#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 3.66 -0.51 3.17 -2.45 -0.03 -4.72 119.30 118.42 1ilo s MET 2 Ca 0.00 0.43 -0.27 0.00 -1.25 0.00 0.00 55.69 54.60 1ilo s MET 2 Cb 0.00 -3.92 -0.02 0.00 1.25 0.00 0.00 34.83 32.14 1ilo s MET 2 CO 0.00 -1.37 1.83 0.15 1.05 0.00 0.00 175.02 176.69 1ilo s LYS 3 N 4.31 2.88 -0.31 4.11 1.02 -1.26 -1.56 119.74 128.93 1ilo s LYS 3 Ca 0.45 0.90 -0.11 0.00 0.02 0.00 0.00 55.97 57.23 1ilo s LYS 3 Cb -0.08 -4.32 -0.02 0.00 -0.52 0.00 0.00 37.83 32.89 1ilo s LYS 3 CO 0.30 -2.42 0.19 0.42 -0.92 0.00 0.00 175.35 172.93 1ilo s ILE 4 N 8.31 5.03 -0.28 2.17 1.09 0.14 -2.34 121.20 135.31 1ilo s ILE 4 Ca 0.72 -0.20 -0.05 0.00 -1.10 0.00 0.00 60.65 60.02 1ilo s ILE 4 Cb -0.16 -3.53 0.01 0.00 -1.06 0.00 0.00 42.46 37.73 1ilo s ILE 4 CO 0.25 0.09 0.04 -1.10 -0.10 0.00 0.00 174.94 174.12 1ilo s GLN 5 N 1.69 3.04 -0.42 2.79 -1.52 -0.78 -1.77 119.66 122.70 1ilo s GLN 5 Ca 0.06 -0.88 -0.15 0.00 -1.95 0.00 0.00 55.36 52.44 1ilo s GLN 5 Cb -0.17 -3.27 0.03 0.00 -0.22 0.00 0.00 33.01 29.38 1ilo s GLN 5 CO 0.09 -0.43 0.31 0.96 -0.25 0.00 0.00 175.29 175.97 1ilo s ILE 6 N 1.46 5.19 -0.17 1.08 -4.36 -1.11 -2.32 121.20 120.97 1ilo s ILE 6 Ca 0.02 -0.74 -0.20 0.00 -0.26 0.00 0.00 60.65 59.47 1ilo s ILE 6 Cb -0.17 -3.93 -0.03 0.00 1.25 0.00 0.00 42.46 39.58 1ilo s ILE 6 CO 0.01 -0.35 0.56 -0.31 0.24 0.00 0.00 174.94 175.09 1ilo s TYR 7 N 1.66 3.43 0.00 1.37 2.02 0.12 -1.55 117.35 124.39 1ilo s TYR 7 Ca 0.05 0.90 0.00 0.00 -0.37 0.00 0.00 57.07 57.64 1ilo s TYR 7 Cb -0.20 -2.70 0.00 0.00 -0.40 0.00 0.00 41.96 38.67 1ilo s TYR 7 CO 0.09 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.44 1ilo n GLY 8 N 3.63 -0.01 3.16 0.71 0.00 -1.25 -2.72 105.19 108.71 1ilo n GLY 8 Ca -0.04 0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1ilo n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ilo n THR 9 N 0.00 -8.03 0.00 2.61 -2.24 -1.26 -4.67 114.28 100.69 1ilo n THR 9 Ca 0.00 0.45 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 1ilo n THR 9 Cb 0.00 -5.68 0.00 0.00 -2.10 0.00 0.00 70.33 62.55 1ilo n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ilo n GLY 10 N -0.49 0.18 0.09 3.38 0.00 -1.26 -4.89 105.19 102.20 1ilo n GLY 10 Ca 0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.56 3.72 -0.90 0.00 0.00 -1.26 -4.87 121.76 115.89 1ilo s ALA 12 Ca -0.07 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1ilo s ALA 12 Cb 0.07 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1ilo s ALA 12 CO 0.83 -0.83 0.46 0.09 0.00 0.00 0.00 175.76 176.30 1ilo n ASN 13 N 2.87 0.99 0.19 0.00 3.02 -1.26 -4.18 115.26 116.89 1ilo n ASN 13 Ca 0.10 -1.66 0.18 0.00 -0.03 0.00 0.00 54.58 53.17 1ilo n ASN 13 Cb 0.39 -0.42 0.77 0.00 -0.61 0.00 0.00 39.78 39.91 1ilo n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ilo