#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 3.85 -0.62 0.03 -2.45 0.31 -4.71 119.30 115.70 1ilo s MET 2 Ca 0.00 1.04 -0.27 0.00 -1.25 0.00 0.00 55.69 55.21 1ilo s MET 2 Cb 0.00 -3.88 -0.01 0.00 1.25 0.00 0.00 34.83 32.19 1ilo s MET 2 CO 0.00 -1.20 1.76 0.15 1.05 0.00 0.00 175.02 176.77 1ilo s LYS 3 N 4.25 2.75 -0.20 4.11 3.01 -1.26 -1.93 119.74 130.47 1ilo s LYS 3 Ca 0.54 0.49 -0.06 0.00 -1.01 0.00 0.00 55.97 55.92 1ilo s LYS 3 Cb -0.14 -4.34 -0.03 0.00 -1.01 0.00 0.00 37.83 32.31 1ilo s LYS 3 CO 0.25 -2.60 0.03 0.42 0.51 0.00 0.00 175.35 173.96 1ilo s ILE 4 N 8.42 4.29 -0.19 2.17 1.01 -1.07 0.50 121.20 136.32 1ilo s ILE 4 Ca 0.62 -0.20 -0.06 0.00 0.00 0.00 0.00 60.65 61.01 1ilo s ILE 4 Cb -0.12 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 1ilo s ILE 4 CO 0.20 0.42 0.02 -1.10 0.00 0.00 0.00 174.94 174.48 1ilo s GLN 5 N 0.92 3.72 -0.43 2.79 -1.52 0.93 -2.68 119.66 123.38 1ilo s GLN 5 Ca 0.02 -0.47 -0.08 0.00 -1.95 0.00 0.00 55.36 52.88 1ilo s GLN 5 Cb -0.14 -3.12 0.10 0.00 -0.22 0.00 0.00 33.01 29.63 1ilo s GLN 5 CO 0.02 0.09 0.27 0.42 -0.25 0.00 0.00 175.29 175.85 1ilo s ILE 6 N 0.82 4.06 -0.18 1.08 1.09 -1.12 -2.25 121.20 124.70 1ilo s ILE 6 Ca 0.01 -1.63 -0.21 0.00 -1.10 0.00 0.00 60.65 57.73 1ilo s ILE 6 Cb -0.14 -3.58 -0.03 0.00 -1.06 0.00 0.00 42.46 37.65 1ilo s ILE 6 CO 0.02 -0.61 0.63 -0.31 -0.10 0.00 0.00 174.94 174.57 1ilo s TYR 7 N 1.36 3.40 0.00 3.97 2.02 0.23 -1.48 117.35 126.85 1ilo s TYR 7 Ca 0.04 0.96 0.00 0.00 -0.37 0.00 0.00 57.07 57.70 1ilo s TYR 7 Cb -0.24 -2.79 0.00 0.00 -0.40 0.00 0.00 41.96 38.53 1ilo s TYR 7 CO 0.00 -0.14 0.00 0.41 -1.57 0.00 0.00 175.55 174.25 1ilo n GLY 8 N 3.71 0.78 3.29 0.71 0.00 -1.25 -2.88 105.19 109.53 1ilo n GLY 8 Ca -0.01 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1ilo n GLY 8 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ilo n THR 9 N 0.00 -2.72 0.00 2.61 5.66 -1.26 -4.42 114.28 114.15 1ilo n THR 9 Ca 0.00 0.38 0.00 0.00 -3.05 0.00 0.00 64.05 61.38 1ilo n THR 9 Cb 0.00 -3.22 0.00 0.00 -1.55 0.00 0.00 70.33 65.56 1ilo n THR 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ilo n GLY 10 N 0.81 2.86 0.05 1.09 0.00 -1.26 -4.85 105.19 103.89 1ilo n GLY 10 Ca -0.03 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.39 3.72 -0.99 0.00 0.00 -1.26 -4.97 121.76 117.87 1ilo s ALA 12 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1ilo s ALA 12 Cb 0.01 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1ilo s ALA 12 CO 0.03 0.39 0.42 0.09 0.00 0.00 0.00 175.76 176.69 1ilo n ASN 13 N 2.75 0.84 0.33 0.00 3.02 -1.26 -4.11 115.26 116.83 1ilo n ASN 13 Ca -0.18 -1.65 0.19 0.00 -0.03 0.00 0.00 54.58 52.91 1ilo n ASN 13 Cb 0.53 -0.41 1.04 0.00 -0.61 0.00 0.00 39.78 40.33 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 0.57 0.21 0.00 3.07 -1.99 0.53 115.11 117.50 1ilo h GLN 15 Ca 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 1ilo h GLN 15 Cb 0.28 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.72 1ilo h GLN 15 CO 0.00 0.38 -0.10 0.52 0.09 0.00 0.00 178.83 179.72 