SER 89 N 0.00 0.00 0.00 0.06 0.87 -1.07 -0.85 113.55 112.56 2hfi h SER 89 Ca -0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 2hfi h SER 89 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2hfi h SER 89 CO 0.01 0.36 -1.07 -1.22 -0.53 0.00 0.00 176.83 174.38 2hfi n TYR 90 N -4.02 0.41 0.52 2.24 4.01 -0.33 -4.60 117.16 115.38 2hfi n TYR 90 Ca -0.02 0.18 0.12 0.00 -0.16 0.00 0.00 57.90 58.03 2hfi n TYR 90 Cb 0.41 -0.72 0.25 0.00 -0.31 0.00 0.00 39.34 38.97 2hfi n TYR 90 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 2hfi h VAL 91 N -1.00 0.00 -3.24 -0.72 -1.51 -1.11 -3.47 116.25 105.20 2hfi h VAL 91 Ca -0.13 -0.58 -0.41 0.00 -1.23 0.00 0.00 66.70 64.35 2hfi h VAL 91 Cb 0.95 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 2hfi h VAL 91 CO -0.08 0.00 -0.53 1.41 -1.23 0.00 0.00 177.57 177.14 2hfi n HIS 92 N -2.32 -1.14 0.03 5.19 8.25 -0.32 -4.84 115.22 120.05 2hfi n HIS 92 Ca 0.04 0.06 -0.04 0.00 -0.26 0.00 0.00 57.72 57.52 2hfi n HIS 92 Cb 0.45 -3.98 0.02 0.00 1.12 0.00 0.00 29.99 27.60 2hfi n HIS 92 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2hfi n HIS 93 N -4.04 0.41 -0.78 4.41 1.44 -1.26 -3.19 115.22 112.21 2hfi n HIS 93 Ca -0.23 -0.98 0.02 0.00 -2.01 0.00 0.00 57.72 54.52 2hfi n HIS 93 Cb 0.68 -0.49 0.02 0.00 0.12 0.00 0.00 29.99 30.32 2hfi n HIS 93 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 2hfi n ILE 94 N 0.75 0.70 0.00 0.61 -6.64 -1.26 -5.05 119.36 108.46 2hfi n ILE 94 Ca 0.08 -0.76 0.00 0.00 -1.77 0.00 0.00 62.75 60.30 2hfi n ILE 94 Cb 0.59 0.53 0.00 0.00 -1.44 0.00 0.00 39.64 39.32 2hfi n ILE 94 CO 0.00 0.00 0.00 1.57 -1.77 0.00 0.00 176.55 176.35 2hfi n HIS 95 N -0.43 0.00 0.11 4.28 -0.00 -1.19 -3.75 115.22 114.23 2hfi n HIS 95 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2hfi n HIS 95 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 2hfi n HIS 95 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2hfi n LYS 96 N 0.00 0.00 -0.17 1.57 0.00 -1.26 -5.00 118.16 113.30 2hfi n LYS 96 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.21 2hfi n LYS 96 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2hfi n LYS 96 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2hfi h LYS 97 N 0.00 0.88 -0.00 1.64 3.64 -2.03 -2.80 116.57 117.90 2hfi h LYS 97 Ca 0.00 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2hfi h LYS 97 Cb 0.00 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2hfi h LYS 97 CO 0.00 0.94 0.00 0.00 -2.27 0.00 0.00 179.45 178.12 2hfi h ARG 98 N 0.73 0.00 -0.80 1.90 3.08 -1.95 -1.87 114.38 115.48 2hfi h ARG 98 Ca 0.13 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.19 2hfi h ARG 98 Cb 0.57 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 2hfi h ARG 98 CO 0.03 0.00 0.53 0.35 -1.07 0.00 0.00 179.97 179.81 2hfi h PHE 99 N 0.00 1.00 0.21 3.04 3.04 -1.73 -1.91 116.94 120.59 2hfi h PHE 99 Ca 0.00 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 2hfi h PHE 99 Cb 0.00 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.17 2hfi h PHE 99 CO 0.00 0.63 -0.10 -0.22 -2.02 0.00 0.00 178.31 176.59 2hfi h LYS 100 N 1.08 -0.27 -0.50 1.11 3.64 -1.46 -2.56 116.57 117.60 2hfi h LYS 100 Ca 0.29 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.74 2hfi h LYS 100 Cb -0.12 