h GLN 15 N 0.00 1.00 0.08 0.00 3.07 -1.99 0.84 115.11 118.11 1ilo h GLN 15 Ca 0.11 -0.06 -0.00 0.00 0.09 0.00 0.00 58.65 58.79 1ilo h GLN 15 Cb 0.92 -0.23 0.00 0.00 0.08 0.00 0.00 27.48 28.25 1ilo h GLN 15 CO -0.00 0.66 -0.04 1.98 0.09 0.00 0.00 178.83 181.52 1ilo h MET 16 N 1.03 -0.11 0.00 0.06 4.05 -1.44 -2.97 114.93 115.56 1ilo h MET 16 Ca 0.45 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.83 1ilo h MET 16 Cb 0.36 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 1ilo h MET 16 CO -0.21 0.28 -0.27 1.25 0.23 0.00 0.00 176.91 178.19 1ilo h LEU 17 N -0.51 0.00 0.22 3.39 6.46 -1.56 -2.71 115.31 120.60 1ilo h LEU 17 Ca -0.01 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1ilo h LEU 17 Cb 0.43 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1ilo h LEU 17 CO 0.02 0.27 -0.16 -0.08 -0.62 0.00 0.00 178.44 177.87 1ilo h GLU 18 N 0.00 -0.36 -0.34 1.25 4.81 0.80 0.27 114.58 121.01 1ilo h GLU 18 Ca -0.00 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1ilo h GLU 18 Cb 0.66 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1ilo h GLU 18 CO 0.03 -0.24 0.02 -0.22 -0.73 0.00 0.00 179.01 177.88 1ilo h LYS 19 N -0.38 0.58 0.30 1.92 3.64 -1.45 -2.71 116.57 118.48 1ilo h LYS 19 Ca -0.01 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1ilo h LYS 19 Cb 0.33 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1ilo h LYS 19 CO 0.00 0.69 -0.23 -0.91 -2.27 0.00 0.00 179.45 176.73 1ilo h ASN 20 N 0.40 -0.59 -0.89 4.20 2.35 -1.32 -2.36 115.58 117.37 1ilo h ASN 20 Ca 0.10 0.05 0.17 0.00 -0.55 0.00 0.00 56.30 56.07 1ilo h ASN 20 Cb 0.41 0.19 -0.07 0.00 0.05 0.00 0.00 38.32 38.90 1ilo h ASN 20 CO 0.01 -0.35 0.58 0.00 -1.65 0.00 0.00 177.43 176.02 1ilo h ALA 21 N 0.11 1.99 -0.11 -0.83 0.00 -0.47 0.32 119.26 120.26 1ilo h ALA 21 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ilo h ALA 21 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ilo h ALA 21 CO -0.00 -0.26 0.07 0.00 0.00 0.00 0.00 179.25 179.06 1ilo h ARG 22 N 0.56 0.15 -0.06 0.00 3.08 -1.09 0.39 114.38 117.41 1ilo h ARG 22 Ca 0.46 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.46 1ilo h ARG 22 Cb 0.92 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1ilo h ARG 22 CO -0.20 0.12 -0.13 1.05 -1.07 0.00 0.00 179.97 179.74 1ilo h GLU 23 N 0.13 0.19 -0.01 0.04 4.11 -1.01 -2.93 114.58 115.11 1ilo h GLU 23 Ca 0.04 -0.13 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 1ilo h GLU 23 Cb 0.00 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ilo h GLU 23 CO -0.01 0.72 0.00 0.00 0.07 0.00 0.00 179.01 179.79 1ilo h ALA 24 N 0.47 0.01 0.02 1.06 0.00 -0.95 0.92 119.26 120.79 1ilo h ALA 24 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ilo h ALA 24 Cb 0.71 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1ilo