#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 0.22 -3.53 3.17 7.94 -1.26 -4.97 117.00 118.57 2hfi n LEU 2 Ca 0.00 -4.73 -0.23 0.00 -1.11 0.00 0.00 56.01 49.94 2hfi n LEU 2 Cb 0.00 0.71 0.05 0.00 0.53 0.00 0.00 43.42 44.71 2hfi n LEU 2 CO 0.00 2.19 -0.03 -1.20 -1.11 0.00 0.00 177.39 177.24 2hfi n SER 3 N 0.74 -4.56 -4.73 1.96 7.64 -1.26 -4.93 113.62 108.48 2hfi n SER 3 Ca 0.22 -0.85 -0.41 0.00 1.01 0.00 0.00 58.87 58.83 2hfi n SER 3 Cb 0.62 -4.24 -0.03 0.00 -1.01 0.00 0.00 64.21 59.54 2hfi n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hfi s GLN 4 N -5.42 4.51 -0.39 1.43 -2.07 -1.26 -4.95 119.66 111.50 2hfi s GLN 4 Ca 0.33 1.77 -0.29 0.00 -1.82 0.00 0.00 55.36 55.35 2hfi s GLN 4 Cb -0.08 -3.30 0.00 0.00 -1.09 0.00 0.00 33.01 28.54 2hfi s GLN 4 CO 0.80 -0.09 1.52 0.99 -1.32 0.00 0.00 175.29 177.19 2hfi s THR 5 N 0.32 3.77 0.38 3.63 2.01 -1.26 -4.86 115.64 119.64 2hfi s THR 5 Ca 0.54 0.78 0.05 0.00 0.31 0.00 0.00 61.69 63.38 2hfi s THR 5 Cb -0.30 -4.05 0.27 0.00 0.01 0.00 0.00 72.50 68.43 2hfi s THR 5 CO 0.33 -0.67 2.03 0.25 -0.69 0.00 0.00 174.62 175.87 2hfi h LEU 6 N 12.66 0.58 -0.47 4.42 5.85 -2.00 -1.97 115.31 134.38 2hfi h LEU 6 Ca -0.29 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.47 2hfi h LEU 6 Cb 1.12 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 2hfi h LEU 6 CO 1.07 0.41 0.20 0.25 -0.34 0.00 0.00 178.44 180.04 2hfi h LEU 7 N 0.68 0.25 -0.99 2.25 5.85 -1.98 -0.88 115.31 120.50 2hfi h LEU 7 Ca 0.20 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 2hfi h LEU 7 Cb -0.02 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2hfi h LEU 7 CO -0.05 0.18 0.15 -0.33 -0.34 0.00 0.00 178.44 178.06 2hfi h GLU 8 N 0.40 0.89 -0.25 1.25 4.39 -1.76 0.25 114.58 119.75 2hfi h GLU 8 Ca 0.22 -0.18 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 2hfi h GLU 8 Cb 0.18 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2hfi h GLU 8 CO -0.19 0.78 -0.44 1.98 -1.16 0.00 0.00 179.01 179.98 2hfi h MET 9 N 0.85 0.63 -0.42 2.33 4.05 -1.25 -1.59 114.93 119.53 2hfi h MET 9 Ca 0.19 -0.34 -0.03 0.00 -0.28 0.00 0.00 59.70 59.23 2hfi h MET 9 Cb 0.29 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 2hfi h MET 9 CO -0.00 0.95 0.13 1.15 0.23 0.00 0.00 176.91 179.36 2hfi h THR 10 N 0.51 1.22 -0.29 -0.77 2.02 -0.48 -1.69 112.91 113.43 2hfi h THR 10 Ca 0.03 -0.73 0.06 0.00 0.77 0.00 0.00 66.41 66.55 2hfi h THR 10 Cb 0.97 0.91 -0.07 0.00 -1.74 0.00 0.00 68.15 68.22 2hfi h THR 10 CO 0.09 0.26 -0.14 -0.33 0.37 0.00 0.00 175.52 175.76 2hfi h GLU 11 N 0.53 -0.10 -0.66 6.66 4.39 -0.27 0.21 114.58 125.34 2hfi h GLU 11 Ca 0.13 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.85 2hfi h GLU 11 Cb 0.27 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 2hfi h GLU 11 CO -0.00 -0.07 0.43 0.37 -1.16 0.00 0.00 179.01 178.58 2hfi h GLN 12 N -0.10 0.86 -0.60 2.33 4.15 -1.18 -1.27 115.11 119.30 2hfi h GLN 12 Ca 0.15 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 2hfi h GLN 12 Cb 0.33 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2hfi h GLN 12 CO -0.35 0.57 0.13 1.98 -1.93 0.00 0.00 178.83 179.22 2hfi h MET 13 N 0.89 0.95 -0.33 1.69 4.05 -0.53 -1.76 114.93 119.89 2hfi h MET 13 Ca 0.24 -0.22 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2hfi h MET 13 Cb -0.10 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.55 2hfi h MET 13 CO -0.05 0.86 0.20 0.82 0.23 0.00 0.00 176.91 178.96 2hfi h ILE 14 N 0.90 1.11 -0.89 1.77 2.04 -0.10 -2.26 117.51 120.10 2hfi h ILE 14 Ca 0.19 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2hfi h ILE 14 Cb 0.35 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 2hfi h ILE 14 CO 0.00 0.11 0.53 -0.08 0.00 0.00 0.00 178.15 178.71 2hfi h GLU 15 N 0.42 1.21 -0.70 2.37 4.81 -0.78 -0.33 114.58 121.58 2hfi h GLU 15 Ca 0.12 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2hfi h GLU 15 Cb 0.01 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 2hfi h GLU 15 CO -0.02 0.85 0.17 0.28 -0.73 0.00 0.00 179.01 179.55 2hfi h VAL 16 N 1.23 1.26 -0.39 0.32 2.07 -1.12 0.22 116.25 119.84 2hfi h VAL 16 Ca 0.32 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2hfi h VAL 16 Cb -0.04 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2hfi h VAL 16 CO -0.06 0.37 0.12 0.00 0.02 0.00 0.00 177.57 