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 2hfi h LYS 100 CO -0.07 0.07 0.24 0.22 -2.27 0.00 0.00 179.45 177.65 2hfi h ASP 101 N -0.67 0.34 -0.49 4.20 3.58 -1.38 0.38 116.42 122.36 2hfi h ASP 101 Ca -0.03 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 2hfi h ASP 101 Cb 0.48 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2hfi h ASP 101 CO 0.05 0.23 0.17 0.40 -2.88 0.00 0.00 179.24 177.21 2hfi h ILE 102 N 0.48 1.22 -0.60 2.25 2.04 -1.43 0.20 117.51 121.67 2hfi h ILE 102 Ca 0.22 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 2hfi h ILE 102 Cb 0.15 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2hfi h ILE 102 CO -0.17 0.27 0.26 0.74 0.00 0.00 0.00 178.15 179.25 2hfi h THR 103 N 0.66 1.22 -0.32 -0.27 2.02 -0.91 -1.65 112.91 113.67 2hfi h THR 103 Ca 0.16 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.67 2hfi h THR 103 Cb 0.25 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2hfi h THR 103 CO -0.01 0.26 0.20 -0.33 0.37 0.00 0.00 175.52 176.02 2hfi h GLU 104 N 0.82 0.42 -0.75 6.66 4.39 0.03 0.20 114.58 126.36 2hfi h GLU 104 Ca 0.20 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.92 2hfi h GLU 104 Cb 0.17 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 2hfi h GLU 104 CO -0.02 0.30 0.46 0.77 -1.16 0.00 0.00 179.01 179.36 2hfi h SER 105 N 0.42 0.73 0.13 1.42 0.02 -0.33 0.26 113.55 116.20 2hfi h SER 105 Ca 0.12 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2hfi h SER 105 Cb -0.03 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2hfi h SER 105 CO -0.02 0.49 -0.06 0.58 -1.14 0.00 0.00 176.83 176.67 2hfi h VAL 106 N 0.87 1.05 -0.90 2.27 2.07 -0.96 -2.93 116.25 117.72 2hfi h VAL 106 Ca 0.32 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2hfi h VAL 106 Cb 0.10 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2hfi h VAL 106 CO -0.14 0.22 0.56 -0.07 0.02 0.00 0.00 177.57 178.16 2hfi h LEU 107 N -0.64 1.07 -0.71 2.57 3.38 -0.41 0.99 115.31 121.56 2hfi h LEU 107 Ca -0.02 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2hfi h LEU 107 Cb 0.49 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2hfi h LEU 107 CO 0.03 0.80 0.47 0.22 0.09 0.00 0.00 178.44 180.05 2hfi h TYR 108 N 1.24 0.88 -0.35 1.13 3.20 -0.54 0.82 116.97 123.35 2hfi h TYR 108 Ca 0.33 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 62.06 2hfi h TYR 108 Cb -0.08 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.89 2hfi h TYR 108 CO 0.00 0.54 -0.42 1.15 -1.64 0.00 0.00 178.16 177.79 2hfi h THR 109 N 0.94 1.28 -0.90 1.81 2.02 -1.17 -2.84 112.91 114.05 2hfi h THR 109 Ca 0.27 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 2hfi h THR 109 Cb -0.07 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 2hfi h THR 109 CO -0.07 0.53 0.50 -0.07 0.37 0.00 0.00 175.52 176.78 2hfi h LEU 110 N 0.71 1.11 -0.60 2.58 3.38 -0.24 -0.90 115.31 121.35 2hfi h LEU 110 Ca 0.05 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2hfi h LEU 110 Cb 1.01 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 2hfi h LEU 110 CO 0.10 0.88 0.32 0.45 0.09 0.00 0.00 178.44 180.28 2hfi h HIS 111 N 1.25 0.58 -0.05 1.13 3.86 -0.75 -0.18 115.15 120.99 2hfi h HIS 111 Ca 0.32 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2hfi h HIS 111 Cb 0.01 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 