#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 0.18 -0.82 4.03 0.20 -1.26 -5.09 118.68 115.92 2hfi s LEU 2 Ca 0.00 -0.65 -0.20 0.00 0.69 0.00 0.00 54.13 53.97 2hfi s LEU 2 Cb 0.00 0.01 0.11 0.00 -0.43 0.00 0.00 46.19 45.87 2hfi s LEU 2 CO 0.00 -0.37 1.06 -0.55 -0.29 0.00 0.00 176.35 176.20 2hfi s SER 3 N 2.21 6.45 -0.27 3.68 0.15 -1.26 -5.00 113.70 119.67 2hfi s SER 3 Ca 0.06 -1.64 -0.27 0.00 0.70 0.00 0.00 55.95 54.80 2hfi s SER 3 Cb -0.16 -2.41 0.01 0.00 -1.71 0.00 0.00 66.02 61.75 2hfi s SER 3 CO -0.18 -1.21 0.95 -1.58 1.20 0.00 0.00 173.24 172.42 2hfi s GLN 4 N 3.21 4.15 0.06 5.44 -0.44 -1.26 -4.95 119.66 125.86 2hfi s GLN 4 Ca 0.28 1.05 -0.20 0.00 -2.50 0.00 0.00 55.36 53.99 2hfi s GLN 4 Cb -0.10 -3.68 -0.12 0.00 -1.64 0.00 0.00 33.01 27.48 2hfi s GLN 4 CO -0.02 -0.67 1.45 1.15 0.50 0.00 0.00 175.29 177.70 2hfi h THR 5 N 5.53 1.29 -0.38 -0.34 2.02 -1.98 -0.24 112.91 118.81 2hfi h THR 5 Ca -0.21 -1.02 0.01 0.00 0.77 0.00 0.00 66.41 65.96 2hfi h THR 5 Cb 1.07 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.06 2hfi h THR 5 CO 0.95 0.30 0.25 0.25 0.37 0.00 0.00 175.52 177.64 2hfi h LEU 6 N 0.05 0.43 -0.40 2.58 5.85 -2.00 -1.10 115.31 120.73 2hfi h LEU 6 Ca 0.04 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 2hfi h LEU 6 Cb 0.48 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2hfi h LEU 6 CO 0.02 0.31 -0.27 0.25 -0.34 0.00 0.00 178.44 178.40 2hfi h LEU 7 N 0.51 0.93 -0.64 2.25 5.85 -1.98 -2.90 115.31 119.32 2hfi h LEU 7 Ca 0.14 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.51 2hfi h LEU 7 Cb -0.05 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.66 2hfi h LEU 7 CO -0.04 1.16 0.31 -0.08 -0.34 0.00 0.00 178.44 179.45 2hfi h GLU 8 N 0.70 0.54 -0.77 1.25 4.22 -0.58 0.39 114.58 120.33 2hfi h GLU 8 Ca 0.08 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.44 2hfi h GLU 8 Cb 0.85 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2hfi h GLU 8 CO 0.07 0.35 0.32 0.52 -2.18 0.00 0.00 179.01 178.10 2hfi h MET 9 N 0.55 1.15 -0.08 1.92 2.86 -1.16 0.30 114.93 120.48 2hfi h MET 9 Ca 0.30 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2hfi h MET 9 Cb 0.29 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 2hfi h MET 9 CO -0.24 0.93 0.01 1.15 1.06 0.00 0.00 176.91 179.82 2hfi h THR 10 N 1.11 1.21 -0.62 2.22 2.02 -1.09 -0.12 112.91 117.65 2hfi h THR 10 Ca 0.26 -0.65 0.07 0.00 0.77 0.00 0.00 66.41 66.87 2hfi h THR 10 Cb 0.20 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 68.04 2hfi h THR 10 CO -0.02 0.18 0.29 -0.33 0.37 0.00 0.00 175.52 176.01 2hfi h GLU 11 N -0.10 0.52 -0.51 6.66 4.39 0.02 -1.03 114.58 124.54 2hfi h GLU 11 Ca 0.02 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 2hfi h GLU 11 Cb 0.27 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2hfi h GLU 11 CO 0.00 0.34 0.11 0.37 -1.16 0.00 0.00 179.01 178.68 2hfi h GLN 12 N 0.54 0.82 -0.95 2.33 4.15 -0.25 -2.03 115.11 119.73 2hfi h GLN 12 Ca 0.29 -0.20 0.01 0.00 0.77 0.00 0.00 58.65 59.51 2hfi h GLN 12 Cb 0.27 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 2hfi h GLN 12 CO -0.23 0.80 0.62 0.52 -1.93 0.00 0.00 178.83 178.61 2hfi h MET 13 N 0.71 1.25 -0.37 1.69 2.86 -0.40 0.31 114.93 120.98 2hfi h MET 13 Ca 0.16 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2hfi h MET 13 Cb 0.35 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2hfi h MET 13 CO 0.00 0.83 0.24 0.82 1.06 0.00 0.00 176.91 179.87 2hfi h ILE 14 N 1.29 1.09 -0.58 -1.22 2.04 -0.95 -0.77 117.51 118.41 2hfi h ILE 14 Ca 0.35 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.96 2hfi h ILE 14 Cb -0.14 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 2hfi h ILE 14 CO -0.07 0.09 0.09 -0.08 0.00 0.00 0.00 178.15 178.18 2hfi h GLU 15 N 0.50 0.97 -0.70 2.37 4.81 -0.67 -1.55 114.58 120.32 2hfi h GLU 15 Ca 0.13 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2hfi h GLU 15 Cb -0.06 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 2hfi h GLU 15 CO -0.03 0.93 0.45 0.28 -0.73 0.00 0.00 179.01 179.90 2hfi h VAL 16 N 0.87 1.12 -0.13 0.32 2.07 -0.11 0.28 116.25 120.67 2hfi h VAL 16 Ca 0.18 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2hfi h VAL 16 Cb 0.43 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2hfi h VAL 16 CO 0.01 