1ilo h MET 16 N 0.59 -0.27 0.00 0.06 2.86 -1.80 -2.74 114.93 113.63 1ilo h MET 16 Ca 0.59 0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 58.18 1ilo h MET 16 Cb 1.16 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1ilo h MET 16 CO -0.36 -0.01 -0.30 1.25 1.06 0.00 0.00 176.91 178.56 1ilo h LEU 17 N -0.51 0.00 -0.37 1.22 5.85 -1.48 -2.38 115.31 117.64 1ilo h LEU 17 Ca -0.03 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1ilo h LEU 17 Cb 0.38 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1ilo h LEU 17 CO 0.05 0.30 0.14 -0.08 -0.34 0.00 0.00 178.44 178.50 1ilo h GLU 18 N 0.00 0.29 -0.11 1.25 4.22 0.23 0.32 114.58 120.78 1ilo h GLU 18 Ca -0.00 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.35 1ilo h GLU 18 Cb 0.57 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ilo h GLU 18 CO 0.04 0.19 -0.21 0.87 -2.18 0.00 0.00 179.01 177.72 1ilo h LYS 19 N 0.29 0.34 0.09 1.92 1.79 -1.27 -2.88 116.57 116.85 1ilo h LYS 19 Ca 0.17 -0.22 0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1ilo h LYS 19 Cb 0.13 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 1ilo h LYS 19 CO -0.16 0.81 -0.18 -0.91 -1.08 0.00 0.00 179.45 177.93 1ilo h ASN 20 N -0.09 -0.51 -0.78 0.86 2.35 -1.19 -2.63 115.58 113.58 1ilo h ASN 20 Ca 0.01 0.06 0.10 0.00 -0.55 0.00 0.00 56.30 55.92 1ilo h ASN 20 Cb 0.80 0.20 -0.08 0.00 0.05 0.00 0.00 38.32 39.29 1ilo h ASN 20 CO 0.05 -0.26 0.42 0.00 -1.65 0.00 0.00 177.43 175.99 1ilo h ALA 21 N 0.50 1.12 -0.68 -0.83 0.00 -0.45 -0.33 119.26 118.59 1ilo h ALA 21 Ca 0.03 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1ilo h ALA 21 Cb 0.37 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1ilo h ALA 21 CO -0.11 0.01 0.40 0.00 0.00 0.00 0.00 179.25 179.55 1ilo h ARG 22 N 0.69 0.74 0.02 0.00 3.08 -1.24 0.50 114.38 118.17 1ilo h ARG 22 Ca 0.39 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 1ilo h ARG 22 Cb 0.42 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ilo h ARG 22 CO -0.28 0.49 -0.01 1.49 -1.07 0.00 0.00 179.97 180.59 1ilo h GLU 23 N 0.76 -0.03 -0.01 0.04 4.81 -1.09 -2.83 114.58 116.22 1ilo h GLU 23 Ca 0.29 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1ilo h GLU 23 Cb 0.11 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1ilo h GLU 23 CO -0.15 0.65 0.00 0.00 -0.73 0.00 0.00 179.01 178.78 1ilo h ALA 24 N 0.18 0.02 0.01 2.92 0.00 -1.00 1.00 119.26 122.38 1ilo h ALA 24 Ca -0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ilo h ALA 24 Cb 0.69 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1ilo h ALA 24 CO 0.00 -0.40 -0.25 -0.24 0.00 0.00 0.00 179.25 178.37 1ilo h VAL 25 N -0.14 0.44 0.01 0.00 3.04 -0.12 1.17 116.25 120.64 1ilo h VAL 25 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1ilo h VAL 25 Cb 0.17 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 29.88 1ilo h VAL 25 CO -0.00 0.00 -0.00 0.11 -1.01 0.00 0.00 177.57 176.67 1ilo h LYS 26 N -0.38 -0.01 -0.99 4.17 1.57 -1.22 -3.05 116.57 116.66 1ilo h LYS 26 Ca 0.06 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1ilo h LYS 