#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilo s MET 2 N 0.00 3.82 -0.12 0.03 1.00 0.24 -4.70 119.30 119.57 1ilo s MET 2 Ca 0.00 1.07 -0.29 0.00 0.00 0.00 0.00 55.69 56.47 1ilo s MET 2 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 34.83 30.88 1ilo s MET 2 CO 0.00 -1.24 1.57 0.15 0.00 0.00 0.00 175.02 175.49 1ilo s LYS 3 N 4.35 4.08 -0.12 2.03 -0.14 -1.26 -1.20 119.74 127.48 1ilo s LYS 3 Ca 0.56 1.94 -0.00 0.00 -1.36 0.00 0.00 55.97 57.10 1ilo s LYS 3 Cb -0.14 -3.96 0.03 0.00 -1.68 0.00 0.00 37.83 32.07 1ilo s LYS 3 CO 0.26 -0.94 -0.08 0.42 -0.76 0.00 0.00 175.35 174.25 1ilo s ILE 4 N 4.26 1.07 -0.19 2.17 1.01 -0.10 -1.31 121.20 128.11 1ilo s ILE 4 Ca 0.69 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 1ilo s ILE 4 Cb -0.29 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 1ilo s ILE 4 CO 0.26 0.35 -0.06 0.00 0.00 0.00 0.00 174.94 175.50 1ilo s GLN 5 N 1.69 3.43 -0.37 2.79 0.00 -0.93 -0.62 119.66 125.64 1ilo s GLN 5 Ca 0.05 -0.62 -0.13 0.00 -0.00 0.00 0.00 55.36 54.66 1ilo s GLN 5 Cb -0.13 -2.91 0.01 0.00 0.00 0.00 0.00 33.01 29.99 1ilo s GLN 5 CO -0.08 -0.03 0.24 0.42 0.00 0.00 0.00 175.29 175.84 1ilo s ILE 6 N 1.04 5.00 -0.45 3.63 1.09 -1.09 -2.34 121.20 128.08 1ilo s ILE 6 Ca 0.00 -0.60 -0.18 0.00 -1.10 0.00 0.00 60.65 58.77 1ilo s ILE 6 Cb -0.15 -3.71 0.03 0.00 -1.06 0.00 0.00 42.46 37.58 1ilo s ILE 6 CO -0.00 -0.18 0.53 -0.31 -0.10 0.00 0.00 174.94 174.87 1ilo s TYR 7 N 1.65 3.12 0.00 3.97 2.02 0.18 -1.93 117.35 126.35 1ilo s TYR 7 Ca 0.04 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1ilo s TYR 7 Cb -0.18 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.20 1ilo s TYR 7 CO 0.09 -0.83 0.00 0.41 -1.57 0.00 0.00 175.55 173.65 1ilo n GLY 8 N 5.11 1.16 5.00 0.71 0.00 -1.26 -2.94 105.19 112.97 1ilo n GLY 8 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1ilo n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ilo n THR 9 N 0.00 0.00 0.00 2.61 -1.04 -1.19 -4.39 114.28 110.27 1ilo n THR 9 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ilo n THR 9 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1ilo n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ilo n GLY 10 N 0.00 -0.44 0.38 3.41 0.00 -1.26 -4.18 105.19 103.10 1ilo n GLY 10 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 1ilo n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ilo s ALA 12 N -4.90 3.53 -1.43 0.00 0.00 -1.26 -4.93 121.76 112.78 1ilo s ALA 12 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1ilo s ALA 12 Cb 0.18 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1ilo s ALA 12 CO 0.68 -1.08 0.58 0.09 0.00 0.00 0.00 175.76 176.03 1ilo n ASN 13 N 5.87 0.46 0.34 0.00 4.13 -1.26 -3.15 115.26 121.64 1ilo n ASN 13 Ca -0.01 -1.62 0.20 0.00 1.68 0.00 0.00 54.58 54.82 1ilo n ASN 13 Cb 0.49 -0.23 1.07 0.00 -1.54 0.00 0.00 39.78 39.57 1ilo