#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 4.29 -0.57 3.17 0.05 -1.26 -4.92 118.68 119.44 2hfi s LEU 2 Ca 0.00 2.42 -0.04 0.00 0.05 0.00 0.00 54.13 56.56 2hfi s LEU 2 Cb 0.00 -3.89 0.15 0.00 -2.05 0.00 0.00 46.19 40.40 2hfi s LEU 2 CO 0.00 -0.59 0.40 -0.44 -0.55 0.00 0.00 176.35 175.17 2hfi s SER 3 N -0.95 5.41 0.66 1.48 0.01 -1.26 -4.90 113.70 114.16 2hfi s SER 3 Ca 0.54 -2.55 0.00 0.00 1.31 0.00 0.00 55.95 55.25 2hfi s SER 3 Cb -0.33 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2hfi s SER 3 CO 0.42 -0.46 0.00 0.00 0.41 0.00 0.00 173.24 173.61 2hfi n GLN 4 N 3.94 -0.52 0.06 12.44 6.02 -1.26 -3.86 117.38 134.20 2hfi n GLN 4 Ca 0.04 0.35 -0.22 0.00 -0.01 0.00 0.00 57.00 57.15 2hfi n GLN 4 Cb 0.40 -0.64 -0.15 0.00 1.02 0.00 0.00 30.24 30.87 2hfi n GLN 4 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2hfi h THR 5 N -0.24 0.87 0.00 5.09 2.02 -1.98 -3.35 112.91 115.31 2hfi h THR 5 Ca 0.01 -2.49 -0.00 0.00 0.77 0.00 0.00 66.41 64.69 2hfi h THR 5 Cb 0.24 2.70 -0.00 0.00 -1.74 0.00 0.00 68.15 69.35 2hfi h THR 5 CO 0.00 0.87 -0.02 0.25 0.37 0.00 0.00 175.52 176.98 2hfi h LEU 6 N 0.10 0.00 -0.19 2.58 5.85 -2.00 -2.34 115.31 119.31 2hfi h LEU 6 Ca -0.36 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2hfi h LEU 6 Cb 2.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.10 2hfi h LEU 6 CO 0.16 0.02 0.07 0.25 -0.34 0.00 0.00 178.44 178.60 2hfi h LEU 7 N 0.00 0.27 -0.85 2.25 5.85 -1.70 -2.92 115.31 118.20 2hfi h LEU 7 Ca -0.00 -0.17 0.14 0.00 0.84 0.00 0.00 57.88 58.69 2hfi h LEU 7 Cb 0.09 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 40.95 2hfi h LEU 7 CO 0.00 0.37 0.44 -0.33 -0.34 0.00 0.00 178.44 178.59 2hfi h GLU 8 N 0.15 0.62 -0.42 1.25 4.39 -1.63 0.42 114.58 119.36 2hfi h GLU 8 Ca 0.06 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.74 2hfi h GLU 8 Cb 0.19 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2hfi h GLU 8 CO -0.00 0.41 0.27 0.52 -1.16 0.00 0.00 179.01 179.04 2hfi h MET 9 N 0.64 0.53 -0.24 2.33 2.86 -1.62 -1.53 114.93 117.90 2hfi h MET 9 Ca 0.46 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.90 2hfi h MET 9 Cb 0.64 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 2hfi h MET 9 CO -0.36 0.35 -0.55 1.15 1.06 0.00 0.00 176.91 178.56 2hfi h THR 10 N 0.54 1.30 -0.67 2.22 2.02 -0.85 -2.37 112.91 115.09 2hfi h THR 10 Ca 0.16 -1.76 0.06 0.00 0.77 0.00 0.00 66.41 65.64 2hfi h THR 10 Cb -0.04 1.70 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 2hfi h THR 10 CO -0.05 0.56 0.37 -0.33 0.37 0.00 0.00 175.52 176.44 2hfi h GLU 11 N 0.55 0.66 -0.39 6.66 4.39 0.00 -0.15 114.58 126.31 2hfi h GLU 11 Ca 0.01 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2hfi h GLU 11 Cb 1.13 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 2hfi h GLU 11 CO 0.11 0.44 0.06 0.37 -1.16 0.00 0.00 179.01 178.83 2hfi h GLN 12 N 0.68 0.65 -0.70 2.33 5.75 -1.20 -2.72 115.11 119.90 2hfi h GLN 12 Ca 0.30 -0.18 0.09 0.00 -0.15 0.00 0.00 58.65 58.72 2hfi h GLN 12 Cb 0.20 -0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.61 2hfi h GLN 12 CO -0.19 0.70 0.34 0.52 -2.65 0.00 0.00 178.83 177.56 2hfi h MET 13 N 0.50 0.57 0.18 1.69 2.86 -0.80 -1.11 114.93 118.81 2hfi h MET 13 Ca 0.12 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2hfi h MET 13 Cb 0.37 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 2hfi h MET 13 CO 0.01 0.38 -0.10 0.82 1.06 0.00 0.00 176.91 179.08 2hfi h ILE 14 N 0.59 0.79 -0.31 -1.22 2.04 -0.89 -2.71 117.51 115.80 2hfi h ILE 14 Ca 0.34 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.12 2hfi h ILE 14 Cb 0.36 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2hfi h ILE 14 CO -0.27 0.00 -0.16 -0.08 0.00 0.00 0.00 178.15 177.65 2hfi h GLU 15 N -0.26 0.54 -0.40 2.37 4.81 -1.16 -2.65 114.58 117.84 2hfi h GLU 15 Ca -0.02 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 2hfi h GLU 15 Cb 0.21 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2hfi h GLU 15 CO 0.02 0.68 0.24 0.28 -0.73 0.00 0.00 179.01 179.51 2hfi h VAL 16 N 0.49 1.06 -0.02 0.32 2.07 -1.05 0.44 116.25 119.55 2hfi h VAL 16 Ca 0.09 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2hfi h VAL 16 Cb 0.56 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2hfi h VAL 16 CO 0.04 0.09 0.01 0.00 0.02 0.00 0.00 177.57 177.73 2hfi h ALA 17 N 1.17 0.03 -0.49 1.67 0.00 -1.24 0.70 119.26 121.09 2hfi h ALA 17 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2hfi h ALA 17 Cb -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2hfi h ALA 17 CO -0.06 -0.46 0.17 0.93 0.00 0.00 0.00 179.25 179.83 2hfi h GLU 18 N 0.00 0.72 -0.18 0.00 5.08 -1.24 -0.61 114.58 118.34 2hfi h GLU 18 Ca 0.01 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2hfi h GLU 18 Cb 0.