26 Cb 0.46 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 1ilo h LYS 26 CO -0.22 0.34 0.64 1.49 -0.57 0.00 0.00 179.45 181.14 1ilo h GLU 27 N -0.36 1.16 -0.09 3.15 4.81 0.13 -0.26 114.58 123.12 1ilo h GLU 27 Ca -0.00 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1ilo h GLU 27 Cb 0.35 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1ilo h GLU 27 CO 0.00 0.77 0.41 1.25 -0.73 0.00 0.00 179.01 180.71 1ilo h LEU 28 N 1.19 0.00 0.00 1.64 5.85 0.15 -3.43 115.31 120.71 1ilo h LEU 28 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1ilo h LEU 28 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1ilo h LEU 28 CO -0.15 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.56 1ilo n GLY 29 N -1.30 1.75 3.46 3.75 0.00 -0.15 -5.09 105.19 107.61 1ilo n GLY 29 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.46 1.01 -0.61 -4.36 -0.96 -5.01 121.20 108.80 1ilo s ILE 30 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 60.65 60.28 1ilo s ILE 30 Cb 0.00 -1.00 0.20 0.00 1.25 0.00 0.00 42.46 42.91 1ilo s ILE 30 CO 0.00 0.00 1.09 -0.62 0.24 0.00 0.00 174.94 175.65 1ilo s ASP 31 N 2.32 2.17 -0.14 4.36 2.15 -1.26 -2.46 116.67 123.81 1ilo s ASP 31 Ca -0.04 1.88 -0.13 0.00 0.43 0.00 0.00 52.55 54.69 1ilo s ASP 31 Cb -0.06 -2.44 0.04 0.00 -0.30 0.00 0.00 42.92 40.15 1ilo s ASP 31 CO -0.17 -3.52 0.38 0.00 -0.17 0.00 0.00 175.17 171.69 1ilo s ALA 32 N -2.59 -0.94 -0.39 3.66 0.00 -1.26 0.13 121.76 120.37 1ilo s ALA 32 Ca 0.67 1.07 -0.14 0.00 0.00 0.00 0.00 51.96 53.57 1ilo s ALA 32 Cb -0.23 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.28 1ilo s ALA 32 CO 0.61 -0.18 0.27 -1.21 0.00 0.00 0.00 175.76 175.25 1ilo s GLU 33 N 0.19 3.06 -0.44 0.00 2.02 -0.81 -4.79 118.70 117.93 1ilo s GLU 33 Ca -0.00 -0.95 -0.19 0.00 0.02 0.00 0.00 54.97 53.85 1ilo s GLU 33 Cb -0.03 -3.90 0.03 0.00 0.10 0.00 0.00 34.13 30.33 1ilo s GLU 33 CO 0.01 -0.68 0.53 -0.06 0.02 0.00 0.00 175.26 175.08 1ilo s PHE 34 N 1.67 3.12 -0.12 1.61 0.40 -1.26 -2.60 117.98 120.80 1ilo s PHE 34 Ca 0.05 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 56.09 1ilo s PHE 34 Cb -0.19 -3.14 0.00 0.00 0.51 0.00 0.00 43.02 40.20 1ilo s PHE 34 CO 0.10 -0.81 -0.22 -1.21 0.70 0.00 0.00 175.22 173.78 1ilo s GLU 35 N 2.42 3.08 0.44 0.44 8.01 -1.09 -5.03 118.70 126.97 1ilo s GLU 35 Ca 0.16 -0.85 -0.21 0.00 0.01 0.00 0.00 54.97 54.08 1ilo s GLU 35 Cb -0.17 -2.38 -0.10 0.00 -4.31 0.00 0.00 34.13 27.17 1ilo s GLU 35 CO 0.15 0.12 0.97 0.15 0.01 0.00 0.00 175.26 176.66 1ilo s LYS 36 N 0.50 4.12 -0.78 1.61 1.02 -1.26 -2.79 119.74 122.17 1ilo s LYS 36 Ca -0.14 1.18 0.03 0.00 0.02 0.00 0.00 55.97 57.06 1ilo s LYS 36 Cb -0.17 -2.16 0.22 0.00 -0.52 0.00 0.00 37.83 35.19 1ilo s LYS 36 CO 0.05 -0.13 0.73 0.44 -0.92 0.00 0.00 175.35 175.52 1ilo n ILE 37 N -0.71 2.53 -1.91 2.17 -0.00 -0.55 -4.87 119.36 116.02 1ilo n ILE 37 Ca 0.08 -5.12 -0.39 0.00 -0.00 0.00 0.00 62.75 57.31 1ilo n ILE 37 Cb 0.54 -2.21 -0.03 0.00 -0.00 0.00 0.00 39.64 37.93 1ilo n ILE 37 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 1ilo n