178.03 2hfi h ALA 17 N 1.08 0.51 -0.17 1.67 0.00 -0.78 0.30 119.26 121.88 2hfi h ALA 17 Ca 0.22 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2hfi h ALA 17 Cb 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2hfi h ALA 17 CO 0.00 0.16 0.05 0.93 0.00 0.00 0.00 179.25 180.39 2hfi h GLU 18 N 0.49 0.12 0.00 0.00 4.39 -0.81 -2.46 114.58 116.31 2hfi h GLU 18 Ca 0.13 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 2hfi h GLU 18 Cb 0.26 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2hfi h GLU 18 CO -0.00 0.08 -0.14 0.87 -1.16 0.00 0.00 179.01 178.66 2hfi h LYS 19 N 0.12 0.00 -0.20 2.33 1.79 -0.36 0.22 116.57 120.47 2hfi h LYS 19 Ca 0.07 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 2hfi h LYS 19 Cb 0.05 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2hfi h LYS 19 CO -0.08 0.14 0.03 0.78 -1.08 0.00 0.00 179.45 179.23 2hfi h GLY 20 N 1.96 0.36 1.31 3.86 0.00 0.04 0.40 103.07 111.00 2hfi h GLY 20 Ca -0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 2hfi h GLY 20 CO 0.02 0.22 -0.25 0.00 0.00 0.00 0.00 176.54 176.54 2hfi h ALA 21 N 0.83 0.84 -0.84 3.60 0.00 -1.16 -2.54 119.26 119.99 2hfi h ALA 21 Ca 0.06 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.62 2hfi h ALA 21 Cb 0.32 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2hfi h ALA 21 CO 0.00 0.64 0.53 0.22 0.00 0.00 0.00 179.25 180.65 2hfi h ASP 22 N 0.68 0.88 -0.27 0.00 1.82 -0.84 0.23 116.42 118.92 2hfi h ASP 22 Ca 0.09 -0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.68 2hfi h ASP 22 Cb 0.77 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.57 2hfi h ASP 22 CO 0.06 0.60 0.03 -0.09 -1.61 0.00 0.00 179.24 178.23 2hfi h ARG 23 N 1.03 0.56 -0.17 0.28 9.65 0.12 0.22 114.38 126.08 2hfi h ARG 23 Ca 0.34 -0.11 -0.18 0.00 -1.10 0.00 0.00 59.98 58.93 2hfi h ARG 23 Cb 0.03 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.53 2hfi h ARG 23 CO -0.12 0.57 -0.62 -0.92 2.80 0.00 0.00 179.97 181.67 2hfi h TYR 24 N 0.54 0.76 -0.25 2.20 3.20 -1.01 -1.83 116.97 120.59 2hfi h TYR 24 Ca 0.12 -0.30 -0.02 0.00 3.14 0.00 0.00 58.73 61.68 2hfi h TYR 24 Cb 0.31 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2hfi h TYR 24 CO 0.01 1.06 0.09 0.37 -1.64 0.00 0.00 178.16 178.05 2hfi h GLN 25 N 0.44 0.38 0.50 1.82 4.15 0.16 -3.32 115.11 119.24 2hfi h GLN 25 Ca -0.01 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 2hfi h GLN 25 Cb 1.19 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.83 2hfi h GLN 25 CO 0.12 0.44 -0.24 0.93 -1.93 0.00 0.00 178.83 178.15 2hfi h GLU 26 N 0.24 -0.65 0.00 1.69 4.39 -0.64 -3.47 114.58 116.14 2hfi h GLU 26 Ca 0.08 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2hfi h GLU 26 Cb 0.22 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2hfi h GLU 26 CO -0.00 -0.43 0.00 0.41 -1.16 0.00 0.00 179.01 177.82 2hfi n GLY 27 N -0.10 1.70 2.63 -3.84 0.00 -0.69 -4.46 105.19 100.43 2hfi n GLY 27 Ca -0.08 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2hfi n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hfi n LYS 28 N 0.00 3.35 -0.05 1.61 5.02 -1.26 -4.75 118.16 122.08 2hfi n LYS 28 Ca 0.00 -4.36 -0.08 0.00 -2.02 0.00 0.00 58.31 51.85 2hfi n LYS 28 Cb 0.00 -2.26 0.08 0.00 -0.02 0.00 0.00 35.03 32.83 2hfi n LYS 28 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2hfi h ASN 29 N 2.78 0.72 -3.42 4.39 -0.73 -1.91 -3.45 115.58 113.96 2hfi h ASN 29 Ca 0.34 -0.30 -0.06 0.00 1.87 0.00 0.00 56.30 58.15 2hfi h ASN 29 Cb 0.66 -0.20 -0.23 0.00 0.27 0.00 0.00 38.32 38.82 2hfi h ASN 29 CO 0.98 1.00 -0.10 -0.94 -0.37 0.00 0.00 177.43 178.00 2hfi s SER 30 N -6.82 -0.68 0.03 1.15 1.04 -1.26 -5.02 113.70 102.13 2hfi s SER 30 Ca -0.09 1.19 0.24 0.00 0.48 0.00 0.00 55.95 57.77 2hfi s SER 30 Cb 0.12 1.11 0.27 0.00 0.10 0.00 0.00 66.02 67.63 2hfi s SER 30 CO 0.84 -0.21 1.24 -0.46 0.98 0.00 0.00 173.24 175.62 2hfi n ASN 31 N 3.73 0.62 -4.95 7.02 0.23 -1.26 -4.35 115.26 116.29 2hfi n ASN 31 Ca -0.19 -0.27 -0.23 0.00 -0.53 0.00 0.00 54.58 53.37 2hfi n ASN 31 Cb 0.57 0.47 -0.00 0.00 -2.08 0.00 0.00 39.78 38.74 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 -3.08 3.34 0.00 -2.53 3.76 -1.26 -4.46 115.29 111.06 2hfi s HIS 32 Ca 0.08 0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.18 2hfi s HIS 32 Cb 0.16 