h ALA 24 CO 0.03 -0.41 -0.30 -0.24 0.00 0.00 0.00 179.25 178.33 1ilo h VAL 25 N -0.14 0.34 -0.04 0.00 3.04 -0.31 0.28 116.25 119.42 1ilo h VAL 25 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.68 1ilo h VAL 25 Cb 0.15 0.34 -0.00 0.00 -2.01 0.00 0.00 31.29 29.77 1ilo h VAL 25 CO -0.00 0.00 -0.04 0.11 -1.01 0.00 0.00 177.57 176.63 1ilo h LYS 26 N -0.46 0.09 -0.61 4.17 1.57 -1.29 -2.95 116.57 117.09 1ilo h LYS 26 Ca 0.06 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1ilo h LYS 26 Cb 0.54 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.77 1ilo h LYS 26 CO -0.24 0.57 0.14 1.49 -0.57 0.00 0.00 179.45 180.83 1ilo h GLU 27 N -0.38 0.26 -0.31 3.15 4.81 0.10 0.36 114.58 122.57 1ilo h GLU 27 Ca 0.01 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1ilo h GLU 27 Cb 0.55 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1ilo h GLU 27 CO 0.01 0.17 0.50 1.25 -0.73 0.00 0.00 179.01 180.21 1ilo h LEU 28 N 0.27 0.00 0.00 1.64 7.12 -0.49 -3.43 115.31 120.42 1ilo h LEU 28 Ca 0.32 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.33 1ilo h LEU 28 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 1ilo h LEU 28 CO -0.40 0.00 0.00 0.61 -0.13 0.00 0.00 178.44 178.52 1ilo n GLY 29 N -1.42 1.24 3.36 3.75 0.00 0.12 -5.09 105.19 107.15 1ilo n GLY 29 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1ilo n GLY 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ilo s ILE 30 N -2.00 -0.60 1.06 -0.61 -4.36 -0.97 -5.04 121.20 108.67 1ilo s ILE 30 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 60.65 60.27 1ilo s ILE 30 Cb 0.00 -1.00 0.22 0.00 1.25 0.00 0.00 42.46 42.93 1ilo s ILE 30 CO 0.00 0.00 1.08 -0.62 0.24 0.00 0.00 174.94 175.64 1ilo s ASP 31 N 2.65 1.84 0.35 4.36 -1.08 -1.26 -2.54 116.67 121.00 1ilo s ASP 31 Ca 0.00 1.77 -0.02 0.00 -0.52 0.00 0.00 52.55 53.78 1ilo s ASP 31 Cb -0.09 -2.40 0.01 0.00 -1.46 0.00 0.00 42.92 38.98 1ilo s ASP 31 CO -0.17 -3.71 0.49 0.00 0.52 0.00 0.00 175.17 172.31 1ilo s ALA 32 N -2.56 0.79 -0.18 3.66 0.00 -1.26 0.16 121.76 122.37 1ilo s ALA 32 Ca 0.67 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1ilo s ALA 32 Cb -0.24 1.14 0.05 0.00 0.00 0.00 0.00 23.12 24.07 1ilo s ALA 32 CO 0.62 -0.80 -0.04 -1.21 0.00 0.00 0.00 175.76 174.33 1ilo s GLU 33 N -2.95 1.34 -0.41 0.00 2.02 -0.60 -4.74 118.70 113.36 1ilo s GLU 33 Ca 0.30 -0.55 -0.15 0.00 0.02 0.00 0.00 54.97 54.59 1ilo s GLU 33 Cb -0.01 -2.07 0.02 0.00 0.10 0.00 0.00 34.13 32.17 1ilo s GLU 33 CO 0.21 -0.48 0.30 -0.06 0.02 0.00 0.00 175.26 175.25 1ilo s PHE 34 N 1.64 3.24 -0.08 1.61 0.40 -1.26 -0.69 117.98 122.84 1ilo s PHE 34 Ca -0.00 -0.63 0.02 0.00 -0.60 0.00 0.00 56.93 55.72 1ilo s PHE 34 Cb -0.16 -2.61 0.01 0.00 0.51 0.00 0.00 43.02 40.77 1ilo s PHE 34 CO -0.07 -0.61 -0.15 -2.00 0.70 0.00 0.00 