0.16 0.07 0.00 0.02 0.00 0.00 177.57 177.83 2hfi h ALA 17 N 1.29 0.17 -0.64 1.67 0.00 -0.89 0.24 119.26 121.10 2hfi h ALA 17 Ca 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2hfi h ALA 17 Cb -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2hfi h ALA 17 CO -0.10 -0.29 0.33 0.93 0.00 0.00 0.00 179.25 180.12 2hfi h GLU 18 N 0.10 0.91 -0.31 0.00 5.08 -0.89 0.18 114.58 119.65 2hfi h GLU 18 Ca 0.05 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2hfi h GLU 18 Cb 0.09 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2hfi h GLU 18 CO -0.01 0.71 0.08 0.87 -1.00 0.00 0.00 179.01 179.67 2hfi h LYS 19 N 0.88 0.50 -0.62 2.33 1.79 -0.28 -2.69 116.57 118.47 2hfi h LYS 19 Ca 0.22 -0.12 -0.04 0.00 -2.18 0.00 0.00 60.65 58.54 2hfi h LYS 19 Cb 0.09 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 2hfi h LYS 19 CO -0.03 0.56 0.23 0.78 -1.08 0.00 0.00 179.45 179.90 2hfi h GLY 20 N 0.34 0.97 0.97 3.86 0.00 -0.26 0.10 103.07 109.07 2hfi h GLY 20 Ca 0.10 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2hfi h GLY 20 CO -0.00 0.49 0.15 0.00 0.00 0.00 0.00 176.54 177.18 2hfi h ALA 21 N 1.36 0.33 -0.30 3.60 0.00 -0.86 0.14 119.26 123.53 2hfi h ALA 21 Ca 0.21 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 2hfi h ALA 21 Cb 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2hfi h ALA 21 CO -0.02 -0.17 -0.44 0.22 0.00 0.00 0.00 179.25 178.84 2hfi h ASP 22 N 0.32 0.91 -0.69 0.00 3.58 -1.20 -2.56 116.42 116.78 2hfi h ASP 22 Ca 0.09 -0.51 0.00 0.00 0.42 0.00 0.00 57.03 57.04 2hfi h ASP 22 Cb 0.02 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 2hfi h ASP 22 CO -0.02 1.24 0.44 -0.09 -2.88 0.00 0.00 179.24 177.94 2hfi h ARG 23 N 0.60 0.91 -0.38 0.28 2.43 -0.65 -1.89 114.38 115.69 2hfi h ARG 23 Ca 0.03 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2hfi h ARG 23 Cb 1.04 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 2hfi h ARG 23 CO 0.10 0.62 0.07 -0.92 -1.51 0.00 0.00 179.97 178.34 2hfi h TYR 24 N 0.93 0.57 0.00 2.20 3.20 -0.64 -1.05 116.97 122.18 2hfi h TYR 24 Ca 0.25 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2hfi h TYR 24 Cb -0.08 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 2hfi h TYR 24 CO -0.02 0.51 -0.34 0.37 -1.64 0.00 0.00 178.16 177.04 2hfi h GLN 25 N 0.55 0.00 0.00 1.82 -0.00 -0.94 -1.49 115.11 115.05 2hfi h GLN 25 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.78 2hfi h GLN 25 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.72 2hfi h GLN 25 CO -0.00 0.34 -0.13 0.93 0.00 0.00 0.00 178.83 179.97 2hfi h GLU 26 N 0.00 0.00 -3.19 1.69 4.39 -0.64 -3.36 114.58 113.46 2hfi h GLU 26 Ca -0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 2hfi h GLU 26 Cb 0.73 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2hfi h GLU 26 CO 0.04 0.00 3.60 0.41 -1.16 0.00 0.00 179.01 181.90 2hfi n GLY 27 N 1.15 4.09 0.17 -3.84 0.00 -0.50 -4.56 105.19 101.71 2hfi n GLY 27 Ca 0.04 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.76 2hfi n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hfi h LYS 28 N 5.33 0.00 -5.30 1.61 1.57 -1.77 -3.43 116.57 114.58 2hfi h LYS 28 Ca 0.79 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.96 2hfi h LYS 28 Cb 0.31 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.49 2hfi h LYS 28 CO 1.76 0.00 -0.24 -0.80 -0.57 0.00 0.00 179.45 179.60 2hfi s ASN 29 N -5.46 6.34 0.00 0.86 0.01 -1.26 -4.89 114.94 110.55 2hfi s ASN 29 Ca 0.08 0.40 0.00 0.00 -0.71 0.00 0.00 52.86 52.63 2hfi s ASN 29 Cb 0.08 -2.21 0.00 0.00 0.41 0.00 0.00 41.25 39.53 2hfi s ASN 29 CO 0.63 -0.10 0.84 -0.24 -1.51 0.00 0.00 177.10 176.72 2hfi n SER 30 N 4.76 0.00 0.10 -1.22 2.88 -1.26 -4.84 113.62 114.03 2hfi n SER 30 Ca -0.09 -1.71 -0.16 0.00 -1.33 0.00 0.00 58.87 55.58 2hfi n SER 30 Cb 0.51 -0.14 -0.11 0.00 -0.75 0.00 0.00 64.21 63.72 2hfi n SER 30 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2hfi h ASN 31 N 0.00 0.54 -3.26 -3.46 -0.73 -2.00 -3.44 115.58 103.22 2hfi h ASN 31 Ca 0.00 -0.52 -0.67 0.00 1.87 0.00 0.00 56.30 56.98 2hfi h ASN 31 Cb 1.28 -0.17 -0.13 0.00 0.27 0.00 0.00 38.32 39.57 2hfi h ASN 31 CO 0.00 1.37 -0.61 -1.00 -0.37 0.00 0.00 177.43 176.81 2hfi s HIS 32 N -2.88 3.17 0.11 0.67 3.76 -1.26 -5.10 115.29 113.76 2hfi s HIS 32 Ca -0.05 0.17 -0.19 0.00 -0.15 0.00 0.00 55.06 54.84 2hfi s HIS 32 Cb 0.07 -1.74 -0.07 0.00 1.11 0.00 0.00 32.58 31.95 2hfi s HIS 32 CO 0.89 0.49 0.60 -1.12 -0.85 0.00 0.00 174.74 174.75 2hfi s SER 33 N -1.30 7.04 0.25 1.40 0.01 -1.26 -5.08 113.70 114.76 2hfi s SER 33 Ca 0.17 1.27 0.06 0.00 1.31 0.00 0.00 55.95 58.76 2hfi s SER 33 Cb -0.12 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 2hfi s SER 33 CO 0.07 0.21 0.28 -0.47 0.41 0.00 0.00 173.24 173.75 2hfi s TYR 34 N -1.23 3.27 0.28 2.43 5.04 -1.26 -5.10 117.35 120.78 2hfi s TYR 34 Ca 0.33 -0.07 -0.23 0.00 -2.44 0.00 0.00 57.07 54.66 2hfi s TYR 34 Cb -0.19 -1.50 -0.09 0.00 0.35 0.00 0.00 41.96 40.53 2hfi s TYR 34 CO 0.20 0.47 0.84 -0.51 -1.34 0.00 0.00 175.55 175.21 2hfi s ASP 35 N -3.92 7.19 -1.18 4.32 1.01 -1.26 -4.97 116.67 117.86 2hfi s ASP 35 Ca 0.34 1.63 -0.21 0.00 0.71 0.00 0.00 52.55 55.02 2hfi s ASP 35 Cb -0.08 -2.50 0.02 0.00 1.01 0.00 0.00 42.92 41.36 2hfi s ASP 35 CO 0.27 -0.04 1.74 -0.36 0.21 0.00 0.00 175.17 176.99 2hfi s PHE 36 N -1.60 2.45 0.31 4.23 0.40 -1.26 -4.83 117.98 117.68 2hfi s PHE 36 Ca 0.48 -0.78 -0.18 0.00 -0.60 0.00 0.00 56.93 55.84 2hfi s PHE 36 Cb -0.17 -4.51 0.05 0.00 0.51 0.00 0.00 43.02 38.90 2hfi s PHE 36 CO 0.22 -1.70 0.83 0.12 0.70 0.00 0.00 175.22 175.39 2hfi s PHE 37 N 6.43 0.04 0.00 0.36 5.36 -1.26 -4.71 117.98 124.20 2hfi s PHE 37 Ca 0.57 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.94 2hfi s PHE 37 Cb 0.01 0.78 0.00 0.00 -0.34 0.00 0.00 43.02 43.47 2hfi s PHE 37 CO 0.04 -1.35 0.00 -1.91 -1.46 0.00 0.00 175.22 170.55 2hfi n GLU 38 N -0.54 0.00 -0.24 10.12 2.13 -1.26 -2.44 120.64 128.41 2hfi n GLU 38 Ca -0.06 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.87 2hfi n GLU 38 Cb 0.60 0.00 0.27 0.00 0.27 0.00 0.00 31.44 32.57 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 0.63 -0.08 6.31 -2.24 -1.26 -4.29 114.28 113.34 2hfi n THR 39 Ca 0.00 -0.75 -0.17 0.00 -2.27 0.00 0.00 64.05 60.86 2hfi n THR 39 Cb 0.00 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.32 0.90 0.39 2.28 5.41 -1.02 -4.57 119.36 124.07 2hfi n ILE 40 Ca 0.20 -0.24 -0.15 0.00 1.00 0.00 0.00 62.75 63.56 2hfi n ILE 40 Cb 0.55 -1.64 -0.07 0.00 -0.71 0.00 0.00 39.64 37.77 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 -0.51 -0.96 0.00 0.38 3.64 -1.76 -3.08 116.57 114.27 2hfi h LYS 41 Ca -0.41 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2hfi h LYS 41 Cb 1.38 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.42 2hfi h LYS 41 CO -0.23 -0.64 0.00 -1.00 -2.27 0.00 0.00 179.45 175.31 2hfi h PRO 42 N -1.03 0.00 -0.20 1.90 0.13 -1.89 -2.83 132.00 128.09 2hfi h PRO 42 Ca -0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.90 2hfi h PRO 42 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2hfi h PRO 42 CO 0.17 0.00 -0.42 0.00 -0.23 0.00 0.00 178.00 177.52 2hfi h ALA 43 N 2.13 0.91 0.29 -0.56 0.00 -1.79 -2.79 119.26 117.46 2hfi h ALA 43 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2hfi h ALA 43 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2hfi h ALA 43 CO 0.00 0.64 -0.14 0.28 0.00 0.00 0.00 179.25 180.02 2hfi h VAL 44 N 0.38 0.74 -0.71 0.00 2.07 -1.42 -2.13 116.25 115.18 2hfi h VAL 44 Ca 0.03 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.38 2hfi h VAL 44 Cb 0.90 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 2hfi h VAL 44 CO 0.08 0.05 0.39 -0.33 0.02 0.00 0.00 177.57 177.78 2hfi h GLU 45 N -0.52 0.69 0.88 1.57 5.08 -1.65 0.18 114.58 120.80 2hfi h GLU 45 Ca -0.04 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2hfi h GLU 45 Cb 0.39 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2hfi h GLU 45 CO 0.07 0.45 -0.42 1.49 -1.00 0.00 0.00 179.01 179.60 2hfi h GLU 46 N 0.71 -1.14 0.00 2.33 4.57 -1.43 -1.35 114.58 118.27 2hfi h GLU 46 Ca 0.33 0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.54 2hfi h GLU 46 Cb 0.24 0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2hfi h GLU 46 CO -0.21 -0.75 -0.21 -0.91 -1.18 0.00 0.00 179.01 175.75 2hfi h ASN 47 N -1.22 0.00 -0.09 1.04 2.35 -1.21 0.54 115.58 116.99 2hfi h ASN 47 Ca -0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2hfi h ASN 47 Cb 0.91 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 2hfi h ASN 47 CO 0.20 0.21 0.01 -0.78 -1.65 0.00 0.00 