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.82 2hfi s HIS 32 CO 0.75 -0.04 0.00 0.43 -0.85 0.00 0.00 174.74 175.03 2hfi n SER 33 N -1.84 0.00 -4.06 1.40 7.64 -1.26 -4.72 113.62 110.78 2hfi n SER 33 Ca -0.02 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.43 2hfi n SER 33 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2hfi n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hfi n TYR 34 N 0.00 3.90 -2.85 1.43 9.36 -1.26 -1.92 117.16 125.82 2hfi n TYR 34 Ca 0.00 -2.94 -0.11 0.00 3.32 0.00 0.00 57.90 58.16 2hfi n TYR 34 Cb 0.00 -2.47 0.05 0.00 -0.63 0.00 0.00 39.34 36.30 2hfi n TYR 34 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2hfi n ASP 35 N 6.43 -1.01 0.00 2.98 2.03 -1.26 -4.86 116.55 120.86 2hfi n ASP 35 Ca 0.48 -3.23 0.00 0.00 0.52 0.00 0.00 54.79 52.57 2hfi n ASP 35 Cb 0.41 0.83 0.00 0.00 -0.72 0.00 0.00 41.12 41.64 2hfi n ASP 35 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2hfi n PHE 36 N 0.15 0.00 -0.09 -0.67 7.35 -1.26 -3.96 117.46 118.98 2hfi n PHE 36 Ca 0.10 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.71 2hfi n PHE 36 Cb 0.72 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.54 2hfi n PHE 36 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 2hfi h PHE 37 N 0.00 0.40 0.00 -5.13 3.57 -1.87 0.66 116.94 114.58 2hfi h PHE 37 Ca 0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2hfi h PHE 37 Cb 0.00 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 2hfi h PHE 37 CO 0.00 0.27 -0.12 0.93 -2.23 0.00 0.00 178.31 177.16 2hfi h GLU 38 N 0.42 0.00 0.00 1.11 5.08 -1.70 -3.21 114.58 116.28 2hfi h GLU 38 Ca 0.11 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.23 2hfi h GLU 38 Cb -0.03 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 2hfi h GLU 38 CO -0.02 0.12 -1.94 -2.37 -1.00 0.00 0.00 179.01 173.80 2hfi n THR 39 N -4.02 0.94 -2.26 1.13 5.66 -0.81 -4.51 114.28 110.41 2hfi n THR 39 Ca -0.02 -0.38 -0.41 0.00 -3.05 0.00 0.00 64.05 60.19 2hfi n THR 39 Cb 0.20 -1.05 0.00 0.00 -1.55 0.00 0.00 70.33 67.94 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 -2.94 4.92 0.11 1.09 2.08 0.23 -3.43 119.36 121.41 2hfi n ILE 40 Ca -0.29 -4.59 0.00 0.00 0.56 0.00 0.00 62.75 58.44 2hfi n ILE 40 Cb 0.82 -2.17 0.00 0.00 -0.75 0.00 0.00 39.64 37.54 2hfi n ILE 40 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2hfi n LYS 41 N 2.50 0.00 -0.03 0.38 3.00 -1.23 -4.65 118.16 118.13 2hfi n LYS 41 Ca 0.49 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.65 2hfi n LYS 41 Cb 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.23 2hfi n LYS 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2hfi h PRO 42 N 0.00 0.23 -0.03 1.64 0.11 -1.79 -3.16 132.00 128.99 2hfi h PRO 42 Ca 0.00 -0.20 -0.04 0.00 0.11 0.00 0.00 66.00 65.87 2hfi h PRO 42 Cb 0.00 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2hfi h PRO 42 CO 0.00 0.86 -0.17 0.00 -0.21 0.00 0.00 178.00 178.48 2hfi h ALA 43 N 0.37 1.65 0.42 -0.75 0.00 -1.85 -2.42 119.26 116.68 2hfi h ALA 43 Ca -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2hfi h ALA 43 Cb 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2hfi h ALA 43 CO 0.05 0.26 -0.20 0.28 0.00 0.00 0.00 179.25 179.64 2hfi h VAL 44 N 0.05 0.57 -0.51 0.00 2.07 -1.71 -1.75 116.25 114.97 2hfi h VAL 44 Ca 0.01 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2hfi h VAL 44 Cb 0.34 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2hfi h VAL 44 CO 0.02 0.06 0.26 -0.33 0.02 0.00 0.00 177.57 177.60 2hfi h GLU 45 N -0.74 0.72 0.17 1.57 5.08 -1.49 0.10 114.58 119.98 2hfi h GLU 45 Ca -0.06 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2hfi h GLU 45 Cb 0.52 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2hfi h GLU 45 CO 0.09 0.58 -0.25 0.93 -1.00 0.00 0.00 179.01 179.36 2hfi h GLU 46 N 0.67 -0.46 -0.27 2.33 4.39 -1.44 -0.87 114.58 118.93 2hfi h GLU 46 Ca 0.18 0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.78 2hfi h GLU 46 Cb 0.08 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2hfi h GLU 46 CO -0.03 -0.31 -0.35 -0.91 -1.16 0.00 0.00 179.01 176.26 2hfi h ASN 47 N -0.48 0.62 0.01 1.42 2.35 -1.19 0.20 115.58 118.51 2hfi h ASN 47 Ca 0.02 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.54 2hfi h ASN 47 Cb 0.48 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 