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2hfi h GLU 18 CO -0.00 0.61 0.06 -0.22 -1.00 0.00 0.00 179.01 178.46 2hfi h LYS 19 N 0.71 0.29 -0.59 2.33 1.63 0.33 0.16 116.57 121.42 2hfi h LYS 19 Ca 0.17 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2hfi h LYS 19 Cb 0.18 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 2hfi h LYS 19 CO -0.01 0.40 0.35 0.78 -3.45 0.00 0.00 179.45 177.52 2hfi h GLY 20 N 0.12 0.87 0.95 5.01 0.00 -0.55 0.16 103.07 109.63 2hfi h GLY 20 Ca 0.06 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.03 2hfi h GLY 20 CO -0.00 0.36 0.22 0.00 0.00 0.00 0.00 176.54 177.11 2hfi h ALA 21 N 1.17 0.45 -0.23 3.60 0.00 -1.01 -2.22 119.26 121.03 2hfi h ALA 21 Ca 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2hfi h ALA 21 Cb -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2hfi h ALA 21 CO -0.04 -0.12 0.10 0.22 0.00 0.00 0.00 179.25 179.42 2hfi h ASP 22 N 0.45 0.15 -0.69 0.00 1.82 -0.60 0.14 116.42 117.68 2hfi h ASP 22 Ca 0.14 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.82 2hfi h ASP 22 Cb -0.02 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 39.94 2hfi h ASP 22 CO -0.05 0.12 0.43 -0.09 -1.61 0.00 0.00 179.24 178.04 2hfi h ARG 23 N 0.23 0.83 -0.05 0.28 9.65 -0.74 0.26 114.38 124.83 2hfi h ARG 23 Ca 0.10 -0.05 -0.22 0.00 -1.10 0.00 0.00 59.98 58.71 2hfi h ARG 23 Cb 0.04 -0.19 0.02 0.00 -1.39 0.00 0.00 29.97 28.44 2hfi h ARG 23 CO -0.07 0.55 -0.82 -0.92 2.80 0.00 0.00 179.97 181.51 2hfi h TYR 24 N 0.85 0.92 -0.67 2.20 3.20 -1.24 -2.13 116.97 120.11 2hfi h TYR 24 Ca 0.27 -0.46 -0.04 0.00 3.14 0.00 0.00 58.73 61.64 2hfi h TYR 24 Cb 0.00 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 2hfi h TYR 24 CO -0.04 1.29 0.26 0.37 -1.64 0.00 0.00 178.16 178.40 2hfi h GLN 25 N 0.28 1.01 0.63 1.82 -0.00 -0.33 -3.19 115.11 115.33 2hfi h GLN 25 Ca -0.09 -0.19 -0.03 0.00 -0.00 0.00 0.00 58.65 58.34 2hfi h GLN 25 Cb 1.48 -0.16 0.01 0.00 0.00 0.00 0.00 27.48 28.81 2hfi h GLN 25 CO 0.16 0.85 -0.30 1.49 0.00 0.00 0.00 178.83 181.03 2hfi h GLU 26 N 0.95 -0.82 -6.44 1.69 4.81 -0.55 -3.47 114.58 110.75 2hfi h GLU 26 Ca 0.22 0.06 -0.49 0.00 -0.13 0.00 0.00 59.36 59.02 2hfi h GLU 26 Cb 0.22 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2hfi h GLU 26 CO -0.02 -0.55 -0.90 0.41 -0.73 0.00 0.00 179.01 177.22 2hfi n GLY 27 N -0.61 -0.43 1.15 1.92 0.00 -0.80 -4.87 105.19 101.54 2hfi n GLY 27 Ca -0.11 0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.38 3.43 -4.89 1.61 3.00 -1.26 -4.94 118.16 110.74 2hfi n LYS 28 Ca -0.25 -2.84 -0.28 0.00 -0.00 0.00 0.00 58.31 54.94 2hfi n LYS 28 Cb 0.66 -1.89 -0.17 0.00 0.00 0.00 0.00 35.03 33.64 2hfi n LYS 28 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2hfi s ASN 29 N -1.50 2.36 0.00 3.14 2.47 -1.26 -4.94 114.94 115.20 2hfi s ASN 29 Ca 0.44 -0.41 0.00 0.00 0.42 0.00 0.00 52.86 53.31 2hfi s ASN 29 Cb 0.33 -0.96 0.00 0.00 -1.45 0.00 0.00 41.25 39.18 2hfi s ASN 29 CO 0.12 0.11 0.22 -1.20 -3.72 0.00 0.00 177.10 172.64 2hfi n SER 30 N 3.51 0.00 -2.88 -4.21 7.64 -1.26 -4.95 113.62 111.47 2hfi n SER 30 Ca -0.20 -1.00 -0.26 0.00 1.01 0.00 0.00 58.87 58.42 2hfi n SER 30 Cb 0.52 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 2hfi n SER 30 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2hfi n ASN 31 N 0.00 4.13 -3.61 6.43 4.13 -1.26 -4.99 115.26 120.09 2hfi n ASN 31 Ca 0.00 -3.61 -0.10 0.00 1.68 0.00 0.00 54.58 52.54 2hfi n ASN 31 Cb 0.41 -0.55 -0.06 0.00 -1.54 0.00 0.00 39.78 38.04 2hfi n ASN 31 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 2hfi s HIS 32 N -3.39 -0.47 0.36 3.10 2.46 -1.26 -5.05 115.29 111.04 2hfi s HIS 32 Ca 0.48 1.04 0.22 0.00 0.47 0.00 0.00 55.06 57.27 2hfi s HIS 32 Cb 0.31 0.39 1.16 0.00 -0.13 0.00 0.00 32.58 34.31 2hfi s HIS 32 CO -0.14 -0.30 1.97 0.77 -2.47 