177.43 175.42 2hfi h ASP 48 N 0.00 0.15 -0.30 5.81 1.82 -0.54 0.30 116.42 123.66 2hfi h ASP 48 Ca -0.00 -0.29 0.04 0.00 -0.39 0.00 0.00 57.03 56.38 2hfi h ASP 48 Cb 0.55 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.49 2hfi h ASP 48 CO 0.03 0.40 0.09 -0.33 -1.61 0.00 0.00 179.24 177.82 2hfi h GLU 49 N -0.11 0.21 -0.10 0.28 4.39 -0.59 -0.83 114.58 117.82 2hfi h GLU 49 Ca 0.03 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.72 2hfi h GLU 49 Cb 0.33 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2hfi h GLU 49 CO 0.00 0.14 0.03 1.25 -1.16 0.00 0.00 179.01 179.27 2hfi h LEU 50 N 0.22 0.03 -0.80 1.33 5.85 -0.83 -1.40 115.31 119.70 2hfi h LEU 50 Ca 0.14 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2hfi h LEU 50 Cb 0.12 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2hfi h LEU 50 CO -0.15 0.03 0.51 0.00 -0.34 0.00 0.00 178.44 178.49 2hfi h ALA 51 N 1.07 1.02 0.13 1.25 0.00 -0.15 0.38 119.26 122.96 2hfi h ALA 51 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2hfi h ALA 51 Cb 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2hfi h ALA 51 CO -0.05 0.45 -0.06 0.00 0.00 0.00 0.00 179.25 179.59 2hfi h ALA 52 N 1.28 -0.18 -0.71 0.00 0.00 -0.97 0.06 119.26 118.74 2hfi h ALA 52 Ca 0.29 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2hfi h ALA 52 Cb -0.09 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2hfi h ALA 52 CO -0.06 -0.54 0.27 0.00 0.00 0.00 0.00 179.25 178.91 2hfi h ARG 53 N -0.29 1.06 -0.34 0.00 2.47 -0.95 -1.32 114.38 115.01 2hfi h ARG 53 Ca -0.02 -0.19 -0.05 0.00 -1.26 0.00 0.00 59.98 58.46 2hfi h ARG 53 Cb 0.23 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2hfi h ARG 53 CO 0.03 0.87 0.00 2.35 0.56 0.00 0.00 179.97 183.78 2hfi h TRP 54 N 1.03 0.66 -0.66 3.04 7.01 -0.12 -0.63 115.95 126.28 2hfi h TRP 54 Ca 0.24 -0.11 0.01 0.00 2.11 0.00 0.00 58.89 61.13 2hfi h TRP 54 Cb 0.22 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.08 2hfi h TRP 54 CO 0.02 0.72 0.43 0.00 -2.79 0.00 0.00 178.44 176.82 2hfi h ALA 55 N 0.86 0.83 -0.68 2.65 0.00 -0.73 0.21 119.26 122.40 2hfi h ALA 55 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2hfi h ALA 55 Cb 0.45 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2hfi h ALA 55 CO 0.02 0.27 0.42 0.93 0.00 0.00 0.00 179.25 180.89 2hfi h GLU 56 N 0.89 0.91 -0.18 0.00 5.08 -1.04 0.31 114.58 120.55 2hfi h GLU 56 Ca 0.24 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2hfi h GLU 56 Cb -0.10 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 28.96 2hfi h GLU 56 CO -0.05 0.63 -0.29 0.78 -1.00 0.00 0.00 179.01 179.08 2hfi h GLY 57 N 0.92 0.56 0.96 -3.84 0.00 -0.61 -1.91 103.07 99.15 2hfi h GLY 57 Ca 0.24 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2hfi h GLY 57 CO -0.05 0.56 0.16 0.00 0.00 0.00 0.00 176.54 177.22 2hfi h ALA 58 N 0.59 0.35 -0.41 3.60 0.00 -0.46 -2.32 119.26 120.61 2hfi h ALA 58 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2hfi h ALA 58 Cb 0.87 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2hfi h ALA 58 CO 0.07 -0.13 0.20 -0.07 0.00 0.00 0.00 179.25 179.32 2hfi h LEU 59 N 0.34 0.51 0.33 0.00 3.38 -0.96 -1.20 115.31 117.71 2hfi h LEU 59 Ca 0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2hfi h LEU 59 Cb 0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2hfi h LEU 59 CO -0.02 0.43 -0.18 -0.08 0.09 0.00 0.00 178.44 178.68 2hfi h GLU 60 N 0.58 -0.47 -0.35 1.13 4.57 -0.86 -1.37 114.58 117.81 2hfi h GLU 60 Ca 0.15 0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.24 2hfi h GLU 60 Cb 0.06 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2hfi h GLU 60 CO -0.02 -0.31 -0.28 -0.07 -1.18 0.00 0.00 179.01 177.15 2hfi h LEU 61 N -0.48 0.76 0.00 1.64 4.07 -1.01 -2.61 115.31 117.68 2hfi h LEU 61 Ca -0.04 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.63 2hfi h LEU 61 Cb 0.39 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.92 2hfi h LEU 61 CO 0.05 0.99 -0.11 2.30 -1.08 0.00 0.00 178.44 180.60 2hfi n ILE 62 N -4.09 0.37 0.12 1.22 -5.35 -0.49 -0.94 119.36 110.19 2hfi n ILE 62 Ca -0.00 -0.19 -0.23 0.00 -0.27 0.00 0.00 62.75 62.05 2hfi n ILE 62 Cb 0.46 -0.46 -0.15 0.00 -1.74 0.00 0.00 39.64 37.75 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 0.46 -0.02 6.28 3.11 -1.01 -3.36 116.57 122.03 2hfi h LYS 63 Ca 0.00 -0.78 -0.25 0.00 -2.81 0.00 0.00 60.65 56.81 2hfi h LYS 63 Cb 0.66 0.29 0.02 0.00 -1.00 0.00 0.00 32.23 32.20 2hfi h LYS 63 CO 0.00 1.37 -0.97 0.28 -2.81 0.00 0.00 179.45 177.32 2hfi h VAL 64 N 0.13 1.29 -3.31 2.00 2.07 -1.40 -3.47 116.25 113.56 2hfi h VAL 64 Ca -0.27 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.06 2hfi h VAL 64 Cb 2.13 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 34.26 2hfi h VAL 64 CO 0.24 0.68 0.00 0.54 0.02 0.00 0.00 177.57 179.04 2hfi n ARG 65 N -3.91 2.51 -4.72 1.57 1.74 -0.12 -5.12 116.66 108.62 2hfi n ARG 65 Ca -0.11 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.66 2hfi n ARG 65 Cb 0.84 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 32.12 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 1.28 2.84 -0.18 5.56 3.00 -1.26 -4.73 118.95 125.45 2hfi s ARG 66 Ca 0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 55.73 54.65 2hfi s ARG 66 Cb 0.00 -2.29 -0.06 0.00 0.00 0.00 0.00 34.95 32.60 2hfi s ARG 66 CO 0.00 0.01 2.18 -2.30 0.00 0.00 0.00 175.30 175.19 2hfi n PRO 67 N 4.00 2.07 0.00 3.54 -0.02 -1.26 -4.91 135.00 138.42 2hfi n PRO 67 Ca -0.20 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2hfi n PRO 67 Cb 0.52 -3.16 0.00 0.00 -0.02 0.00 0.00 33.50 30.84 2hfi n PRO 67 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2hfi n LYS 68 N 8.50 0.00 -0.06 -0.52 4.81 -1.26 -4.67 118.16 124.97 2hfi n LYS 68 Ca 0.29 0.38 -0.03 0.00 -0.87 0.00 0.00 58.31 58.08 2hfi n LYS 68 Cb 0.43 -1.12 -0.01 0.00 0.02 0.00 0.00 35.03 34.35 2hfi n LYS 68 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2hfi h TYR 69 N 0.00 0.00 -3.96 5.64 0.05 -1.91 -3.47 116.97 113.32 2hfi h TYR 69 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 2hfi h TYR 69 Cb 0.00 0.00 0.08 0.00 1.01 0.00 0.00 36.73 37.82 2hfi h TYR 69 CO 0.08 0.00 0.60 0.54 -1.05 0.00 0.00 178.16 178.33 2hfi s VAL 70 N -1.88 2.64 0.06 -2.88 0.11 -1.26 -5.02 120.40 112.16 2hfi s VAL 70 Ca -0.08 0.55 -0.08 0.00 -2.93 0.00 0.00 61.98 59.43 2hfi s VAL 70 Cb 0.01 -3.32 -0.05 0.00 -1.53 0.00 0.00 36.38 31.49 2hfi s VAL 70 CO 0.12 0.06 0.36 -2.28 -3.33 0.00 0.00 175.10 170.03 2hfi s HIS 71 N -1.30 3.57 0.26 1.54 2.46 -1.26 -4.74 115.29 115.83 2hfi s HIS 71 Ca 0.59 0.70 -0.05 0.00 0.47 0.00 0.00 55.06 56.77 2hfi s HIS 71 Cb -0.37 -2.09 0.31 0.00 -0.13 0.00 0.00 32.58 30.30 2hfi s HIS 71 CO 0.47 0.54 1.92 -0.22 -2.47 0.00 0.00 174.74 174.98 2hfi h LYS 72 N 3.71 1.21 0.00 2.88 3.11 -1.95 -0.85 116.57 124.68 2hfi h LYS 72 Ca -0.49 -0.10 -0.02 0.00 -2.81 0.00 0.00 60.65 57.23 2hfi h LYS 72 Cb 1.19 -0.26 -0.00 0.00 -1.00 0.00 0.00 32.23 32.16 2hfi h LYS 72 CO 0.67 0.83 -0.10 0.93 -2.81 0.00 0.00 179.45 178.97 2hfi h GLU 73 N 1.24 0.00 -0.30 1.90 3.07 -2.00 -2.14 114.58 116.34 2hfi h GLU 73 Ca 0.33 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.10 2hfi h GLU 73 Cb -0.08 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 2hfi h GLU 73 CO -0.06 0.10 -0.13 1.96 -1.40 0.00 0.00 179.01 179.48 2hfi h GLN 74 N 0.00 0.62 -0.96 2.33 4.20 -1.56 -2.84 115.11 116.90 2hfi h GLN 74 Ca -0.00 -0.26 0.04 0.00 0.06 0.00 0.00 58.65 58.49 2hfi h GLN 74 Cb 0.18 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 2hfi h GLN 74 CO 0.01 0.84 0.62 0.82 -0.67 0.00 0.00 178.83 180.45 2hfi h ILE 75 N 0.38 1.14 -0.65 2.54 2.04 -1.15 0.37 117.51 122.18 2hfi h ILE 75 Ca 0.07 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 2hfi h ILE 75 Cb 0.64 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2hfi h ILE 75 CO 0.04 0.22 0.31 -0.33 0.00 0.00 0.00 178.15 178.38 2hfi h GLU 76 N 1.19 0.93 -0.02 2.37 5.08 -1.42 -2.66 114.58 120.04 2hfi h GLU 76 Ca 0.39 -0.12 -0.21 0.00 -1.00 0.00 0.00 59.36 58.42 2hfi h GLU 76 Cb 0.04 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2hfi h GLU 76 CO -0.13 0.72 -0.87 0.00 -1.00 0.00 0.00 179.01 177.72 2hfi h ALA 77 N 1.42 0.44 -0.68 3.43 0.00 -1.00 -3.20 119.26 119.67 2hfi h ALA 77 Ca 0.23 -0.68 0.03 0.00 0.00 0.00 0.00 54.91 54.49 2hfi h ALA 77 Cb 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2hfi h ALA 77 CO -0.03 0.81 0.45 0.28 0.00 0.00 0.00 179.25 180.76 2hfi h VAL 78 N 0.23 1.10 -0.23 0.00 2.07 -0.63 -0.23 116.25 118.56 2hfi h VAL 78 Ca -0.06 