2hfi h ASN 47 CO -0.11 0.92 -0.19 -0.78 -1.65 0.00 0.00 177.43 175.61 2hfi h ASP 48 N 0.50 -0.56 0.52 5.81 3.58 -0.57 0.13 116.42 125.81 2hfi h ASP 48 Ca 0.05 0.08 -0.12 0.00 0.42 0.00 0.00 57.03 57.46 2hfi h ASP 48 Cb 0.84 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 42.10 2hfi h ASP 48 CO 0.07 -0.26 -0.57 -0.33 -2.88 0.00 0.00 179.24 175.28 2hfi h GLU 49 N -0.32 0.05 0.14 0.28 5.08 -1.04 -2.52 114.58 116.26 2hfi h GLU 49 Ca 0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2hfi h GLU 49 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2hfi h GLU 49 CO -0.17 0.60 -0.07 1.25 -1.00 0.00 0.00 179.01 179.62 2hfi h LEU 50 N 0.04 -0.16 -1.09 1.33 5.85 -0.07 0.27 115.31 121.48 2hfi h LEU 50 Ca -0.00 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2hfi h LEU 50 Cb 1.01 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2hfi h LEU 50 CO 0.08 0.04 0.38 0.00 -0.34 0.00 0.00 178.44 178.60 2hfi h ALA 51 N 0.48 1.30 0.11 1.25 0.00 -0.77 0.17 119.26 121.80 2hfi h ALA 51 Ca -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2hfi h ALA 51 Cb 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2hfi h ALA 51 CO 0.03 0.56 -0.05 0.00 0.00 0.00 0.00 179.25 179.79 2hfi h ALA 52 N 1.40 -0.15 -0.47 0.00 0.00 -1.20 -0.23 119.26 118.59 2hfi h ALA 52 Ca 0.26 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2hfi h ALA 52 Cb 0.05 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2hfi h ALA 52 CO -0.04 -0.50 0.30 0.00 0.00 0.00 0.00 179.25 179.01 2hfi h ARG 53 N -0.32 0.60 -0.36 0.00 2.47 -0.13 0.65 114.38 117.29 2hfi h ARG 53 Ca -0.02 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 2hfi h ARG 53 Cb 0.27 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 2hfi h ARG 53 CO 0.03 0.40 0.17 2.35 0.56 0.00 0.00 179.97 183.47 2hfi h TRP 54 N 0.62 0.52 -0.66 3.04 7.01 -0.63 0.79 115.95 126.63 2hfi h TRP 54 Ca 0.18 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.18 2hfi h TRP 54 Cb -0.04 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 26.81 2hfi h TRP 54 CO -0.05 0.44 0.41 0.00 -2.79 0.00 0.00 178.44 176.45 2hfi h ALA 55 N 1.02 0.86 -0.14 2.65 0.00 -0.70 0.12 119.26 123.07 2hfi h ALA 55 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2hfi h ALA 55 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2hfi h ALA 55 CO -0.02 0.17 0.09 0.93 0.00 0.00 0.00 179.25 180.42 2hfi h GLU 56 N 0.80 0.19 -0.71 0.00 5.08 -0.49 0.11 114.58 119.56 2hfi h GLU 56 Ca 0.27 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2hfi h GLU 56 Cb 0.02 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2hfi h GLU 56 CO -0.11 0.15 0.33 0.78 -1.00 0.00 0.00 179.01 179.16 2hfi h GLY 57 N 0.17 1.11 0.97 -3.84 0.00 -0.39 0.14 103.07 101.23 2hfi h GLY 57 Ca 0.05 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 2hfi h GLY 57 CO -0.01 0.54 0.01 0.00 0.00 0.00 0.00 176.54 177.07 2hfi h ALA 58 N 1.16 0.58 -0.41 3.60 0.00 -0.60 -1.44 119.26 122.14 2hfi h ALA 58 Ca 0.24 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2hfi h ALA 58 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2hfi h ALA 58 CO -0.03 0.36 -0.06 -0.07 0.00 0.00 0.00 179.25 179.46 2hfi h LEU 59 N 0.60 0.68 -0.58 0.00 3.38 -0.52 -1.48 115.31 117.38 2hfi h LEU 59 Ca 0.12 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2hfi h LEU 59 Cb 0.48 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2hfi h LEU 59 CO 0.02 0.78 0.20 -0.08 0.09 0.00 0.00 178.44 179.46 2hfi h GLU 60 N 0.65 0.89 -0.21 1.13 4.57 -0.53 -0.33 114.58 120.74 2hfi h GLU 60 Ca 0.12 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2hfi h GLU 60 Cb 0.49 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2hfi h GLU 60 CO 0.03 0.79 0.08 1.25 -1.18 0.00 0.00 179.01 179.97 2hfi h LEU 61 N 0.81 0.30 0.00 1.64 5.85 -0.85 -2.03 115.31 121.03 2hfi h LEU 61 Ca 0.19 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2hfi h LEU 61 Cb 0.25 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2hfi h LEU 61 CO -0.01 0.39 0.00 2.30 -0.34 0.00 0.00 178.44 180.78 2hfi n ILE 62 N -4.81 0.01 0.09 4.05 -5.35 -0.59 -2.04 119.36 110.71 2hfi n ILE 62 Ca -0.04 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.27 2hfi n ILE 62 Cb 0.13 -0.51 -0.14 0.00 -1.74 0.00 0.00 39.64 37.38 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 