n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ilo h GLN 15 N 0.00 0.00 0.80 0.00 3.07 -1.84 -0.82 115.11 116.32 1ilo h GLN 15 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 1ilo h GLN 15 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.81 1ilo h GLN 15 CO 0.00 0.00 -0.38 1.98 0.09 0.00 0.00 178.83 180.52 1ilo h MET 16 N 0.00 -1.04 -0.80 0.06 4.05 -1.80 -2.62 114.93 112.78 1ilo h MET 16 Ca 0.53 0.07 0.02 0.00 -0.28 0.00 0.00 59.70 60.04 1ilo h MET 16 Cb 2.27 0.24 -0.04 0.00 -0.80 0.00 0.00 31.60 33.26 1ilo h MET 16 CO -0.01 -0.69 0.53 1.25 0.23 0.00 0.00 176.91 178.22 1ilo h LEU 17 N -1.26 0.89 -1.40 3.39 7.12 -1.45 -1.65 115.31 120.94 1ilo h LEU 17 Ca -0.11 -0.02 0.14 0.00 0.13 0.00 0.00 57.88 58.02 1ilo h LEU 17 Cb 0.82 -0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 40.68 1ilo h LEU 17 CO 0.18 0.63 0.54 -0.08 -0.13 0.00 0.00 178.44 179.58 1ilo h GLU 18 N 1.04 0.58 0.11 1.25 4.22 -1.14 0.33 114.58 120.97 1ilo h GLU 18 Ca 0.31 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.71 1ilo h GLU 18 Cb -0.05 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1ilo h GLU 18 CO -0.08 0.38 -0.05 -0.22 -2.18 0.00 0.00 179.01 176.86 1ilo h LYS 19 N 0.60 -0.14 -0.25 1.92 3.64 -0.92 -2.80 116.57 118.62 1ilo h LYS 19 Ca 0.41 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.77 1ilo h LYS 19 Cb 0.74 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1ilo h LYS 19 CO -0.17 0.34 0.02 -2.95 -2.27 0.00 0.00 179.45 174.43 1ilo h ASN 20 N -0.72 0.34 -0.58 4.20 7.08 -1.29 -2.31 115.58 122.30 1ilo h ASN 20 Ca -0.01 -0.05 0.02 0.00 -3.08 0.00 0.00 56.30 53.18 1ilo h ASN 20 Cb 0.54 -0.09 -0.04 0.00 -2.08 0.00 0.00 38.32 36.66 1ilo h ASN 20 CO 0.02 0.38 0.36 0.00 -2.08 0.00 0.00 177.43 176.12 1ilo h ALA 21 N 1.67 0.75 0.16 4.14 0.00 -0.36 0.31 119.26 125.93 1ilo h ALA 21 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ilo h ALA 21 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ilo h ALA 21 CO 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 179.25 179.21 1ilo h ARG 22 N 0.72 -0.32 0.01 0.00 3.08 -1.14 0.53 114.38 117.26 1ilo h ARG 22 Ca 0.23 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 1ilo h ARG 22 Cb 0.00 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1ilo h ARG 22 CO -0.09 -0.21 -0.00 1.05 -1.07 0.00 0.00 179.97 179.64 1ilo h GLU 23 N -0.33 -0.01 0.15 0.04 -0.00 -1.41 -2.56 114.58 110.47 1ilo h GLU 23 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1ilo h GLU 23 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.06 1ilo h GLU 23 CO -0.03 0.39 -0.07 0.00 -0.00 0.00 0.00 179.01 179.30 1ilo h ALA 24 N 0.58 -0.20 0.08 1.06 0.00 -0.36 0.89 119.26 121.30 1ilo h ALA 24 Ca -0.00 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ilo h ALA 24 Cb 0.41 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1ilo h ALA 24 CO 0.00 -0.59 -0.33 -0.24 0.00 0.00 0.00 179.25 178.09 1ilo h VAL 25 N -0.24 0.30 0.02 0.00 3.04 0.00 0.87 116.25 120.23 1ilo h VAL 25 Ca -0.02 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1ilo h VAL 25 Cb 0.19 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 29.77 1ilo h VAL 25 CO 0.03 0.00 -0.01 0.11 -1.01 0.00 0.00 177.57 176.70 1ilo h LYS 26 N -0.53 -0.02 -0.88 4.17 1.57 -0.94 -2.60 116.57 117.35 1ilo h LYS 26 Ca 0.04 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1ilo h LYS 26 Cb 0.58 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1ilo h LYS 26 CO -0.22 0.30 0.55 1.49 -0.57 0.00 0.00 179.45 181.00 1ilo h GLU 27 N -0.34 1.00 0.00 3.15 4.81 0.97 -0.15 114.58 124.01 1ilo h GLU 27 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1ilo h GLU 27 Cb 0.33 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1ilo h GLU 27 CO 0.00 0.66 0.31 -0.07 -0.73 0.00 0.00 179.01 179.18 1ilo h LEU 28 N 1.03 0.00 0.00 1.64 -0.00 0.80 -3.43 115.31 115.35 1ilo h LEU 28 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.25 1ilo h LEU 28 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1ilo h LEU 28 CO -0.15 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.90 1ilo n GLY 29 N -1.23 1.88 3.15 0.83 0.00 -0.11 -5.06 105.19 104.66 1ilo n GLY 29 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 1ilo n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ilo s ILE 30 N -2.00 -0.84 0.89 -0.61 1.01 -0.98 -5.04 121.20 113.63 1ilo s ILE 30 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.54 1ilo s ILE 30 Cb 0.00 -0.91 0.13 0.00 0.01 0.00 0.00 42.46 41.69 1ilo s ILE 30 CO 0.00 -0.03 1.14 -1.81 0.00 0.00 0.00 174.94 174.24 1ilo s ASP 31 N 2.74 3.14 0.03 3.58 1.01 -1.26 -1.93 116.67 123.98 1ilo s ASP 31 Ca 0.13 2.15 -0.17 0.00 0.71 0.00 0.00 52.55 55.37 1ilo s ASP 31 Cb -0.14 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.25 1ilo s ASP 31 CO -0.18 -2.96 0.38 0.00 0.21 0.00 0.00 175.17 172.62 1ilo s ALA 32 N -2.67 -0.92 -0.25 5.23 0.00 -1.26 0.13 121.76 122.01 1ilo s ALA 32 Ca 0.66 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.88 1ilo s ALA 32 Cb -0.22 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1ilo s ALA 32 CO 0.57 -0.41 -0.05 -1.21 0.00 0.00 0.00 175.76 174.66 1ilo s GLU 33 N -2.24 2.83 -0.43 0.00 2.02 -0.34 -4.76 118.70 115.78 1ilo s GLU 33 Ca -0.07 -0.98 -0.16 0.00 0.02 0.00 0.00 54.97 53.78 1ilo s GLU 33 Cb -0.02 -3.01 0.03 0.00 0.10 0.00 0.00 34.13 31.24 1ilo s GLU 33 CO -0.01 -0.41 0.37 -0.06 0.02 0.00 0.00 175.26 175.17 1ilo s PHE 34 N 1.33 3.21 -0.32 1.61 0.40 -1.26 -0.92 117.98 122.03 1ilo s PHE 34 Ca 0.00 -0.58 -0.05 0.00 -0.60 0.00 0.00 56.93 55.69 1ilo s PHE 34 Cb -0.17 -2.83 0.04 0.00 0.51 0.00 0.00 43.02 40.57 1ilo s PHE 34 CO -0.04 -0.68 0.07 -2.00 0.70 0.00 0.00 175.22 173.27 1ilo s GLU 35 N 1.85 2.64 0.14 0.44 2.56 0.21 -5.01 118.70 121.54 1ilo