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.23 2hfi h VAL 78 Cb 1.49 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 2hfi h VAL 78 CO 0.15 0.15 -0.16 0.50 0.02 0.00 0.00 177.57 178.23 2hfi h LYS 79 N 0.82 -0.14 -0.04 1.57 3.64 -1.50 0.25 116.57 121.17 2hfi h LYS 79 Ca 0.27 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.51 2hfi h LYS 79 Cb 0.06 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2hfi h LYS 79 CO -0.08 -0.09 -0.58 0.22 -2.27 0.00 0.00 179.45 176.66 2hfi h ASP 80 N -0.14 0.57 -0.07 4.20 3.58 -1.56 -3.06 116.42 119.93 2hfi h ASP 80 Ca 0.13 -0.71 -0.01 0.00 0.42 0.00 0.00 57.03 56.85 2hfi h ASP 80 Cb 0.34 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2hfi h ASP 80 CO -0.32 1.21 0.02 0.78 -2.88 0.00 0.00 179.24 178.04 2hfi h ASN 81 N -0.01 0.16 -0.01 2.28 4.21 -0.88 0.41 115.58 121.74 2hfi h ASN 81 Ca -0.06 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.43 2hfi h ASN 81 Cb 1.26 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2hfi h ASN 81 CO 0.12 0.18 -0.00 0.15 -1.29 0.00 0.00 177.43 176.58 2hfi h PHE 82 N 0.18 0.02 -0.28 1.19 3.57 -0.49 0.21 116.94 121.34 2hfi h PHE 82 Ca 0.04 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 2hfi h PHE 82 Cb 0.10 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2hfi h PHE 82 CO 0.00 0.34 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.15 2hfi h LEU 83 N -0.30 0.51 -0.39 0.59 3.38 -1.33 -2.52 115.31 115.24 2hfi h LEU 83 Ca 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2hfi h LEU 83 Cb 0.33 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2hfi h LEU 83 CO 0.00 0.72 0.24 -0.08 0.09 0.00 0.00 178.44 179.41 2hfi h GLU 84 N 0.46 0.53 -0.67 1.13 4.57 -0.05 0.36 114.58 120.92 2hfi h GLU 84 Ca 0.07 -0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.33 2hfi h GLU 84 Cb 0.61 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 29.00 2hfi h GLU 84 CO 0.04 0.39 0.24 1.25 -1.18 0.00 0.00 179.01 179.75 2hfi h LEU 85 N 0.52 0.21 -0.32 1.64 6.46 -0.15 0.46 115.31 124.12 2hfi h LEU 85 Ca 0.14 0.10 -0.05 0.00 -0.12 0.00 0.00 57.88 57.95 2hfi h LEU 85 Cb -0.01 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 2hfi h LEU 85 CO -0.03 0.10 0.02 0.58 -0.62 0.00 0.00 178.44 178.49 2hfi h VAL 86 N 0.40 1.25 0.29 1.05 2.07 -1.23 -2.82 116.25 117.27 2hfi h VAL 86 Ca 0.35 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2hfi h VAL 86 Cb 0.49 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2hfi h VAL 86 CO -0.36 0.30 -0.14 0.25 0.02 0.00 0.00 177.57 177.63 2hfi h LEU 87 N 0.36 -0.33 0.00 2.57 5.85 0.85 -2.75 115.31 121.86 2hfi h LEU 87 Ca 0.09 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2hfi h LEU 87 Cb 0.41 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2hfi h LEU 87 CO 0.01 -0.06 0.00 0.00 -0.34 0.00 0.00 178.44 178.05 2hfi n GLN 88 N -5.17 0.03 0.24 1.25 -0.00 0.14 -0.89 117.38 112.97 2hfi n GLN 88 Ca -0.10 0.25 0.13 0.00 -0.00 0.00 0.00 57.00 57.27 2hfi n GLN 88 Cb 0.24 -1.50 0.48 0.00 -0.00 0.00 0.00 30.24 29.45 2hfi n GLN 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2hfi h SER 89 N 0.00 0.00 0.00 2.61 0.87 -1.21 -1.13 113.55 114.69 2hfi h SER 89 Ca 0.00 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.34 2hfi h SER 89 Cb 0.23 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 2hfi h SER 89 CO 0.00 0.13 -1.64 -1.22 -0.53 0.00 0.00 176.83 173.56 2hfi n TYR 90 N -3.23 0.00 0.24 2.24 4.01 -0.07 -4.63 117.16 115.72 2hfi n TYR 90 Ca 0.01 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.88 2hfi n TYR 90 Cb 0.42 -0.62 0.43 0.00 -0.31 0.00 0.00 39.34 39.25 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 -0.77 0.18 -3.56 -0.72 -1.51 -1.32 -3.47 116.25 105.07 2hfi h VAL 91 Ca -0.33 -0.92 -0.40 0.00 -1.23 0.00 0.00 66.70 63.82 2hfi h VAL 91 Cb 1.20 1.78 0.02 0.00 -2.13 0.00 0.00 31.29 32.16 2hfi h VAL 91 CO -0.20 0.08 -0.55 1.41 -1.23 0.00 0.00 177.57 177.08 2hfi n HIS 92 N -3.16 -1.41 -1.47 5.19 8.25 -0.43 -4.87 115.22 117.33 2hfi n HIS 92 Ca 0.02 0.24 -0.36 0.00 -0.26 0.00 0.00 57.72 57.36 2hfi n HIS 92 Cb 0.43 -4.13 -0.04 0.00 1.12 0.00 0.00 29.99 27.38 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 -4.24 2.16 -4.23 4.41 1.44 -1.26 -4.83 115.22 108.67 2hfi n HIS 93 Ca -0.18 -2.79 -0.17 0.00 -2.01 0.00 0.00 57.72 52.57 2hfi n HIS 93 Cb 0.65 -2.17 -0.07 0.00 0.12 0.00 0.00 29.99 28.53 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 2.83 0.00 -3.28 0.61 -5.35 -1.26 -5.07 119.36 107.85 2hfi n ILE 94 Ca 0.69 -2.12 -0.25 0.00 -0.27 0.00 0.00 62.75 60.80 2hfi n ILE 94 Cb 0.33 1.08 -0.07 0.00 -1.74 0.00 0.00 39.64 39.23 2hfi n ILE 94 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2hfi n HIS 95 N -0.56 1.27 0.00 4.28 8.25 -1.26 -5.03 115.22 122.17 2hfi n HIS 95 Ca 0.06 -3.80 0.00 0.00 -0.26 0.00 0.00 57.72 53.72 2hfi n HIS 95 Cb 0.54 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.21 2hfi n HIS 95 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2hfi n LYS 96 N 1.15 0.00 0.25 -0.41 3.00 -1.26 -3.64 118.16 117.25 2hfi n LYS 96 Ca 0.25 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.64 2hfi n LYS 96 Cb 0.48 0.00 0.62 0.00 0.00 0.00 0.00 35.03 36.14 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 0.00 -0.09 1.64 1.63 -2.02 -1.99 116.57 115.74 2hfi h LYS 97 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2hfi h LYS 97 Cb 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2hfi h LYS 97 CO 0.00 0.08 0.04 -0.09 -3.45 0.00 0.00 179.45 176.03 2hfi h ARG 98 N 0.00 0.12 -0.12 1.90 2.43 -1.96 -1.91 114.38 114.84 2hfi h ARG 98 Ca -0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2hfi h ARG 98 Cb 0.15 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2hfi h ARG 98 CO 0.01 0.09 0.04 0.35 -1.51 0.00 0.00 179.97 178.95 2hfi h PHE 99 N 0.12 0.19 -0.27 2.20 3.57 -1.68 -1.40 116.94 119.67 2hfi h PHE 99 Ca 0.03 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2hfi h PHE 99 Cb 0.01 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2hfi h PHE 99 CO 0.00 0.32 -0.21 0.87 -2.23 0.00 0.00 178.31 177.07 2hfi h LYS 100 N 0.00 0.49 0.05 1.11 6.56 -1.57 -0.56 116.57 122.67 2hfi h LYS 100 Ca 0.04 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 2hfi h LYS 100 Cb 0.22 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 31.84 2hfi h LYS 100 CO -0.00 0.68 -0.05 0.22 -2.06 0.00 0.00 179.45 178.24 2hfi h ASP 101 N 0.44 -0.12 -0.37 0.86 1.82 -1.12 0.21 116.42 118.15 2hfi h ASP 101 Ca 0.07 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 2hfi h ASP 101 Cb 0.61 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 2hfi h ASP 101 CO 0.04 -0.08 0.19 0.40 -1.61 0.00 0.00 179.24 178.19 2hfi h ILE 102 N -0.11 1.15 -0.06 2.25 2.04 -1.04 -0.18 117.51 121.57 2hfi h ILE 102 Ca 0.00 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.46 2hfi h ILE 102 Cb 0.10 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2hfi h ILE 102 CO -0.01 0.16 -0.05 0.74 0.00 0.00 0.00 178.15 178.99 2hfi h THR 103 N 0.46 0.86 -0.39 -0.27 2.02 -0.87 -1.74 112.91 112.97 2hfi h THR 103 Ca 0.13 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 2hfi h THR 103 Cb 0.08 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2hfi h THR 103 CO -0.02 0.00 0.20 -0.08 0.37 0.00 0.00 175.52 175.99 2hfi h GLU 104 N -0.05 0.56 -0.88 6.66 4.22 -0.45 -0.45 114.58 124.19 2hfi h GLU 104 Ca 0.04 -0.08 0.08 0.00 0.08 0.00 0.00 59.36 59.49 2hfi h GLU 104 Cb 0.11 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 2hfi h GLU 104 CO -0.09 0.48 0.53 0.77 -2.18 0.00 0.00 179.01 178.52 2hfi h SER 105 N 0.50 0.80 0.07 1.04 0.02 -0.77 0.34 113.55 115.56 2hfi h SER 105 Ca 0.14 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2hfi h SER 105 Cb 0.09 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2hfi h SER 105 CO -0.02 0.48 -0.03 0.58 -1.14 0.00 0.00 176.83 176.70 2hfi h VAL 106 N 0.92 1.21 -0.64 2.27 2.07 -0.98 -3.15 116.25 117.95 2hfi h VAL 106 Ca 0.40 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 2hfi h VAL 106 Cb 0.29 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 2hfi h VAL 106 CO -0.21 0.27 0.28 -0.07 0.02 0.00 0.00 177.57 177.85 2hfi h LEU 107 N -0.60 0.84 -0.41 2.57 3.38 -0.74 -1.16 115.31 119.19 2hfi h LEU 107 Ca -0.01 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.91 2hfi h LEU 107 Cb 0.51 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2hfi h LEU 107 CO 0.02 0.74 0.12 0.22 0.09 0.00 0.00 178.44 179.63 2hfi h TYR 108 N 0.92 0.21 -0.39 1.13 3.20 -0.41 0.12 116.97 121.75 2hfi h TYR 108 