0.30 0.32 6.28 3.11 -0.41 -3.38 116.57 122.80 2hfi h LYS 63 Ca 0.00 -0.52 -0.02 0.00 -2.81 0.00 0.00 60.65 57.31 2hfi h LYS 63 Cb 0.11 0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.53 2hfi h LYS 63 CO 0.00 1.20 -0.15 0.28 -2.81 0.00 0.00 179.45 177.96 2hfi h VAL 64 N 0.08 0.62 -1.55 2.00 2.07 -0.78 -3.48 116.25 115.21 2hfi h VAL 64 Ca -0.22 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2hfi h VAL 64 Cb 2.03 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2hfi h VAL 64 CO 0.19 0.12 0.00 0.54 0.02 0.00 0.00 177.57 178.44 2hfi n ARG 65 N -5.12 0.64 -3.40 1.57 1.74 -1.04 -5.13 116.66 105.92 2hfi n ARG 65 Ca -0.09 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.66 2hfi n ARG 65 Cb 0.27 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.66 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 0.41 3.84 0.27 5.56 3.00 -1.26 -4.32 118.95 126.46 2hfi s ARG 66 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 55.73 55.76 2hfi s ARG 66 Cb 0.00 -2.69 -0.10 0.00 0.00 0.00 0.00 34.95 32.16 2hfi s ARG 66 CO 0.00 0.34 1.23 -2.14 0.00 0.00 0.00 175.30 174.73 2hfi s PRO 67 N -2.66 4.47 -0.15 3.54 0.02 -1.26 -4.93 135.00 134.01 2hfi s PRO 67 Ca 0.46 2.02 -0.14 0.00 0.02 0.00 0.00 61.00 63.36 2hfi s PRO 67 Cb -0.12 -3.15 -0.10 0.00 0.02 0.00 0.00 34.50 31.15 2hfi s PRO 67 CO 0.21 -0.06 0.09 0.87 -0.33 0.00 0.00 177.00 177.77 2hfi h LYS 68 N 4.10 0.00 0.00 5.54 1.79 -1.99 -3.46 116.57 122.55 2hfi h LYS 68 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2hfi h LYS 68 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2hfi h LYS 68 CO 0.69 0.42 -0.73 0.66 -1.08 0.00 0.00 179.45 179.40 2hfi n TYR 69 N -4.59 0.00 -1.39 -1.35 4.01 -1.26 -5.04 117.16 107.53 2hfi n TYR 69 Ca -0.13 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.26 2hfi n TYR 69 Cb 0.36 0.05 0.10 0.00 -0.31 0.00 0.00 39.34 39.54 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 -1.83 2.22 0.07 -0.72 0.11 -1.26 -5.04 120.40 113.95 2hfi s VAL 70 Ca 0.00 0.11 0.06 0.00 -2.93 0.00 0.00 61.98 59.22 2hfi s VAL 70 Cb 0.00 -2.69 -0.03 0.00 -1.53 0.00 0.00 36.38 32.13 2hfi s VAL 70 CO 0.00 -0.06 -0.16 -1.00 -3.33 0.00 0.00 175.10 170.55 2hfi s HIS 71 N -1.96 1.34 0.35 1.54 3.76 -1.26 -4.75 115.29 114.31 2hfi s HIS 71 Ca 0.75 -0.43 0.03 0.00 -0.15 0.00 0.00 55.06 55.25 2hfi s HIS 71 Cb -0.30 -0.76 0.65 0.00 1.11 0.00 0.00 32.58 33.28 2hfi s HIS 71 CO 0.46 0.08 1.99 -0.22 -0.85 0.00 0.00 174.74 176.21 2hfi h LYS 72 N 4.35 0.77 -0.57 1.40 3.64 -1.98 0.39 116.57 124.57 2hfi h LYS 72 Ca -0.42 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.02 2hfi h LYS 72 Cb 1.19 -0.17 -0.11 0.00 -0.41 0.00 0.00 32.23 32.73 2hfi h LYS 72 CO 0.41 0.54 -0.14 1.49 -2.27 0.00 0.00 179.45 179.48 2hfi h GLU 73 N 0.79 0.00 -0.27 1.90 4.81 -1.99 0.59 114.58 120.39 2hfi h GLU 73 Ca 0.21 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 2hfi h GLU 73 Cb -0.03 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2hfi h GLU 73 CO -0.04 0.00 -0.58 1.96 -0.73 0.00 0.00 179.01 179.62 2hfi h GLN 74 N 0.00 0.87 -0.50 1.92 4.20 -1.59 -2.70 115.11 117.31 2hfi h GLN 74 Ca 0.27 -0.58 0.01 0.00 0.06 0.00 0.00 58.65 58.42 2hfi h GLN 74 Cb 0.41 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2hfi h GLN 74 CO -0.58 1.21 0.32 0.82 -0.67 0.00 0.00 178.83 179.93 2hfi h ILE 75 N 0.66 1.10 -0.08 2.54 2.04 -0.24 0.32 117.51 123.85 2hfi h ILE 75 Ca 0.01 -0.22 -0.13 0.00 1.00 0.00 0.00 64.86 65.51 2hfi h ILE 75 Cb 1.19 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2hfi h ILE 75 CO 0.13 0.12 -0.51 -0.33 0.00 0.00 0.00 178.15 177.55 2hfi h GLU 76 N 0.65 0.23 0.06 2.37 5.08 -0.95 -1.65 114.58 120.37 2hfi h GLU 76 Ca 0.19 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2hfi h GLU 76 Cb -0.