s GLU 35 Ca 0.07 -1.15 -0.27 0.00 0.00 0.00 0.00 54.97 53.62 1ilo s GLU 35 Cb -0.19 -3.37 -0.07 0.00 2.00 0.00 0.00 34.13 32.49 1ilo s GLU 35 CO 0.11 -0.62 0.85 0.15 -0.56 0.00 0.00 175.26 175.19 1ilo s LYS 36 N 1.38 4.65 0.53 4.30 1.02 -1.26 -2.66 119.74 127.70 1ilo s LYS 36 Ca -0.02 1.28 0.08 0.00 0.02 0.00 0.00 55.97 57.33 1ilo s LYS 36 Cb -0.19 -3.32 0.06 0.00 -0.52 0.00 0.00 37.83 33.86 1ilo s LYS 36 CO 0.02 0.41 0.63 0.96 -0.92 0.00 0.00 175.35 176.45 1ilo s ILE 37 N -0.65 2.20 -0.51 2.17 -0.00 -0.81 -4.93 121.20 118.67 1ilo s ILE 37 Ca 0.40 -1.14 0.06 0.00 -0.00 0.00 0.00 60.65 59.97 1ilo s ILE 37 Cb -0.23 -2.34 0.21 0.00 -0.00 0.00 0.00 42.46 40.10 1ilo s ILE 37 CO 0.28 0.00 0.80 2.29 -0.00 0.00 0.00 174.94 178.31 1ilo n LYS 38 N -2.01 0.65 0.00 0.37 2.85 -1.26 -4.42 118.16 114.33 1ilo n LYS 38 Ca 0.10 -1.89 0.00 0.00 -1.05 0.00 0.00 58.31 55.46 1ilo n LYS 38 Cb 0.62 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 1ilo n LYS 38 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ilo n GLU 39 N 2.36 0.00 0.10 -1.58 1.02 -1.26 -5.00 120.64 116.28 1ilo n GLU 39 Ca 0.14 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.44 1ilo n GLU 39 Cb 0.59 0.00 0.68 0.00 -0.02 0.00 0.00 31.44 32.69 1ilo n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ilo h MET 40 N 0.00 0.00 -0.95 3.49 -0.00 -1.99 0.18 114.93 115.65 1ilo h MET 40 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 59.70 59.91 1ilo h MET 40 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 31.52 1ilo h MET 40 CO 0.00 0.00 0.61 0.22 -0.00 0.00 0.00 176.91 177.74 1ilo h ASP 41 N 0.00 0.51 0.32 -0.10 3.58 -1.99 0.57 116.42 119.32 1ilo h ASP 41 Ca 0.16 0.06 -0.33 0.00 0.42 0.00 0.00 57.03 57.34 1ilo h ASP 41 Cb 0.65 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1ilo h ASP 41 CO -0.00 0.19 -1.71 1.56 -2.88 0.00 0.00 179.24 176.39 1ilo h GLN 42 N 0.50 0.25 0.48 0.28 4.20 -1.10 -3.21 115.11 116.51 1ilo h GLN 42 Ca 0.51 -0.43 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1ilo h GLN 42 Cb 1.15 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 29.08 1ilo h GLN 42 CO -0.24 1.11 -0.28 0.82 -0.67 0.00 0.00 178.83 179.57 1ilo h ILE 43 N 0.07 0.43 -0.62 2.54 2.04 0.62 -2.69 117.51 119.89 1ilo h ILE 43 Ca -0.31 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1ilo h ILE 43 Cb 2.04 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1ilo h ILE 43 CO 0.14 0.00 0.33 0.17 0.00 0.00 0.00 178.15 178.79 1ilo h LEU 44 N -0.71 0.77 -2.17 1.44 -0.00 -0.18 -0.90 115.31 113.55 1ilo h LEU 44 Ca -0.06 -0.06 0.07 0.00 -0.00 0.00 0.00 57.88 57.83 1ilo h LEU 44 Cb 0.58 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 1ilo h LEU 44 CO 0.07 0.63 0.26 -0.08 -0.00 0.00 0.00 178.44 179.32 1ilo h GLU 45 N 0.87 0.00 -0.15 0.17 4.22 -1.49 0.37 114.58 118.57 1ilo h GLU 45 Ca 0.22 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.51 