175.22 173.09 1ilo s GLU 35 N 1.67 2.08 0.47 0.44 2.12 -0.73 -5.02 118.70 119.73 1ilo s GLU 35 Ca 0.05 -0.53 -0.19 0.00 0.36 0.00 0.00 54.97 54.65 1ilo s GLU 35 Cb -0.19 -1.70 -0.09 0.00 0.26 0.00 0.00 34.13 32.40 1ilo s GLU 35 CO 0.10 0.03 0.97 0.15 -0.54 0.00 0.00 175.26 175.96 1ilo s LYS 36 N 0.71 4.08 -0.65 4.30 3.01 -1.26 -2.74 119.74 127.20 1ilo s LYS 36 Ca -0.13 1.06 0.05 0.00 -1.01 0.00 0.00 55.97 55.94 1ilo s LYS 36 Cb -0.16 -2.16 0.18 0.00 -1.01 0.00 0.00 37.83 34.69 1ilo s LYS 36 CO 0.03 -0.16 0.51 0.44 0.51 0.00 0.00 175.35 176.69 1ilo n ILE 37 N -1.07 1.30 -2.08 2.17 -0.00 -0.60 -4.87 119.36 114.22 1ilo n ILE 37 Ca 0.07 -4.71 -0.41 0.00 -0.00 0.00 0.00 62.75 57.71 1ilo n ILE 37 Cb 0.54 -2.10 -0.02 0.00 -0.00 0.00 0.00 39.64 38.07 1ilo n ILE 37 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1ilo n LYS 38 N 1.90 2.67 0.00 6.28 4.81 -1.26 -4.07 118.16 128.48 1ilo n LYS 38 Ca 0.23 -2.79 0.00 0.00 -0.87 0.00 0.00 58.31 54.88 1ilo n LYS 38 Cb 0.38 -3.40 0.00 0.00 0.02 0.00 0.00 35.03 32.03 1ilo n LYS 38 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ilo n GLU 39 N 7.51 0.00 0.25 1.64 1.02 -1.26 -5.02 120.64 124.78 1ilo n GLU 39 Ca 0.49 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.73 1ilo n GLU 39 Cb 0.43 0.00 0.64 0.00 -0.02 0.00 0.00 31.44 32.49 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 -0.96 3.49 -0.00 -1.97 -1.17 114.93 114.32 1ilo h MET 40 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 59.70 59.90 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 0.14 0.61 0.22 -0.00 0.00 0.00 176.91 177.89 1ilo h ASP 41 N 0.00 0.54 0.44 -0.10 1.82 -1.95 1.00 116.42 118.17 1ilo h ASP 41 Ca -0.00 0.06 -0.30 0.00 -0.39 0.00 0.00 57.03 56.40 1ilo h ASP 41 Cb 0.31 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.25 1ilo h ASP 41 CO 0.02 0.20 -1.68 -0.61 -1.61 0.00 0.00 179.24 175.56 1ilo h GLN 42 N 0.53 0.11 -0.22 0.28 4.15 -1.61 -3.21 115.11 115.14 1ilo h GLN 42 Ca 0.52 -0.19 -0.07 0.00 0.77 0.00 0.00 58.65 59.68 1ilo h GLN 42 Cb 1.11 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1ilo h GLN 42 CO -0.25 0.82 -0.12 -0.84 -1.93 0.00 0.00 178.83 176.51 1ilo h ILE 43 N 0.03 1.31 -0.53 2.39 3.07 0.27 -2.89 117.51 121.16 1ilo h ILE 43 Ca -0.29 -1.20 -0.08 0.00 1.55 0.00 0.00 64.86 64.84 1ilo h ILE 43 Cb 2.00 1.61 -0.02 0.00 -0.27 0.00 0.00 36.82 40.14 1ilo h ILE 43 CO 0.10 0.37 0.01 0.17 -1.05 0.00 0.00 178.15 177.75 1ilo h LEU 44 N 0.18 0.86 -2.71 0.16 -0.00 0.72 -1.61 115.31 112.91 1ilo h LEU 44 Ca 0.05 -0.22 -0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1ilo h LEU 44 Cb 0.62 -0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1ilo h LEU 44 CO 0.04 0.92 -0.01 -0.08 -0.00 0.00 0.00 178.44 179.31 1ilo h GLU 45 N 0.82 0.00 0.05 0.17 4.81 -1.54 -0.12 114.58 