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2hfi h GLU 76 CO -0.06 0.69 -0.03 0.00 -1.00 0.00 0.00 179.01 178.61 2hfi h ALA 77 N 1.29 -0.09 -0.93 3.43 0.00 -1.08 -3.17 119.26 118.71 2hfi h ALA 77 Ca 0.01 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2hfi h ALA 77 Cb 0.97 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2hfi h ALA 77 CO 0.08 -0.29 0.61 0.28 0.00 0.00 0.00 179.25 179.92 2hfi h VAL 78 N -0.60 1.17 -0.25 0.00 2.07 -0.32 0.11 116.25 118.44 2hfi h VAL 78 Ca -0.01 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.17 2hfi h VAL 78 Cb 0.51 -0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.09 2hfi h VAL 78 CO 0.01 0.22 -0.24 0.50 0.02 0.00 0.00 177.57 178.08 2hfi h LYS 79 N 1.19 -0.24 0.14 1.57 3.11 -1.36 0.19 116.57 121.17 2hfi h LYS 79 Ca 0.36 0.02 -0.30 0.00 -2.81 0.00 0.00 60.65 57.92 2hfi h LYS 79 Cb -0.03 0.05 0.03 0.00 -1.00 0.00 0.00 32.23 31.28 2hfi h LYS 79 CO -0.11 -0.16 -1.27 0.22 -2.81 0.00 0.00 179.45 175.32 2hfi h ASP 80 N -0.24 0.83 -0.26 4.20 3.58 -1.42 -3.24 116.42 119.87 2hfi h ASP 80 Ca 0.14 -0.78 -0.05 0.00 0.42 0.00 0.00 57.03 56.76 2hfi h ASP 80 Cb 0.46 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2hfi h ASP 80 CO -0.39 1.59 0.01 0.78 -2.88 0.00 0.00 179.24 178.36 2hfi h ASN 81 N 0.24 0.52 -0.80 2.28 2.35 -0.64 -2.59 115.58 116.94 2hfi h ASN 81 Ca -0.19 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.44 2hfi h ASN 81 Cb 1.95 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 40.14 2hfi h ASN 81 CO 0.24 0.58 0.41 0.15 -1.65 0.00 0.00 177.43 177.16 2hfi h PHE 82 N 0.53 1.13 -0.55 1.19 3.57 -0.65 0.39 116.94 122.56 2hfi h PHE 82 Ca 0.12 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 2hfi h PHE 82 Cb 0.32 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2hfi h PHE 82 CO 0.01 0.81 0.05 -0.07 -2.23 0.00 0.00 178.31 176.88 2hfi h LEU 83 N 1.13 0.87 -0.42 0.59 3.38 -1.51 -1.83 115.31 117.52 2hfi h LEU 83 Ca 0.28 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 2hfi h LEU 83 Cb 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2hfi h LEU 83 CO -0.04 0.90 -0.51 -0.33 0.09 0.00 0.00 178.44 178.55 2hfi h GLU 84 N 0.85 0.76 -0.00 1.13 5.08 -1.09 -2.83 114.58 118.48 2hfi h GLU 84 Ca 0.17 -0.46 0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2hfi h GLU 84 Cb 0.43 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2hfi h GLU 84 CO 0.02 1.08 -0.13 1.25 -1.00 0.00 0.00 179.01 180.22 2hfi h LEU 85 N 0.59 -0.39 -0.45 1.33 6.46 0.15 0.32 115.31 123.33 2hfi h LEU 85 Ca 0.02 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 2hfi h LEU 85 Cb 1.09 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.15 2hfi h LEU 85 CO 0.11 -0.19 0.25 0.58 -0.62 0.00 0.00 178.44 178.57 2hfi h VAL 86 N -0.23 1.02 -0.16 1.05 2.07 -1.38 -1.46 116.25 117.17 2hfi h VAL 86 Ca 0.05 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2hfi h VAL 86 Cb 0.29 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2hfi h VAL 86 CO -0.13 0.09 0.03 0.25 0.02 0.00 0.00 177.57 177.83 2hfi h LEU 87 N 0.50 0.25 -1.89 2.57 5.85 -1.20 -3.03 115.31 118.35 2hfi h LEU 87 Ca 0.18 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2hfi h LEU 87 Cb 0.05 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 2hfi h LEU 87 CO -0.10 0.43 -0.12 1.56 -0.34 0.00 0.00 178.44 179.87 2hfi h GLN 88 N 0.05 0.00 0.00 1.25 1.08 -0.12 0.21 115.11 117.58 2hfi h GLN 88 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2hfi h GLN 88 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2hfi h GLN 88 CO 0.00 0.12 0.00 1.03 -0.95 0.00 0.00 178.83 179.03 2hfi h SER 89 N 0.00 0.00 0.00 1.46 0.87 -1.14 0.59 113.55 115.33 2hfi h SER 89 Ca -0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 2hfi h SER 89 Cb 0.25 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 2hfi h SER 89 CO 0.02 0.00 -1.68 -1.22 -0.53 0.00 0.00 176.83 173.41 2hfi n TYR 90 N -2.91 0.00 0.13 2.24 4.01 -0.34 -4.61 117.16 115.69 2hfi n TYR 90 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 2hfi n TYR 90 Cb 0.23 -0.48 0.03 0.00 -0.31 0.00 0.00 39.34 38.81 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 0.00 0.58 -5.83 -0.72 -1.51 -1.03 -3.48 116.25 104.26 2hfi h VAL 91 Ca -0.27 -1.87 -0.38 0.00 -1.23 0.00 0.00 66.70 62.95 2hfi h VAL 91 Cb 1.52 2.20 0.13 0.00 -2.13 0.00 0.00 31.29 33.00 2hfi h VAL 91 CO -0.01 0.33 -0.74 1.41 -1.23 0.00 0.00 177.57 177.33 2hfi n HIS 92 N -3.09 -2.45 -3.41 5.19 8.25 0.20 -4.95 115.22 114.95 2hfi n HIS 92 Ca -0.00 0.96 -0.28 0.00 -0.26 0.00 0.00 57.72 58.14 2hfi n HIS 92 Cb 0.71 -4.91 -0.08 0.00 1.12 0.00 0.00 29.99 26.83 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 -4.54 3.58 -4.36 4.41 1.44 -1.26 -5.03 115.22 109.47 2hfi n HIS 93 Ca -0.15 -4.07 -0.18 0.00 -2.01 0.00 0.00 57.72 51.30 