1ilo h GLU 45 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1ilo h GLU 45 CO -0.03 0.00 -0.53 0.00 -2.18 0.00 0.00 179.01 176.27 1ilo h ALA 46 N 1.69 0.80 0.00 2.92 0.00 -0.87 -3.47 119.26 120.33 1ilo h ALA 46 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ilo h ALA 46 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ilo h ALA 46 CO -0.00 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.34 1ilo n GLY 47 N 0.17 2.04 3.92 0.00 0.00 0.13 -4.66 105.19 106.79 1ilo n GLY 47 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1ilo n GLY 47 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ilo s LEU 48 N 0.00 2.73 0.00 0.99 -0.00 -1.26 -5.02 118.68 116.12 1ilo s LEU 48 Ca 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 54.13 54.76 1ilo s LEU 48 Cb 0.00 -3.24 0.00 0.00 -0.00 0.00 0.00 46.19 42.95 1ilo s LEU 48 CO 0.00 -1.66 0.00 0.35 -0.00 0.00 0.00 176.35 175.04 1ilo n THR 49 N -3.05 0.00 -0.85 5.48 -2.24 -1.26 -4.33 114.28 108.03 1ilo n THR 49 Ca 0.08 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.59 1ilo n THR 49 Cb 0.60 -0.79 0.23 0.00 -2.10 0.00 0.00 70.33 68.27 1ilo n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ilo n ALA 50 N -1.70 -3.28 -0.04 6.98 0.00 -1.26 -5.03 120.51 116.18 1ilo n ALA 50 Ca 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 53.44 52.00 1ilo n ALA 50 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 1ilo n ALA 50 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ilo h LEU 51 N 0.00 0.00 -6.08 0.00 4.07 -1.90 -3.40 115.31 108.01 1ilo h LEU 51 Ca -0.36 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.23 1ilo h LEU 51 Cb 1.11 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.89 1ilo h LEU 51 CO 0.23 0.42 1.91 -2.65 -1.08 0.00 0.00 178.44 177.27 1ilo n PRO 52 N -3.77 1.06 -4.08 1.13 -0.02 -1.26 -4.34 135.00 123.72 1ilo n PRO 52 Ca -0.03 -1.22 -0.33 0.00 -2.02 0.00 0.00 63.50 59.91 1ilo n PRO 52 Cb 0.11 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.07 1ilo n PRO 52 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ilo s GLY 53 N 4.78 2.03 -0.15 -1.23 0.00 -1.15 -3.36 107.32 108.23 1ilo s GLY 53 Ca 0.38 -0.86 -0.08 0.00 0.00 0.00 0.00 44.72 44.15 1ilo s GLY 53 CO 0.07 -0.74 0.37 0.48 0.00 0.00 0.00 173.10 173.28 1ilo s LEU 54 N -1.76 0.02 -0.22 0.66 0.05 -1.15 0.49 118.68 116.77 1ilo s LEU 54 Ca 0.23 0.81 -0.08 0.00 0.05 0.00 0.00 54.13 55.14 1ilo s LEU 54 Cb -0.12 1.20 -0.04 0.00 -2.05 0.00 0.00 46.19 45.18 1ilo s LEU 54 CO 0.14 -0.19 0.09 0.00 -0.55 0.00 0.00 176.35 175.85 1ilo s ALA 55 N 1.39 3.37 -0.09 1.48 0.00 -0.99 -2.17 121.76 124.75 1ilo s ALA 55 Ca -0.09 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1ilo s ALA 55 Cb -0.09 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 1ilo s ALA 55 CO -0.12 -0.16 -0.11 0.14 0.00 0.00 0.00 175.76 175.51 1ilo