0.00 0.00 174.74 174.57 2hfi h SER 33 N 3.67 0.00 0.00 9.88 0.02 -2.03 -3.46 113.55 121.63 2hfi h SER 33 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2hfi h SER 33 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2hfi h SER 33 CO 0.18 0.20 0.00 -1.22 -1.14 0.00 0.00 176.83 174.85 2hfi n TYR 34 N -3.76 0.00 -0.87 3.45 4.01 -1.26 -4.88 117.16 113.85 2hfi n TYR 34 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2hfi n TYR 34 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 2hfi n TYR 34 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2hfi n ASP 35 N 2.17 -4.97 -0.10 7.72 2.03 -1.26 -3.27 116.55 118.86 2hfi n ASP 35 Ca 0.00 0.82 -0.13 0.00 0.52 0.00 0.00 54.79 56.00 2hfi n ASP 35 Cb 0.00 -2.25 -0.04 0.00 -0.72 0.00 0.00 41.12 38.11 2hfi n ASP 35 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2hfi h PHE 36 N 0.60 0.78 0.00 -0.67 3.57 -1.98 -2.78 116.94 116.46 2hfi h PHE 36 Ca 0.00 -0.21 -0.10 0.00 3.53 0.00 0.00 57.97 61.18 2hfi h PHE 36 Cb 0.20 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2hfi h PHE 36 CO 0.02 0.93 -0.60 0.74 -2.23 0.00 0.00 178.31 177.16 2hfi h PHE 37 N 0.41 0.00 0.01 0.41 0.04 -1.96 0.34 116.94 116.20 2hfi h PHE 37 Ca 0.06 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 2hfi h PHE 37 Cb 0.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 2hfi h PHE 37 CO 0.07 0.47 -0.01 1.49 -0.60 0.00 0.00 178.31 179.73 2hfi h GLU 38 N 0.00 -0.02 0.00 1.51 4.57 -1.75 -3.39 114.58 115.50 2hfi h GLU 38 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2hfi h GLU 38 Cb 1.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.97 2hfi h GLU 38 CO 0.06 0.22 -0.49 -2.37 -1.18 0.00 0.00 179.01 175.24 2hfi n THR 39 N -4.75 0.00 -0.06 0.32 5.66 -1.05 -4.64 114.28 109.75 2hfi n THR 39 Ca -0.03 -0.28 -0.07 0.00 -3.05 0.00 0.00 64.05 60.63 2hfi n THR 39 Cb 0.12 0.96 -0.02 0.00 -1.55 0.00 0.00 70.33 69.84 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 -1.25 1.30 -0.14 1.09 5.41 -1.04 -4.59 119.36 120.14 2hfi n ILE 40 Ca 0.02 0.20 -0.07 0.00 1.00 0.00 0.00 62.75 63.90 2hfi n ILE 40 Cb 0.15 -2.16 -0.01 0.00 -0.71 0.00 0.00 39.64 36.91 2hfi n ILE 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2hfi h LYS 41 N -0.77 -0.23 -1.01 0.38 3.64 -0.53 -2.03 116.57 116.03 2hfi h LYS 41 Ca 0.00 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 2hfi h LYS 41 Cb 0.77 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.57 2hfi h LYS 41 CO 0.00 -0.15 0.64 -1.35 -2.27 0.00 0.00 179.45 176.32 2hfi h PRO 42 N -0.24 1.07 -0.26 1.90 0.11 -1.83 -1.09 132.00 131.66 2hfi h PRO 42 Ca 0.18 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.06 2hfi h PRO 42 Cb 0.55 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2hfi h PRO 42 CO -0.58 0.71 -0.50 0.00 -0.21 0.00 0.00 178.00 177.42 2hfi h ALA 43 N 1.49 0.41 -0.68 -0.75 0.00 -1.69 -2.84 119.26 115.21 2hfi h ALA 43 Ca 0.46 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2hfi h ALA 43 Cb 0.31 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2hfi h ALA 43 CO -0.21 0.59 0.45 0.28 0.00 0.00 0.00 179.25 180.35 2hfi h VAL 44 N 0.56 1.18 -0.18 0.00 2.07 -0.67 -0.31 116.25 118.89 2hfi h VAL 44 Ca 0.01 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.25 2hfi h VAL 44 Cb 1.10 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 2hfi h VAL 44 CO 0.11 0.17 -0.10 -0.33 0.02 0.00 0.00 177.57 177.44 2hfi h GLU 45 N 0.92 -0.09 0.12 1.57 5.08 -1.17 0.31 114.58 121.32 2hfi h GLU 45 Ca 0.25 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2hfi h GLU 45 Cb -0.10 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2hfi h GLU 45 CO -0.05 -0.06 -0.06 0.93 -1.00 0.00 0.00 179.01 178.77 2hfi h GLU 46 N -0.10 -0.16 -0.82 2.33 4.39 -1.22 -1.99 114.58 117.01 2hfi h GLU 46 Ca 0.10 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 2hfi h GLU 46 Cb 0.25 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 2hfi h GLU 46 CO -0.24 -0.02 0.45 -0.91 -1.16 0.00 0.00 179.01 177.13 2hfi h ASN 47 N -0.26 1.02 -0.57 1.42 -0.26 -0.86 -0.15 115.58 115.92 2hfi h ASN 47 Ca -0.02 -0.09 0.01 0.00 -0.56 0.00 0.00 56.30 55.65 2hfi h ASN 47 Cb 0.21 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.18 2hfi h ASN 47 CO 0.03 0.83 0.37 -0.78 -1.06 0.00 0.00 177.43 176.81 