2hfi n HIS 93 Cb 0.62 -0.60 -0.10 0.00 0.12 0.00 0.00 29.99 30.02 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 -2.48 1.30 0.00 0.61 -0.00 -1.26 -5.08 121.20 114.29 2hfi s ILE 94 Ca 0.39 -2.08 0.00 0.00 -0.00 0.00 0.00 60.65 58.96 2hfi s ILE 94 Cb 0.14 -2.33 0.00 0.00 -0.00 0.00 0.00 42.46 40.27 2hfi s ILE 94 CO -0.01 -0.36 0.00 1.57 -0.00 0.00 0.00 174.94 176.14 2hfi n HIS 95 N -0.46 0.00 0.00 1.37 -0.00 -1.26 -5.07 115.22 109.80 2hfi n HIS 95 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 2hfi n HIS 95 Cb 0.63 -0.24 0.00 0.00 -0.12 0.00 0.00 29.99 30.26 2hfi n HIS 95 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2hfi n LYS 96 N -2.07 0.00 0.18 1.57 4.81 -1.26 -4.99 118.16 116.39 2hfi n LYS 96 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 2hfi n LYS 96 Cb 0.00 0.00 0.32 0.00 0.02 0.00 0.00 35.03 35.37 2hfi n LYS 96 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 2hfi h LYS 97 N 0.00 0.00 -0.04 1.64 2.10 -2.00 -3.20 116.57 115.07 2hfi h LYS 97 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2hfi h LYS 97 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2hfi h LYS 97 CO 0.00 0.43 0.02 -0.09 -2.00 0.00 0.00 179.45 177.80 2hfi h ARG 98 N 0.00 0.04 -0.82 0.07 2.43 -1.98 0.40 114.38 114.52 2hfi h ARG 98 Ca -0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2hfi h ARG 98 Cb 0.81 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 2hfi h ARG 98 CO 0.06 0.02 0.44 0.35 -1.51 0.00 0.00 179.97 179.33 2hfi h PHE 99 N 0.04 1.14 -0.08 2.20 3.57 -1.96 0.22 116.94 122.06 2hfi h PHE 99 Ca 0.02 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2hfi h PHE 99 Cb 0.01 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.38 2hfi h PHE 99 CO -0.09 0.80 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.55 2hfi h LYS 100 N 1.15 0.16 -0.24 1.11 3.11 -1.54 -2.09 116.57 118.23 2hfi h LYS 100 Ca 0.29 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 58.06 2hfi h LYS 100 Cb 0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 2hfi h LYS 100 CO -0.05 0.48 0.14 0.22 -2.81 0.00 0.00 179.45 177.43 2hfi h ASP 101 N -0.17 0.29 -0.19 4.20 3.58 0.16 -0.46 116.42 123.83 2hfi h ASP 101 Ca 0.02 -0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.43 2hfi h ASP 101 Cb 0.42 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 2hfi h ASP 101 CO 0.01 0.27 0.05 0.40 -2.88 0.00 0.00 179.24 177.08 2hfi h ILE 102 N 0.28 0.93 -0.37 2.25 2.04 -0.59 0.38 117.51 122.43 2hfi h ILE 102 Ca 0.08 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2hfi h ILE 102 Cb 0.04 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2hfi h ILE 102 CO -0.01 0.02 0.24 0.74 0.00 0.00 0.00 178.15 179.14 2hfi h THR 103 N 0.13 1.08 -0.27 -0.27 2.02 -1.14 -0.41 112.91 114.05 2hfi h THR 103 Ca 0.08 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 2hfi h THR 103 Cb 0.06 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2hfi h THR 103 CO -0.10 0.09 0.06 -0.08 0.37 0.00 0.00 175.52 175.86 2hfi h GLU 104 N 0.48 0.43 -0.34 6.66 4.81 -0.83 -0.86 114.58 124.93 2hfi h GLU 104 Ca 0.14 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2hfi h GLU 104 Cb -0.04 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2hfi h GLU 104 CO -0.04 0.53 0.14 1.03 -0.73 0.00 0.00 179.01 179.94 2hfi h SER 105 N 0.26 0.18 -0.04 1.04 0.87 -0.01 0.37 113.55 116.22 2hfi h SER 105 Ca 0.08 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2hfi h SER 105 Cb 0.30 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2hfi h SER 105 CO 0.00 0.14 0.01 0.58 -0.53 0.00 0.00 176.83 177.03 2hfi h VAL 106 N 0.30 0.99 -0.30 2.23 2.07 -0.94 -0.78 116.25 119.81 2hfi h VAL 106 Ca 0.15 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.69 2hfi h VAL 106 Cb 0.10 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2hfi h VAL 106 CO -0.14 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.52 2hfi h LEU 107 N 0.03 0.17 -0.13 2.57 3.38 -0.72 0.61 115.31 121.21 2hfi h LEU 107 Ca 0.02 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2hfi h LEU 107 Cb 0.01 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2hfi h LEU 107 CO -0.02 0.13 -0.13 0.22 0.09 0.00 0.00 178.44 178.73 2hfi h TYR 108 N 0.27 -0.32 -0.55 1.13 3.20 -0.04 0.28 116.97 120.95 2hfi h TYR 108 Ca 0.13 