s VAL 56 N 1.01 3.31 -0.78 0.00 -7.23 -1.10 -2.18 120.40 113.43 1ilo s VAL 56 Ca 0.05 -0.60 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 1ilo s VAL 56 Cb -0.14 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1ilo s VAL 56 CO 0.03 0.56 0.00 -0.67 -0.31 0.00 0.00 175.10 174.71 1ilo n ASP 57 N 2.84 -2.81 -0.92 4.85 2.03 -0.43 0.52 116.55 122.63 1ilo n ASP 57 Ca -0.18 0.27 -0.04 0.00 0.52 0.00 0.00 54.79 55.36 1ilo n ASP 57 Cb 0.53 -2.52 0.01 0.00 -0.72 0.00 0.00 41.12 38.42 1ilo n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ilo n GLY 58 N -0.56 0.65 3.00 0.27 0.00 -1.26 -5.04 105.19 102.24 1ilo n GLY 58 Ca -0.10 -0.56 -0.04 0.00 0.00 0.00 0.00 46.02 45.32 1ilo n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ilo s GLU 59 N -5.07 0.48 -0.09 1.61 2.12 0.18 -5.13 118.70 112.80 1ilo s GLU 59 Ca 0.08 0.24 -0.40 0.00 0.36 0.00 0.00 54.97 55.25 1ilo s GLU 59 Cb -0.04 -0.11 -0.18 0.00 0.26 0.00 0.00 34.13 34.06 1ilo s GLU 59 CO 0.10 -1.05 1.34 1.28 -0.54 0.00 0.00 175.26 176.39 1ilo n LEU 60 N 5.33 1.07 -0.00 2.70 7.99 -1.26 -2.72 117.00 130.10 1ilo n LEU 60 Ca 0.03 1.14 0.01 0.00 -0.01 0.00 0.00 56.01 57.18 1ilo n LEU 60 Cb 0.51 -1.03 -0.02 0.00 -0.11 0.00 0.00 43.42 42.77 1ilo n LEU 60 CO -0.03 -1.24 -0.41 1.17 -1.51 0.00 0.00 177.39 175.37 1ilo n LYS 61 N 2.80 1.51 -4.06 3.23 0.00 -0.92 -4.89 118.16 115.83 1ilo n LYS 61 Ca 0.22 -0.02 -0.14 0.00 0.00 0.00 0.00 58.31 58.37 1ilo n LYS 61 Cb 0.10 -0.95 -0.14 0.00 0.00 0.00 0.00 35.03 34.04 1ilo n LYS 61 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1ilo s ILE 62 N -1.93 0.28 -0.17 3.15 -4.36 -1.23 -4.94 121.20 111.99 1ilo s ILE 62 Ca -0.00 -0.18 -0.04 0.00 -0.26 0.00 0.00 60.65 60.16 1ilo s ILE 62 Cb 0.01 -0.25 0.08 0.00 1.25 0.00 0.00 42.46 43.56 1ilo s ILE 62 CO 0.09 0.06 0.24 -0.32 0.24 0.00 0.00 174.94 175.25 1ilo s MET 63 N -0.14 0.17 0.00 0.37 1.75 -1.25 -2.93 119.30 117.27 1ilo s MET 63 Ca 0.01 0.46 0.00 0.00 -1.25 0.00 0.00 55.69 54.91 1ilo s MET 63 Cb -0.02 -0.64 0.00 0.00 2.84 0.00 0.00 34.83 37.01 1ilo s MET 63 CO -0.00 -0.49 0.00 0.41 -0.65 0.00 0.00 175.02 174.29 1ilo n GLY 64 N 5.33 2.34 3.17 2.11 0.00 -1.21 -4.90 105.19 112.02 1ilo n GLY 64 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.01 1ilo n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ilo s ARG 65 N -0.44 0.04 0.46 1.61 3.52 -1.24 -4.63 118.95 118.28 1ilo s ARG 65 Ca 0.00 0.09 -0.07 0.00 -0.13 0.00 0.00 55.73 55.63 1ilo s ARG 65 Cb 0.00 0.06 0.10 0.00 -1.56 0.00 0.00 34.95 33.55 1ilo s ARG 65 CO 0.00 -0.03 0.24 1.33 -0.81 0.00 0.00 175.30 176.02 1ilo n VAL 66 N 5.06 0.00 -3.89 7.11 0.24 -1.25 -4.85 118.33 120.75 1ilo n VAL 66 Ca -0.08 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.87 1ilo n VAL 66 Cb 0.55 -0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 32.60 1ilo n VAL 66 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ilo