2hfi h ASP 48 N 1.15 0.63 -0.05 5.81 3.58 -0.21 0.18 116.42 127.51 2hfi h ASP 48 Ca 0.29 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 2hfi h ASP 48 Cb 0.03 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 40.93 2hfi h ASP 48 CO -0.05 0.45 0.02 -0.33 -2.88 0.00 0.00 179.24 176.45 2hfi h GLU 49 N 0.75 0.07 0.15 0.28 4.39 -0.89 -2.68 114.58 116.65 2hfi h GLU 49 Ca 0.22 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.91 2hfi h GLU 49 Cb -0.06 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 2hfi h GLU 49 CO -0.06 0.22 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.77 2hfi h LEU 50 N -0.10 -0.46 -1.50 1.33 4.07 -0.66 -1.82 115.31 116.18 2hfi h LEU 50 Ca 0.02 0.05 0.04 0.00 0.08 0.00 0.00 57.88 58.06 2hfi h LEU 50 Cb 0.18 0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 2hfi h LEU 50 CO -0.00 -0.25 0.38 0.00 -1.08 0.00 0.00 178.44 177.49 2hfi h ALA 51 N 0.44 1.72 0.44 1.53 0.00 -0.70 0.22 119.26 122.92 2hfi h ALA 51 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2hfi h ALA 51 Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2hfi h ALA 51 CO -0.06 0.21 -0.21 0.00 0.00 0.00 0.00 179.25 179.19 2hfi h ALA 52 N 1.67 -0.59 -0.04 0.00 0.00 -1.10 -2.63 119.26 116.57 2hfi h ALA 52 Ca 0.23 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2hfi h ALA 52 Cb 0.12 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2hfi h ALA 52 CO -0.06 -0.63 -0.55 -0.09 0.00 0.00 0.00 179.25 177.91 2hfi h ARG 53 N -1.01 0.12 -0.53 0.00 1.12 -1.15 -2.47 114.38 110.46 2hfi h ARG 53 Ca -0.06 -0.08 -0.04 0.00 -1.11 0.00 0.00 59.98 58.69 2hfi h ARG 53 Cb 0.56 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.51 2hfi h ARG 53 CO 0.10 0.64 0.16 2.35 -3.11 0.00 0.00 179.97 180.11 2hfi h TRP 54 N 0.09 0.87 -0.51 2.20 7.01 -0.65 0.80 115.95 125.75 2hfi h TRP 54 Ca -0.00 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 60.88 2hfi h TRP 54 Cb 1.01 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.80 2hfi h TRP 54 CO 0.01 0.74 0.23 0.00 -2.79 0.00 0.00 178.44 176.64 2hfi h ALA 55 N 1.03 0.67 -0.31 2.65 0.00 -1.26 0.18 119.26 122.20 2hfi h ALA 55 Ca 0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2hfi h ALA 55 Cb 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2hfi h ALA 55 CO -0.00 0.24 0.00 0.93 0.00 0.00 0.00 179.25 180.42 2hfi h GLU 56 N 0.69 0.48 -0.24 0.00 5.08 -1.21 0.17 114.58 119.55 2hfi h GLU 56 Ca 0.17 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2hfi h GLU 56 Cb 0.15 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2hfi h GLU 56 CO -0.02 0.51 -0.24 0.78 -1.00 0.00 0.00 179.01 179.04 2hfi h GLY 57 N 0.79 0.65 1.01 -3.84 0.00 -0.21 -1.62 103.07 99.85 2hfi h GLY 57 Ca 0.10 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 2hfi h GLY 57 CO 0.01 0.60 0.35 0.00 0.00 0.00 0.00 176.54 177.50 2hfi h ALA 58 N 0.68 0.88 -0.57 3.60 0.00 -0.23 -1.95 119.26 121.66 2hfi h ALA 58 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2hfi h ALA 58 Cb 0.80 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2hfi h ALA 58 CO 0.06 0.43 0.38 -0.07 0.00 0.00 0.00 179.25 180.05 2hfi h LEU 59 N 0.95 0.66 -0.41 0.00 3.38 -0.64 -1.52 115.31 117.74 2hfi h LEU 59 Ca 0.24 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2hfi h LEU 59 Cb 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2hfi h LEU 59 CO -0.03 0.48 0.21 -0.08 0.09 0.00 0.00 178.44 179.11 2hfi h GLU 60 N 0.78 0.58 -0.27 1.13 4.57 -0.55 -0.75 114.58 120.06 2hfi h GLU 60 Ca 0.21 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2hfi h GLU 60 Cb -0.09 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 2hfi h GLU 60 CO -0.05 0.48 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.10 2hfi h LEU 61 N 0.53 0.56 0.00 1.64 -0.00 -0.85 -2.21 115.31 114.97 2hfi h LEU 61 Ca 0.14 -0.39 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 2hfi h LEU 61 Cb 0.08 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 2hfi h LEU 61 CO -0.02 0.82 0.00 2.30 -0.00 0.00 0.00 178.44 181.54 2hfi n ILE 62 N -4.48 0.26 0.11 1.22 -5.35 -0.63 -0.98 119.36 109.51 2hfi n ILE 62 Ca -0.03 0.06 -0.24 0.00 -0.27 0.00 0.00 62.75 62.27 2hfi n ILE 62 Cb 0.33 -0.66 -0.15 0.00 -1.74 0.00 0.00 39.64 37.42 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 0.47 