2hfi h HIS 111 CO 0.01 0.28 0.01 0.00 0.86 0.00 0.00 177.93 179.09 2hfi h ALA 112 N 1.32 0.07 -0.10 2.45 0.00 -1.09 -2.68 119.26 119.23 2hfi h ALA 112 Ca 0.27 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2hfi h ALA 112 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2hfi h ALA 112 CO -0.18 -0.32 -0.59 0.28 0.00 0.00 0.00 179.25 178.45 2hfi h VAL 113 N -0.12 1.36 -0.34 0.00 2.07 -1.06 -2.09 116.25 116.07 2hfi h VAL 113 Ca 0.02 -1.92 0.03 0.00 0.82 0.00 0.00 66.70 65.65 2hfi h VAL 113 Cb 0.22 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2hfi h VAL 113 CO -0.00 0.58 0.15 0.50 0.02 0.00 0.00 177.57 178.82 2hfi h LYS 114 N 0.26 0.31 -0.38 1.57 3.11 -0.99 -1.65 116.57 118.79 2hfi h LYS 114 Ca -0.00 -0.02 -0.13 0.00 -2.81 0.00 0.00 60.65 57.69 2hfi h LYS 114 Cb 1.10 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.25 2hfi h LYS 114 CO 0.10 0.20 -0.27 0.22 -2.81 0.00 0.00 179.45 176.89 2hfi h ASP 115 N 0.32 0.82 -0.06 4.20 1.82 -1.22 -2.82 116.42 119.48 2hfi h ASP 115 Ca 0.15 -0.32 0.04 0.00 -0.39 0.00 0.00 57.03 56.50 2hfi h ASP 115 Cb 0.08 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 39.82 2hfi h ASP 115 CO -0.12 1.05 -0.19 -0.33 -1.61 0.00 0.00 179.24 178.03 2hfi h GLU 116 N 0.68 -0.27 -0.44 0.28 4.39 -0.95 0.41 114.58 118.68 2hfi h GLU 116 Ca 0.08 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.83 2hfi h GLU 116 Cb 0.80 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 2hfi h GLU 116 CO 0.07 -0.18 0.25 0.82 -1.16 0.00 0.00 179.01 178.81 2hfi h ILE 117 N -0.28 1.03 0.00 3.13 2.04 -1.22 0.25 117.51 122.46 2hfi h ILE 117 Ca 0.08 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2hfi h ILE 117 Cb 0.39 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2hfi h ILE 117 CO -0.23 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.02 2hfi h ALA 118 N 1.21 1.00 0.17 1.87 0.00 -1.26 -2.68 119.26 119.57 2hfi h ALA 118 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.74 2hfi h ALA 118 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2hfi h ALA 118 CO -0.09 0.00 -1.79 -0.09 0.00 0.00 0.00 179.25 177.28 2hfi h ARG 119 N 0.00 0.36 -0.13 0.00 2.43 0.80 -3.32 114.38 114.52 2hfi h ARG 119 Ca 0.00 -0.61 -0.15 0.00 -0.81 0.00 0.00 59.98 58.40 2hfi h ARG 119 Cb 0.73 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 2hfi h ARG 119 CO 0.00 1.28 -0.58 1.49 -1.51 0.00 0.00 179.97 180.65 2hfi h GLU 120 N 0.10 0.42 -3.19 0.20 4.57 -0.55 -3.43 114.58 112.69 2hfi h GLU 120 Ca -0.35 -0.27 -0.27 0.00 -1.18 0.00 0.00 59.36 57.29 2hfi h GLU 120 Cb 2.08 0.04 -0.34 0.00 -0.16 0.00 0.00 28.75 30.37 2hfi h GLU 120 CO 0.16 0.88 -0.62 0.34 -1.18 0.00 0.00 179.01 178.59 2hfi s ASP 121 N -6.92 0.26 -0.09 1.04 2.15 -1.01 -5.11 116.67 106.99 2hfi s ASP 121 Ca -0.06 0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.23 2hfi s ASP 121 Cb 0.12 0.21 -0.03 0.00 -0.30 0.00 0.00 42.92 42.92 2hfi s ASP 121 CO 0.82 -0.19 -0.08 -0.44 -0.17 0.00 0.00 175.17 175.11 2hfi s SER 122 N 1.64 4.47 0.00 -0.34 0.01 -1.25 -4.14 113.70 114.10 2hfi s SER 122 Ca -0.04 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2hfi s SER 122 Cb -0.12 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.80 2hfi s SER 122 CO -0.06 0.29 0.01 0.54 0.41 0.00 0.00 173.24 174.44