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 2hfi h TYR 108 Cb 0.08 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2hfi h TYR 108 CO -0.12 -0.19 0.32 1.15 -1.64 0.00 0.00 178.16 177.69 2hfi h THR 109 N -0.15 1.17 -0.76 1.81 2.02 -0.85 -0.89 112.91 115.26 2hfi h THR 109 Ca 0.09 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 2hfi h THR 109 Cb 0.28 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 2hfi h THR 109 CO -0.22 0.18 0.37 -0.07 0.37 0.00 0.00 175.52 176.15 2hfi h LEU 110 N 0.74 0.97 -0.87 2.58 3.38 -0.40 -0.82 115.31 120.89 2hfi h LEU 110 Ca 0.20 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2hfi h LEU 110 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2hfi h LEU 110 CO -0.04 0.81 -0.09 0.45 0.09 0.00 0.00 178.44 179.67 2hfi h HIS 111 N 1.07 0.80 -0.06 1.13 3.86 0.05 -0.46 115.15 121.54 2hfi h HIS 111 Ca 0.26 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2hfi h HIS 111 Cb 0.09 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 2hfi h HIS 111 CO 0.01 0.80 0.01 0.00 0.86 0.00 0.00 177.93 179.61 2hfi h ALA 112 N 1.22 0.08 -0.39 2.45 0.00 -0.50 -1.60 119.26 120.52 2hfi h ALA 112 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2hfi h ALA 112 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2hfi h ALA 112 CO 0.03 -0.27 0.21 0.28 0.00 0.00 0.00 179.25 179.50 2hfi h VAL 113 N -0.17 1.16 -0.34 0.00 2.07 -1.05 -0.68 116.25 117.24 2hfi h VAL 113 Ca 0.02 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.17 2hfi h VAL 113 Cb 0.30 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2hfi h VAL 113 CO 0.00 0.16 0.06 0.50 0.02 0.00 0.00 177.57 178.32 2hfi h LYS 114 N 0.50 0.17 -0.33 1.57 3.64 -1.05 -0.60 116.57 120.49 2hfi h LYS 114 Ca 0.14 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 2hfi h LYS 114 Cb 0.07 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2hfi h LYS 114 CO -0.02 0.11 -0.15 0.22 -2.27 0.00 0.00 179.45 177.34 2hfi h ASP 115 N 0.18 0.69 -0.71 4.20 1.82 -0.94 -0.96 116.42 120.70 2hfi h ASP 115 Ca 0.16 -0.40 0.02 0.00 -0.39 0.00 0.00 57.03 56.42 2hfi h ASP 115 Cb 0.18 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 39.96 2hfi h ASP 115 CO -0.22 0.94 0.46 -0.33 -1.61 0.00 0.00 179.24 178.48 2hfi h GLU 116 N 0.44 0.88 0.07 0.28 5.08 -0.93 0.43 114.58 120.83 2hfi h GLU 116 Ca 0.07 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2hfi h GLU 116 Cb 0.68 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2hfi h GLU 116 CO 0.05 0.58 -0.04 0.82 -1.00 0.00 0.00 179.01 179.42 2hfi h ILE 117 N 0.90 0.94 0.00 3.13 2.04 -0.90 -1.44 117.51 122.19 2hfi h ILE 117 Ca 0.28 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2hfi h ILE 117 Cb -0.02 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2hfi h ILE 117 CO -0.09 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.07 2hfi h ALA 118 N 0.80 1.00 0.00 1.87 0.00 -0.78 0.14 119.26 122.29 2hfi h ALA 118 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hfi h ALA 118 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2hfi h ALA 118 CO 0.02 0.00 -0.43 -0.09 0.00 0.00 0.00 179.25 178.75 2hfi h ARG 119 N 0.00 0.00 0.00 0.00 2.43 0.38 -3.33 114.38 113.87 2hfi h ARG 119 Ca 0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 2hfi h ARG 119 Cb 0.41 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2hfi h ARG 119 CO 0.00 0.00 -0.83 0.93 -1.51 0.00 0.00 179.97 178.56 2hfi h GLU 120 N 0.00 0.00 -3.48 0.20 4.39 -0.17 -3.48 114.58 112.05 2hfi h GLU 120 Ca 0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 2hfi h GLU 120 Cb 0.97 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 29.28 2hfi h GLU 120 CO 0.00 0.82 -0.72 0.34 -1.16 0.00 0.00 179.01 178.29 2hfi s ASP 121 N -6.50 0.15 0.00 1.42 2.15 -0.08 -5.12 116.67 108.69 2hfi s ASP 121 Ca -0.23 0.07 0.00 0.00 0.43 0.00 0.00 52.55 52.81 2hfi s ASP 121 Cb 0.03 -0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.60 2hfi s ASP 121 CO 0.53 -0.14 0.00 -0.24 -0.17 0.00 0.00 175.17 175.15 2hfi n SER 122 N 4.30 0.00 0.00 -0.34 2.88 -1.25 -3.98 113.62 115.23 2hfi n SER 122 Ca -0.26 -0.62 0.03 0.00 -1.33 0.00 0.00 58.87 56.69 2hfi n SER 122 Cb 0.50 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.11 2hfi n SER 122 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70