0.02 6.28 3.11 -0.76 -3.39 116.57 122.30 2hfi h LYS 63 Ca 0.00 -0.80 -0.00 0.00 -2.81 0.00 0.00 60.65 57.04 2hfi h LYS 63 Cb 0.27 0.30 0.00 0.00 -1.00 0.00 0.00 32.23 31.80 2hfi h LYS 63 CO 0.00 1.38 -0.01 0.28 -2.81 0.00 0.00 179.45 178.29 2hfi h VAL 64 N 0.06 1.47 -3.10 2.00 2.07 -0.78 -3.48 116.25 114.49 2hfi h VAL 64 Ca -0.27 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.66 2hfi h VAL 64 Cb 2.08 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 34.38 2hfi h VAL 64 CO 0.23 0.40 0.00 0.54 0.02 0.00 0.00 177.57 178.76 2hfi n ARG 65 N -4.77 3.52 -1.97 1.57 1.74 -0.15 -5.12 116.66 111.48 2hfi n ARG 65 Ca -0.09 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.69 2hfi n ARG 65 Cb 0.33 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.78 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 1.19 3.55 0.17 5.56 3.00 -1.26 -4.58 118.95 126.58 2hfi s ARG 66 Ca 0.00 0.66 -0.20 0.00 0.00 0.00 0.00 55.73 56.19 2hfi s ARG 66 Cb 0.00 -2.12 0.09 0.00 0.00 0.00 0.00 34.95 32.93 2hfi s ARG 66 CO 0.00 -0.55 1.62 -1.35 0.00 0.00 0.00 175.30 175.02 2hfi h PRO 67 N -0.27 -0.17 -4.25 3.54 0.11 -1.81 -3.43 132.00 125.72 2hfi h PRO 67 Ca -0.44 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2hfi h PRO 67 Cb 1.20 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2hfi h PRO 67 CO 0.62 -0.11 -0.92 1.17 -0.21 0.00 0.00 178.00 178.55 2hfi n LYS 68 N -5.40 -3.95 0.00 1.05 3.00 -1.26 -4.29 118.16 107.31 2hfi n LYS 68 Ca 0.02 3.00 0.00 0.00 -0.00 0.00 0.00 58.31 61.33 2hfi n LYS 68 Cb 0.31 -3.93 0.00 0.00 0.00 0.00 0.00 35.03 31.41 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 1.41 0.00 -3.20 5.64 4.01 -1.26 -4.81 117.16 118.94 2hfi n TYR 69 Ca -0.10 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.38 2hfi n TYR 69 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.17 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 0.00 5.05 0.30 -0.72 0.11 -1.26 -5.11 120.40 118.76 2hfi s VAL 70 Ca 0.00 -0.21 0.09 0.00 -2.93 0.00 0.00 61.98 58.93 2hfi s VAL 70 Cb 0.00 -3.84 -0.06 0.00 -1.53 0.00 0.00 36.38 30.95 2hfi s VAL 70 CO 0.00 -0.57 -0.10 -1.00 -3.33 0.00 0.00 175.10 170.09 2hfi s HIS 71 N -2.36 2.19 0.35 1.54 3.76 -1.26 -4.61 115.29 114.90 2hfi s HIS 71 Ca 0.42 -0.54 0.04 0.00 -0.15 0.00 0.00 55.06 54.84 2hfi s HIS 71 Cb -0.10 -1.19 0.65 0.00 1.11 0.00 0.00 32.58 33.05 2hfi s HIS 71 CO 0.37 0.49 1.92 1.57 -0.85 0.00 0.00 174.74 178.25 2hfi h LYS 72 N 2.18 0.57 -0.86 1.40 2.10 -1.99 -1.12 116.57 118.85 2hfi h LYS 72 Ca -0.41 -0.09 0.03 0.00 -2.00 0.00 0.00 60.65 58.18 2hfi h LYS 72 Cb 1.24 -0.10 -0.05 0.00 -0.90 0.00 0.00 32.23 32.43 2hfi h LYS 72 CO 0.67 0.52 0.57 0.93 -2.00 0.00 0.00 179.45 180.14 2hfi h GLU 73 N 0.56 1.07 -0.12 0.07 5.08 -1.99 -0.18 114.58 119.07 2hfi h GLU 73 Ca 0.13 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2hfi h GLU 73 Cb 0.20 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2hfi h GLU 73 CO -0.00 0.71 -0.26 1.96 -1.00 0.00 0.00 179.01 180.41 2hfi h GLN 74 N 1.10 0.39 -0.75 2.33 1.08 -1.66 -2.71 115.11 114.90 2hfi h GLN 74 Ca 0.33 -0.26 0.02 0.00 -1.45 0.00 0.00 58.65 57.30 2hfi h GLN 74 Cb -0.03 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 2hfi h GLN 74 CO -0.09 0.86 0.48 0.82 -0.95 0.00 0.00 178.83 179.95 2hfi h ILE 75 N -0.02 1.14 -0.13 2.54 2.04 -0.73 0.15 117.51 122.49 2hfi h ILE 75 Ca 0.00 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 2hfi h ILE 75 Cb 0.86 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2hfi h ILE 75 CO 0.06 0.17 -0.39 -0.33 0.00 0.00 0.00 178.15 177.66 2hfi h GLU 76 N 0.95 0.29 -0.15 2.37 5.08 -1.10 -1.00 114.58 121.03 2hfi h GLU 76 Ca 0.29 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2hfi h GLU 76 Cb -0.03 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2hfi h GLU 76 CO -0.09 0.64 -0.11 0.00 -1.00 0.00 0.00 179.01 178.45 2hfi h ALA 77 N 1.35 0.22 -0.51 3.43 0.00 -1.02 -3.13 119.26 119.59 2hfi h ALA 77 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2hfi h ALA 77 Cb 0.80 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2hfi h ALA 77 CO 0.06 0.06 0.28 0.28 0.00 0.00 0.00 179.25 179.93 2hfi h VAL 78 N -0.01 1.16 -0.54 0.00 2.07 -0.50 0.18 116.25 118.60 2hfi h VAL 78 Ca 0.03 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 