Ca 0.22 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 2hfi h TYR 108 Cb 0.14 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2hfi h TYR 108 CO 0.01 0.07 -0.11 1.15 -1.64 0.00 0.00 178.16 177.64 2hfi h THR 109 N 0.27 1.28 -1.00 1.81 2.02 -1.41 -2.81 112.91 113.07 2hfi h THR 109 Ca 0.19 -1.20 0.04 0.00 0.77 0.00 0.00 66.41 66.21 2hfi h THR 109 Cb 0.20 1.24 -0.06 0.00 -1.74 0.00 0.00 68.15 67.80 2hfi h THR 109 CO -0.22 0.40 0.66 -0.07 0.37 0.00 0.00 175.52 176.66 2hfi h LEU 110 N 0.57 1.10 -0.88 2.58 3.38 -0.68 -1.50 115.31 119.88 2hfi h LEU 110 Ca 0.10 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2hfi h LEU 110 Cb 0.63 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2hfi h LEU 110 CO 0.04 0.76 0.05 0.45 0.09 0.00 0.00 178.44 179.82 2hfi h HIS 111 N 1.28 0.93 -0.42 1.13 3.86 -0.89 0.00 115.15 121.04 2hfi h HIS 111 Ca 0.40 -0.12 -0.12 0.00 -1.16 0.00 0.00 60.37 59.36 2hfi h HIS 111 Cb -0.01 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 2hfi h HIS 111 CO -0.00 0.82 -0.23 0.00 0.86 0.00 0.00 177.93 179.38 2hfi h ALA 112 N 1.22 0.80 -0.05 2.45 0.00 -1.04 -1.92 119.26 120.72 2hfi h ALA 112 Ca 0.16 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 2hfi h ALA 112 Cb 0.43 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2hfi h ALA 112 CO 0.01 0.65 -0.79 0.28 0.00 0.00 0.00 179.25 179.40 2hfi h VAL 113 N 0.74 1.33 -0.79 0.00 2.07 -1.18 -3.10 116.25 115.31 2hfi h VAL 113 Ca 0.10 -2.07 0.07 0.00 0.82 0.00 0.00 66.70 65.62 2hfi h VAL 113 Cb 0.77 2.31 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 2hfi h VAL 113 CO 0.06 0.63 0.46 0.50 0.02 0.00 0.00 177.57 179.25 2hfi h LYS 114 N 0.27 0.80 -0.49 1.57 3.11 -0.88 -1.58 116.57 119.37 2hfi h LYS 114 Ca -0.08 -0.05 -0.10 0.00 -2.81 0.00 0.00 60.65 57.61 2hfi h LYS 114 Cb 1.45 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 32.49 2hfi h LYS 114 CO 0.16 0.53 -0.07 0.22 -2.81 0.00 0.00 179.45 177.48 2hfi h ASP 115 N 0.82 0.91 -0.74 4.20 3.58 -1.40 -2.75 116.42 121.03 2hfi h ASP 115 Ca 0.36 -0.34 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 2hfi h ASP 115 Cb 0.26 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 2hfi h ASP 115 CO -0.21 1.03 0.32 -0.33 -2.88 0.00 0.00 179.24 177.18 2hfi h GLU 116 N 0.77 1.09 -0.54 0.28 4.39 -1.32 0.13 114.58 119.37 2hfi h GLU 116 Ca 0.13 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2hfi h GLU 116 Cb 0.61 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 2hfi h GLU 116 CO 0.04 0.88 0.31 0.82 -1.16 0.00 0.00 179.01 179.90 2hfi h ILE 117 N 1.06 1.17 -0.04 3.13 2.04 -1.19 -0.77 117.51 122.91 2hfi h ILE 117 Ca 0.25 -0.42 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 2hfi h ILE 117 Cb 0.17 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2hfi h ILE 117 CO -0.03 0.18 -0.47 0.00 0.00 0.00 0.00 178.15 177.83 2hfi h ALA 118 N 1.15 1.15 -0.04 1.87 0.00 -1.22 -2.50 119.26 119.66 2hfi h ALA 118 Ca 0.19 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2hfi h ALA 118 Cb 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2hfi h ALA 118 CO -0.03 0.61 -0.00 -0.09 0.00 0.00 0.00 179.25 179.73 2hfi h ARG 119 N 0.07 0.08 0.00 0.00 2.43 -0.34 -3.17 114.38 113.46 2hfi h ARG 119 Ca 0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2hfi h ARG 119 Cb 0.86 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2hfi h ARG 119 CO 0.07 0.40 -0.15 0.93 -1.51 0.00 0.00 179.97 179.70 2hfi h GLU 120 N -0.24 0.00 -4.02 0.20 4.39 -1.15 -3.49 114.58 110.27 2hfi h GLU 120 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2hfi h GLU 120 Cb 0.36 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 2hfi h GLU 120 CO 0.00 0.15 -0.85 -3.47 -1.16 0.00 0.00 179.01 173.68 2hfi n ASP 121 N -3.22 -3.57 -4.53 1.42 2.03 -0.95 -4.88 116.55 102.86 2hfi n ASP 121 Ca 0.01 1.01 -0.42 0.00 0.52 0.00 0.00 54.79 55.92 2hfi n ASP 121 Cb 0.46 -3.72 -0.03 0.00 -0.72 0.00 0.00 41.12 37.12 2hfi n ASP 121 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2hfi s SER 122 N -0.41 6.23 0.00 1.67 0.01 -1.26 -5.08 113.70 114.87 2hfi s SER 122 Ca -0.10 -0.49 0.28 0.00 1.31 0.00 0.00 55.95 56.94 2hfi s SER 122 Cb 0.01 -2.51 0.96 0.00 0.21 0.00 0.00 66.02 64.69 2hfi s SER 122 CO 0.28 -1.62 1.69 -1.14 0.41 0.00 0.00 173.24 172.87