s ALA 67 N -2.03 3.92 0.89 2.33 0.00 -1.26 -4.97 121.76 120.64 1ilo s ALA 67 Ca 0.18 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 1ilo s ALA 67 Cb -0.03 -1.93 0.13 0.00 0.00 0.00 0.00 23.12 21.29 1ilo s ALA 67 CO 0.15 0.69 1.10 -1.12 0.00 0.00 0.00 175.76 176.58 1ilo s SER 68 N -1.50 3.33 0.14 0.00 0.01 -1.26 -4.70 113.70 109.71 1ilo s SER 68 Ca 0.21 1.81 -0.18 0.00 1.31 0.00 0.00 55.95 59.11 1ilo s SER 68 Cb -0.12 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1ilo s SER 68 CO 0.12 -2.78 1.78 0.11 0.41 0.00 0.00 173.24 172.87 1ilo h LYS 69 N -1.65 0.31 0.00 12.44 6.56 -1.98 0.31 116.57 132.56 1ilo h LYS 69 Ca -0.47 -0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.03 1ilo h LYS 69 Cb 1.27 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.85 1ilo h LYS 69 CO 0.49 0.20 -0.35 0.93 -2.06 0.00 0.00 179.45 178.66 1ilo h GLU 70 N 0.31 0.00 -0.10 3.15 4.39 -1.98 0.42 114.58 120.77 1ilo h GLU 70 Ca 0.11 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.62 1ilo h GLU 70 Cb 0.02 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1ilo h GLU 70 CO -0.06 0.35 -0.68 1.49 -1.16 0.00 0.00 179.01 178.95 1ilo h GLU 71 N 0.00 0.63 -0.02 2.33 4.57 -1.70 -2.25 114.58 118.13 1ilo h GLU 71 Ca -0.00 -0.55 -0.04 0.00 -1.18 0.00 0.00 59.36 57.59 1ilo h GLU 71 Cb 0.63 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1ilo h GLU 71 CO 0.05 1.16 -0.12 0.97 -1.18 0.00 0.00 179.01 179.89 1ilo h ILE 72 N 0.27 1.51 -0.98 2.32 2.10 -0.24 -2.09 117.51 120.40 1ilo h ILE 72 Ca -0.06 -1.67 0.01 0.00 1.08 0.00 0.00 64.86 64.22 1ilo h ILE 72 Cb 1.33 2.55 -0.05 0.00 -1.09 0.00 0.00 36.82 39.56 1ilo h ILE 72 CO 0.14 0.45 0.65 0.50 -1.08 0.00 0.00 178.15 178.81 1ilo h LYS 73 N -0.50 1.29 0.00 2.19 3.11 -1.03 0.52 116.57 122.14 1ilo h LYS 73 Ca -0.01 -0.08 -0.12 0.00 -2.81 0.00 0.00 60.65 57.64 1ilo h LYS 73 Cb 0.80 -0.29 -0.02 0.00 -1.00 0.00 0.00 32.23 31.73 1ilo h LYS 73 CO 0.03 0.85 -0.55 1.57 -2.81 0.00 0.00 179.45 178.54 1ilo h LYS 74 N 1.32 0.00 -0.01 1.90 5.09 -1.47 -1.53 116.57 121.87 1ilo h LYS 74 Ca 0.36 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.87 1ilo h LYS 74 Cb -0.15 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.19 1ilo h LYS 74 CO -0.08 0.55 -0.95 0.82 -2.09 0.00 0.00 179.45 177.70 1ilo h ILE 75 N 0.00 1.37 -0.00 0.07 2.04 -0.61 -3.20 117.51 117.17 1ilo h ILE 75 Ca -0.01 -2.37 -0.17 0.00 1.00 0.00 0.00 64.86 63.31 1ilo h ILE 75 Cb 1.13 2.38 -0.02 0.00 -0.74 0.00 0.00 36.82 39.57 1ilo h ILE 75 CO 0.07 0.72 -0.77 -0.07 0.00 0.00 0.00 178.15 178.09 1ilo h LEU 76 N 0.28 0.07 0.00 1.44 4.07 -0.86 -3.51 115.31 116.81 1ilo h LEU 76 Ca -0.09 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1ilo h LEU 76 Cb 1.59 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.30 1ilo h LEU 76 CO 0.17 0.81 0.00 -0.24 -1.08 0.00 0.00 178.44 178.11