67.23 2hfi h VAL 78 Cb 0.62 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 2hfi h VAL 78 CO 0.03 0.17 0.22 0.50 0.02 0.00 0.00 177.57 178.51 2hfi h LYS 79 N 0.71 0.41 0.07 1.57 3.64 -1.13 0.39 116.57 122.23 2hfi h LYS 79 Ca 0.18 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.33 2hfi h LYS 79 Cb 0.02 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2hfi h LYS 79 CO -0.03 0.27 -0.87 0.22 -2.27 0.00 0.00 179.45 176.78 2hfi h ASP 80 N 0.42 0.64 0.38 4.20 3.58 -1.41 -3.31 116.42 120.93 2hfi h ASP 80 Ca 0.26 -0.83 -0.04 0.00 0.42 0.00 0.00 57.03 56.84 2hfi h ASP 80 Cb 0.25 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2hfi h ASP 80 CO -0.23 1.40 -0.20 0.78 -2.88 0.00 0.00 179.24 178.10 2hfi h ASN 81 N -0.04 0.00 -0.15 2.28 2.35 -0.29 0.28 115.58 120.02 2hfi h ASN 81 Ca -0.13 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 2hfi h ASN 81 Cb 1.59 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.96 2hfi h ASN 81 CO 0.17 0.20 0.02 0.15 -1.65 0.00 0.00 177.43 176.32 2hfi h PHE 82 N 0.00 0.26 -0.31 1.19 3.57 -0.32 0.25 116.94 121.58 2hfi h PHE 82 Ca -0.00 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.33 2hfi h PHE 82 Cb 0.45 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2hfi h PHE 82 CO 0.00 0.44 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.09 2hfi h LEU 83 N 0.01 0.73 -0.29 0.59 3.38 -1.48 -2.65 115.31 115.59 2hfi h LEU 83 Ca 0.04 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2hfi h LEU 83 Cb 0.32 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2hfi h LEU 83 CO 0.00 1.01 0.12 -0.08 0.09 0.00 0.00 178.44 179.58 2hfi h GLU 84 N 0.58 0.25 -0.19 1.13 4.57 -0.34 -1.34 114.58 119.23 2hfi h GLU 84 Ca 0.06 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 2hfi h GLU 84 Cb 0.87 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.37 2hfi h GLU 84 CO 0.08 0.16 -0.08 1.25 -1.18 0.00 0.00 179.01 179.24 2hfi h LEU 85 N 0.26 -0.27 -0.33 1.64 6.46 -0.26 0.41 115.31 123.21 2hfi h LEU 85 Ca 0.13 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 2hfi h LEU 85 Cb 0.08 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 2hfi h LEU 85 CO -0.12 -0.10 0.16 0.58 -0.62 0.00 0.00 178.44 178.33 2hfi h VAL 86 N -0.05 1.16 -0.24 1.05 2.07 -1.33 -2.52 116.25 116.40 2hfi h VAL 86 Ca 0.10 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 2hfi h VAL 86 Cb 0.20 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2hfi h VAL 86 CO -0.23 0.17 -0.17 0.25 0.02 0.00 0.00 177.57 177.62 2hfi h LEU 87 N 0.40 0.57 -1.78 2.57 5.85 -0.88 -3.11 115.31 118.94 2hfi h LEU 87 Ca 0.11 -0.44 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 2hfi h LEU 87 Cb 0.13 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2hfi h LEU 87 CO -0.01 0.89 -0.16 0.06 -0.34 0.00 0.00 178.44 178.87 2hfi h GLN 88 N 0.25 0.00 -0.27 1.25 3.07 -0.15 0.35 115.11 119.61 2hfi h GLN 88 Ca 0.05 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.72 2hfi h GLN 88 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.24 2hfi h GLN 88 CO 0.05 0.16 -0.13 1.03 0.09 0.00 0.00 178.83 180.02 2hfi h SER 89 N 0.00 0.45 0.16 0.06 0.87 -1.37 0.79 113.55 114.51 2hfi h SER 89 Ca -0.00 -0.12 -0.36 0.00 -1.23 0.00 0.00 61.79 60.09 2hfi h SER 89 Cb 0.36 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 2hfi h SER 89 CO 0.02 0.61 -2.06 -1.22 -0.53 0.00 0.00 176.83 173.65 2hfi n TYR 90 N -4.20 0.89 0.28 2.24 4.01 -0.48 -4.14 117.16 115.75 2hfi n TYR 90 Ca 0.00 0.22 0.13 0.00 -0.16 0.00 0.00 57.90 58.09 2hfi n TYR 90 Cb 0.32 -1.13 0.25 0.00 -0.31 0.00 0.00 39.34 38.47 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 0.04 0.00 -1.49 -0.72 -1.51 -1.00 -3.47 116.25 108.09 2hfi h VAL 91 Ca -0.44 -0.88 -0.25 0.00 -1.23 0.00 0.00 66.70 63.90 2hfi h VAL 91 Cb 2.02 1.88 -0.03 0.00 -2.13 0.00 0.00 31.29 33.03 2hfi h VAL 91 CO 0.05 0.00 -0.30 1.41 -1.23 0.00 0.00 177.57 177.50 2hfi n HIS 92 N -2.99 -0.46 -0.88 5.19 8.25 0.27 -4.89 115.22 119.71 2hfi n HIS 92 Ca 0.04 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.33 2hfi n HIS 92 Cb 0.49 -2.64 0.04 0.00 1.12 0.00 0.00 29.99 29.00 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 -3.71 1.53 -4.20 4.41 1.44 -1.24 -4.85 115.22 108.60 2hfi n HIS 93 Ca -0.14 -1.95 -0.16 0.00 -2.01 0.00 0.00 57.72 53.45 2hfi n HIS 93 Cb 0.57 -0.95 -0.07 0.00 0.12 0.00 0.00 29.99 29.66 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 -2.27 0.00 0.00 0.61 -4.36 -1.26 -5.09 121.20 108.82 2hfi s ILE 94 Ca 0.31 -1.85 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 2hfi s ILE 94 Cb 0.24 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.42 2hfi s ILE 94 CO -0.00 0.00 0.00 1.41 0.24 0.00 0.00 174.94 176.59 2hfi n HIS 95 N -0.53 0.00 0.15 1.37 8.25 -1.26 -5.10 115.22 118.09 2hfi n HIS 95 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2hfi n HIS 95 Cb 0.63 0.26 0.00 0.00 1.12 0.00 0.00 29.99 32.00 2hfi n HIS 95 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2hfi n LYS 96 N -2.05 0.00 -0.01 -0.41 5.02 -1.26 -4.90 118.16 114.55 2hfi n LYS 96 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2hfi n LYS 96 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2hfi n LYS 96 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2hfi h LYS 97 N 0.00 -0.32 -0.01 1.97 6.56 -1.99 0.34 116.57 123.12 2hfi h LYS 97 Ca 0.00 0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2hfi h LYS 97 Cb 0.00 0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 31.73 2hfi h LYS 97 CO 0.00 -0.21 0.01 0.00 -2.06 0.00 0.00 179.45 177.18 2hfi h ARG 98 N -0.33 0.02 -0.66 3.15 3.08 -1.99 -1.73 114.38 115.92 2hfi h ARG 98 Ca 0.11 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.19 2hfi h ARG 98 Cb 0.50 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 2hfi h ARG 98 CO -0.35 0.16 0.41 0.35 -1.07 0.00 0.00 179.97 179.47 2hfi h PHE 99 N -0.13 0.76 -0.32 3.04 3.57 -1.81 0.15 116.94 122.20 2hfi h PHE 99 Ca 0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2hfi h PHE 99 Cb 0.15 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 2hfi h PHE 99 CO -0.03 0.43 0.00 -0.22 -2.23 0.00 0.00 178.31 176.26 2hfi h LYS 100 N 0.79 0.57 -0.34 1.11 3.11 -0.85 -0.30 116.57 120.66 2hfi h LYS 100 Ca 0.27 -0.18 -0.04 0.00 -2.81 0.00 0.00 60.65 57.89 2hfi h LYS 100 Cb 0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 2hfi h LYS 100 CO -0.11 0.70 0.05 0.22 -2.81 0.00 0.00 179.45 177.50 2hfi h ASP 101 N 0.37 0.54 0.10 4.20 3.58 -0.83 -0.06 116.42 124.31 2hfi h ASP 101 Ca 0.09 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 2hfi h ASP 101 Cb 0.44 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2hfi h ASP 101 CO 0.02 0.67 -0.05 0.40 -2.88 0.00 0.00 179.24 177.40 2hfi h ILE 102 N 0.39 0.92 -0.64 2.25 2.04 -0.66 0.94 117.51 122.75 2hfi h ILE 102 Ca 0.10 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.95 2hfi h ILE 102 Cb 0.36 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 2hfi h ILE 102 CO 0.01 0.01 0.38 0.74 0.00 0.00 0.00 178.15 179.29 2hfi h THR 103 N -0.15 1.04 0.16 -0.27 2.02 -0.95 0.17 112.91 114.93 2hfi h THR 103 Ca -0.01 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2hfi h THR 103 Cb 0.12 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2hfi h THR 103 CO 0.02 0.13 -0.08 -0.08 0.37 0.00 0.00 175.52 175.89 2hfi h GLU 104 N 0.73 -0.20 -0.95 6.66 4.81 -0.77 0.12 114.58 124.98 2hfi h GLU 104 Ca 0.27 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 2hfi h GLU 104 Cb 0.08 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 2hfi h GLU 104 CO -0.13 -0.06 0.63 0.77 -0.73 0.00 0.00 179.01 179.50 2hfi h SER 105 N -0.31 1.09 0.13 1.04 0.02 -0.52 0.30 113.55 115.31 2hfi h SER 105 Ca -0.02 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2hfi h SER 105 Cb 0.24 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2hfi h SER 105 CO 0.04 0.79 -0.06 0.58 -1.14 0.00 0.00 176.83 177.03 2hfi h VAL 106 N 1.29 1.02 -0.70 2.27 2.07 -0.75 -1.70 116.25 119.75 2hfi h VAL 106 Ca 0.35 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2hfi h VAL 106 Cb -0.15 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2hfi h VAL 106 CO -0.08 0.17 0.26 -0.07 0.02 0.00 0.00 177.57 177.88 2hfi h LEU 107 N -0.53 0.96 -0.81 2.57 -0.00 -0.50 0.21 115.31 117.22 2hfi h LEU 107 Ca -0.02 -0.15 -0.03 0.00 -0.00 0.00 0.00 57.88 57.68 2hfi h LEU 107 Cb 0.42 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.79 2hfi h LEU 107 CO 0.03 0.87 0.39 0.22 -0.00 0.00 0.00 178.44 179.95 2hfi h TYR 108 N 1.02 1.16 -0.49 1.13 3.20 -0.42 0.25 116.97 