118.78 1ilo h GLU 45 Ca 0.16 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.14 1ilo h GLU 45 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1ilo h GLU 45 CO 0.02 0.01 -1.06 0.00 -0.73 0.00 0.00 179.01 177.25 1ilo h ALA 46 N 1.99 0.26 0.00 2.92 0.00 -1.08 -3.48 119.26 119.87 1ilo h ALA 46 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1ilo h ALA 46 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ilo h ALA 46 CO 0.00 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.53 1ilo n GLY 47 N 1.17 1.08 3.87 0.00 0.00 -0.06 -4.55 105.19 106.70 1ilo n GLY 47 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 3.39 -0.05 0.99 -0.00 -1.24 -5.00 118.68 116.76 1ilo s LEU 48 Ca 0.00 1.35 0.04 0.00 -0.00 0.00 0.00 54.13 55.52 1ilo s LEU 48 Cb 0.00 -4.36 -0.06 0.00 -0.00 0.00 0.00 46.19 41.77 1ilo s LEU 48 CO 0.00 -0.75 0.00 1.07 -0.00 0.00 0.00 176.35 176.67 1ilo n THR 49 N -2.40 0.36 0.00 5.48 5.66 -1.26 -4.53 114.28 117.59 1ilo n THR 49 Ca 0.05 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1ilo n THR 49 Cb 0.54 -0.84 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 1ilo n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ilo n ALA 50 N -2.28 0.00 -0.10 1.79 0.00 -1.26 -5.06 120.51 113.60 1ilo n ALA 50 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 1ilo n ALA 50 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.06 1ilo n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ilo n LEU 51 N 0.00 1.83 -2.93 0.00 7.99 -1.26 -4.69 117.00 117.94 1ilo n LEU 51 Ca 0.00 0.31 -0.09 0.00 -0.01 0.00 0.00 56.01 56.22 1ilo n LEU 51 Cb 0.00 -0.72 -0.02 0.00 -0.11 0.00 0.00 43.42 42.58 1ilo n LEU 51 CO 0.00 -0.00 1.48 -2.65 -1.51 0.00 0.00 177.39 174.71 1ilo n PRO 52 N -4.28 0.93 -3.19 3.23 -0.02 -1.26 -3.91 135.00 126.50 1ilo n PRO 52 Ca -0.27 -0.82 -0.39 0.00 -2.02 0.00 0.00 63.50 60.01 1ilo n PRO 52 Cb 0.61 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 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 3.89 2.64 -0.12 -1.23 0.00 -1.10 -3.21 107.32 108.19 1ilo s GLY 53 Ca 0.19 0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.94 1ilo s GLY 53 CO -0.01 0.73 0.06 -2.27 0.00 0.00 0.00 173.10 171.60 1ilo s LEU 54 N -0.38 0.46 -0.14 0.66 1.98 0.16 0.10 118.68 121.53 1ilo s LEU 54 Ca 0.31 -0.34 -0.03 0.00 -2.89 0.00 0.00 54.13 51.18 1ilo s LEU 54 Cb -0.19 -0.30 -0.03 0.00 0.66 0.00 0.00 46.19 46.33 1ilo s LEU 54 CO 0.18 -0.29 -0.05 0.00 -1.89 0.00 0.00 176.35 174.31 1ilo s ALA 55 N 2.07 2.98 -0.03 5.97 0.00 -0.98 -3.00 121.76 128.77 1ilo s ALA 55 Ca 0.03 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1ilo s ALA 55 Cb -0.14 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 1ilo s ALA 55 CO -0.06 0.27 -0.22 0.14 0.00 0.00 0.00 175.76 175.89 1ilo s VAL 56 N 0.19 2.42 -0.62 0.00 -7.23 -0.96 -1.86 120.40 112.35 1ilo s VAL 56 Ca -0.03 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 1ilo s VAL 56 Cb -0.14 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.92 1ilo s VAL 56 CO 0.03 0.58 0.00 0.47 -0.31 0.00 0.00 175.10 175.87 1ilo n ASP 57 N 2.40 -2.46 -0.92 4.85 9.92 -0.99 0.27 116.55 129.63 1ilo n ASP 57 Ca -0.16 0.30 -0.02 0.00 -0.53 0.00 0.00 54.79 54.37 1ilo n ASP 57 Cb 0.51 -2.23 0.01 0.00 -0.64 0.00 0.00 41.12 38.78 1ilo n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ilo n GLY 58 N -0.56 0.71 2.82 0.44 0.00 -1.26 -5.05 105.19 102.29 1ilo n GLY 58 Ca -0.08 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.94 0.36 0.08 1.61 -6.30 0.14 -5.13 118.70 104.52 1ilo s GLU 59 Ca 0.05 -0.01 -0.31 0.00 -2.50 0.00 0.00 54.97 52.20 1ilo s GLU 59 Cb -0.02 -0.53 -0.07 0.00 0.00 0.00 0.00 34.13 33.51 1ilo s GLU 59 CO 0.08 -1.01 1.42 -1.17 0.02 0.00 0.00 175.26 174.60 1ilo s LEU 60 N 2.44 4.35 0.00 2.70 1.98 -1.26 -2.26 118.68 126.62 1ilo s LEU 60 Ca 0.10 2.29 0.00 0.00 -2.89 0.00 0.00 54.13 53.62 1ilo s LEU 60 Cb -0.13 -3.58 0.00 0.00 0.66 0.00 0.00 46.19 43.14 1ilo s LEU 60 CO -0.31 -0.70 0.27 1.17 -1.89 0.00 0.00 176.35 174.89 1ilo n LYS 61 N 4.51 0.00 -3.53 1.98 4.81 -1.16 -5.00 118.16 119.77 1ilo n LYS 61 Ca 0.12 -0.27 -0.20 0.00 -0.87 0.00 0.00 58.31 57.10 1ilo n LYS 61 Cb 0.42 -0.34 -0.14 0.00 0.02 0.00 0.00 35.03 34.99 1ilo n LYS 61 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1ilo s ILE 62 N 0.00 -0.26 -0.06 3.15 -1.09 -1.22 -5.01 121.20 116.70 1ilo s ILE 62 Ca 0.00 -0.10 -0.07 0.00 -2.23 0.00 0.00 60.65 58.25 1ilo s ILE 62 Cb 0.00 -0.63 0.02 0.00 -1.58 0.00 0.00 42.46 40.27 1ilo s ILE 62 CO 0.00 -0.21 0.19 -0.32 -1.23 0.00 0.00 174.94 173.38 1ilo s MET 63 N 2.28 0.27 -0.20 2.79 -2.45 -1.20 0.39 119.30 121.18 1ilo s MET 63 Ca 0.05 0.18 0.00 0.00 -1.25 0.00 0.00 55.69 54.68 1ilo s MET 63 Cb -0.16 0.13 0.00 0.00 1.25 0.00 0.00 34.83 36.05 1ilo s MET 63 CO -0.11 -0.04 0.00 0.41 1.05 0.00 0.00 175.02 176.33 1ilo n GLY 64 N 2.74 0.36 3.15 2.11 0.00 -1.21 -4.87 105.19 107.48 1ilo n GLY 64 Ca -0.14 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.53 0.05 0.47 1.61 6.06 -1.26 -4.91 118.95 119.44 1ilo s ARG 65 Ca 0.00 0.07 -0.24 0.00 -2.50 0.00 0.00 55.73 53.06 1ilo s ARG 65 Cb 0.00 0.03 -0.08 0.00 0.06 0.00 0.00 34.95 34.96 1ilo s ARG 65 CO 0.00 -0.09 1.20 0.28 -2.50 0.00 0.00 175.30 174.20 1ilo n VAL 66 N 5.20 2.95 -2.71 7.11 0.31 -1.26 -4.92 118.33 125.01 1ilo n VAL 66 Ca 0.03 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.51 1ilo n VAL 66 Cb 0.57 -1.46 -0.06 0.00 -0.91 0.00 0.00 33.84 31.98 1ilo n VAL 66 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ilo s ALA 67 N -1.27 3.08 0.57 3.52 0.00 -1.26 -4.96 121.76 121.45 1ilo s ALA 67 Ca 0.65 