122.82 2hfi h TYR 108 Ca 0.23 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 2hfi h TYR 108 Cb 0.22 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 2hfi h TYR 108 CO 0.02 0.84 0.04 1.15 -1.64 0.00 0.00 178.16 178.57 2hfi h THR 109 N 1.14 1.26 -0.57 1.81 2.02 -0.53 -1.63 112.91 116.42 2hfi h THR 109 Ca 0.28 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.47 2hfi h THR 109 Cb 0.12 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 2hfi h THR 109 CO -0.03 0.35 0.37 -0.07 0.37 0.00 0.00 175.52 176.50 2hfi h LEU 110 N 0.70 0.63 -0.98 2.58 3.38 -0.13 -1.76 115.31 119.73 2hfi h LEU 110 Ca 0.14 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2hfi h LEU 110 Cb 0.45 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2hfi h LEU 110 CO 0.02 0.45 0.64 0.45 0.09 0.00 0.00 178.44 180.09 2hfi h HIS 111 N 0.74 1.20 -0.26 1.13 3.86 -0.31 0.15 115.15 121.68 2hfi h HIS 111 Ca 0.21 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 2hfi h HIS 111 Cb -0.06 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.00 2hfi h HIS 111 CO -0.04 0.69 0.06 0.00 0.86 0.00 0.00 177.93 179.50 2hfi h ALA 112 N 1.40 0.34 -0.19 2.45 0.00 -0.67 -1.29 119.26 121.30 2hfi h ALA 112 Ca 0.39 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 2hfi h ALA 112 Cb 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2hfi h ALA 112 CO -0.13 0.00 -0.72 0.28 0.00 0.00 0.00 179.25 178.68 2hfi h VAL 113 N 0.24 1.27 -0.76 0.00 2.07 -1.08 -3.15 116.25 114.85 2hfi h VAL 113 Ca 0.08 -1.91 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 2hfi h VAL 113 Cb 0.30 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 2hfi h VAL 113 CO 0.00 0.61 0.45 0.50 0.02 0.00 0.00 177.57 179.15 2hfi h LYS 114 N 0.58 1.03 -0.20 1.57 3.11 -0.63 -2.33 116.57 119.70 2hfi h LYS 114 Ca -0.04 -0.09 -0.00 0.00 -2.81 0.00 0.00 60.65 57.71 2hfi h LYS 114 Cb 1.35 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 32.35 2hfi h LYS 114 CO 0.15 0.73 0.12 0.22 -2.81 0.00 0.00 179.45 177.86 2hfi h ASP 115 N 1.05 0.24 -0.56 4.20 3.58 -1.19 -1.93 116.42 121.80 2hfi h ASP 115 Ca 0.27 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.61 2hfi h ASP 115 Cb -0.03 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 2hfi h ASP 115 CO -0.05 0.21 0.13 -0.33 -2.88 0.00 0.00 179.24 176.32 2hfi h GLU 116 N 0.24 0.95 -0.46 0.28 4.39 -1.49 0.14 114.58 118.62 2hfi h GLU 116 Ca 0.07 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.56 2hfi h GLU 116 Cb 0.02 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2hfi h GLU 116 CO -0.01 0.86 0.30 0.82 -1.16 0.00 0.00 179.01 179.81 2hfi h ILE 117 N 0.91 1.09 -0.00 3.13 2.04 -1.13 -0.46 117.51 123.08 2hfi h ILE 117 Ca 0.19 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2hfi h ILE 117 Cb 0.35 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2hfi h ILE 117 CO 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 178.15 178.19 2hfi n ALA 118 N -2.24 2.62 0.06 1.87 0.00 -0.75 -3.13 120.51 118.93 2hfi n ALA 118 Ca 0.02 -0.19 0.09 0.00 0.00 0.00 0.00 53.44 53.37 2hfi n ALA 118 Cb 0.04 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.02 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 -1.25 0.63 -0.07 0.00 0.63 0.45 -4.13 116.66 112.92 2hfi n ARG 119 Ca 0.12 0.04 -0.13 0.00 -0.92 0.00 0.00 57.85 56.95 2hfi n ARG 119 Cb 0.28 -1.73 -0.06 0.00 0.45 0.00 0.00 32.46 31.41 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 0.00 0.55 -6.78 -0.14 4.39 -1.07 -3.45 114.58 108.08 2hfi h GLU 120 Ca -0.03 -0.31 -0.47 0.00 0.34 0.00 0.00 59.36 58.89 2hfi h GLU 120 Cb 1.10 0.02 0.05 0.00 -0.10 0.00 0.00 28.75 29.82 2hfi h GLU 120 CO 0.01 0.90 -0.05 0.34 -1.16 0.00 0.00 179.01 179.05 2hfi s ASP 121 N -6.40 4.95 -0.10 1.42 -1.08 -1.25 -5.04 116.67 109.16 2hfi s ASP 121 Ca -0.13 -0.55 0.12 0.00 -0.52 0.00 0.00 52.55 51.47 2hfi s ASP 121 Cb 0.07 -0.05 -0.17 0.00 -1.46 0.00 0.00 42.92 41.31 2hfi s ASP 121 CO 0.80 -1.41 0.09 -1.20 0.52 0.00 0.00 175.17 173.98 2hfi n SER 122 N -2.39 1.88 0.00 -0.34 7.64 -1.26 -4.88 113.62 114.26 2hfi n SER 122 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2hfi n SER 122 Cb 0.61 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.78 2hfi n SER 122 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89