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 53.13 1ilo s ALA 67 Cb -0.48 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.46 1ilo s ALA 67 CO 0.55 0.01 0.83 -1.54 0.00 0.00 0.00 175.76 175.60 1ilo s SER 68 N -1.83 5.30 0.25 0.00 1.04 -1.26 -4.40 113.70 112.80 1ilo s SER 68 Ca 0.58 0.25 -0.04 0.00 0.48 0.00 0.00 55.95 57.22 1ilo s SER 68 Cb -0.16 -1.15 0.41 0.00 0.10 0.00 0.00 66.02 65.21 1ilo s SER 68 CO 0.21 -1.16 1.83 0.07 0.98 0.00 0.00 173.24 175.16 1ilo h LYS 69 N -0.06 0.85 -0.39 4.02 2.10 -1.96 0.63 116.57 121.76 1ilo h LYS 69 Ca -0.44 -0.05 -0.15 0.00 -2.00 0.00 0.00 60.65 58.02 1ilo h LYS 69 Cb 1.29 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 1ilo h LYS 69 CO 0.56 0.57 -0.32 1.49 -2.00 0.00 0.00 179.45 179.74 1ilo h GLU 70 N 0.88 0.91 -0.31 0.07 4.57 -1.98 -1.31 114.58 117.41 1ilo h GLU 70 Ca 0.41 -0.46 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1ilo h GLU 70 Cb 0.33 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1ilo h GLU 70 CO -0.23 1.11 0.10 0.93 -1.18 0.00 0.00 179.01 179.74 1ilo h GLU 71 N 0.73 0.48 0.03 1.92 4.39 -1.73 -1.12 114.58 119.28 1ilo h GLU 71 Ca 0.07 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ilo h GLU 71 Cb 0.91 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1ilo h GLU 71 CO 0.08 0.52 -0.02 0.82 -1.16 0.00 0.00 179.01 179.26 1ilo h ILE 72 N 0.35 1.18 -0.36 3.13 2.04 -0.90 -2.06 117.51 120.88 1ilo h ILE 72 Ca 0.10 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.34 1ilo h ILE 72 Cb 0.24 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1ilo h ILE 72 CO -0.00 0.17 0.25 0.50 0.00 0.00 0.00 178.15 179.07 1ilo h LYS 73 N -0.34 0.21 -0.22 2.37 3.64 -1.22 0.29 116.57 121.31 1ilo h LYS 73 Ca -0.00 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 1ilo h LYS 73 Cb 0.32 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1ilo h LYS 73 CO 0.01 0.14 -0.63 0.87 -2.27 0.00 0.00 179.45 177.57 1ilo h LYS 74 N 0.22 0.76 -0.01 1.90 1.79 -1.01 -1.83 116.57 118.40 1ilo h LYS 74 Ca 0.16 -0.53 -0.25 0.00 -2.18 0.00 0.00 60.65 57.86 1ilo h LYS 74 Cb 0.37 0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1ilo h LYS 74 CO -0.03 1.15 -0.99 0.82 -1.08 0.00 0.00 179.45 179.32 1ilo h ILE 75 N 0.56 1.32 0.27 1.86 2.04 -0.53 -3.32 117.51 119.72 1ilo h ILE 75 Ca -0.01 -2.30 -0.01 0.00 1.00 0.00 0.00 64.86 63.54 1ilo h ILE 75 Cb 1.22 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1ilo h ILE 75 CO 0.13 0.70 -0.13 -0.07 0.00 0.00 0.00 178.15 178.78 1ilo h LEU 76 N 0.35 -0.31 0.00 1.44 4.07 -0.49 -3.51 115.31 116.86 1ilo h LEU 76 Ca -0.11 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1ilo h LEU 76 Cb 1.63 0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.45 1ilo h LEU 76 CO 0.19 -0.05 0.00 -0.24 -1.08 0.00 0.00 178.44 177.25