LYS 38 N 1.71 2.33 0.00 6.28 2.85 -1.26 -4.27 118.16 125.80 1ilo n LYS 38 Ca 0.24 -2.58 0.00 0.00 -1.05 0.00 0.00 58.31 54.92 1ilo n LYS 38 Cb 0.37 -3.36 0.00 0.00 -0.65 0.00 0.00 35.03 31.39 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 7.47 0.00 0.34 -1.58 -0.58 -1.26 -5.00 120.64 120.03 1ilo n GLU 39 Ca 0.49 0.00 0.22 0.00 -0.42 0.00 0.00 57.16 57.45 1ilo n GLU 39 Cb 0.43 0.00 1.17 0.00 -0.57 0.00 0.00 31.44 32.47 1ilo n GLU 39 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1ilo h MET 40 N 0.00 0.00 -0.81 3.49 2.86 -1.97 -1.32 114.93 117.18 1ilo h MET 40 Ca 0.00 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.79 1ilo h MET 40 Cb 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.56 1ilo h MET 40 CO 0.00 0.00 0.37 -0.44 1.06 0.00 0.00 176.91 177.90 1ilo h ASP 41 N 0.00 0.40 0.41 1.22 5.19 -1.94 0.98 116.42 122.68 1ilo h ASP 41 Ca 0.00 0.11 -0.31 0.00 -0.62 0.00 0.00 57.03 56.20 1ilo h ASP 41 Cb 0.08 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 1ilo h ASP 41 CO -0.00 0.15 -1.68 -0.61 -3.12 0.00 0.00 179.24 173.98 1ilo h GLN 42 N 0.52 0.17 0.47 3.56 4.15 -1.61 -3.19 115.11 119.18 1ilo h GLN 42 Ca 0.45 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 1ilo h GLN 42 Cb 0.68 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.48 1ilo h GLN 42 CO -0.40 0.94 -0.23 0.82 -1.93 0.00 0.00 178.83 178.04 1ilo h ILE 43 N 0.05 0.53 -0.57 2.39 2.04 -0.56 -2.66 117.51 118.73 1ilo h ILE 43 Ca -0.29 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1ilo h ILE 43 Cb 2.01 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 1ilo h ILE 43 CO 0.12 0.02 0.34 0.17 0.00 0.00 0.00 178.15 178.80 1ilo h LEU 44 N -0.70 0.67 -1.60 1.44 -0.00 0.77 -0.95 115.31 114.94 1ilo h LEU 44 Ca -0.06 -0.03 0.10 0.00 -0.00 0.00 0.00 57.88 57.88 1ilo h LEU 44 Cb 0.52 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 40.97 1ilo h LEU 44 CO 0.11 0.52 0.42 -0.08 -0.00 0.00 0.00 178.44 179.40 1ilo h GLU 45 N 0.78 0.44 -0.02 0.17 4.81 -1.48 -0.72 114.58 118.56 1ilo h GLU 45 Ca 0.21 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.22 1ilo h GLU 45 Cb -0.03 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.26 1ilo h GLU 45 CO -0.04 0.29 -0.74 0.00 -0.73 0.00 0.00 179.01 177.79 1ilo h ALA 46 N 1.68 0.11 -0.05 2.92 0.00 -0.86 -3.48 119.26 119.58 1ilo h ALA 46 Ca 0.29 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ilo h ALA 46 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ilo h ALA 46 CO -0.08 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1ilo n GLY 47 N 1.02 0.63 0.32 0.00 0.00 -0.28 -4.82 105.19 102.08 1ilo n GLY 47 Ca -0.10 -0.75 0.09 0.00 0.00 0.00 0.00 46.02 45.27 1ilo n GLY 47 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ilo h LEU 48 N 0.00 0.60 0.00 0.99 -0.00 -1.85 -3.45 115.31 111.59 1ilo h LEU 48 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1ilo h LEU 48 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 1ilo h LEU 48 CO 0.00 0.23 0.00 0.35 -0.00 0.00 0.00 178.44 179.02 1ilo n THR 49 N -4.85 0.00 -2.04 0.22 -2.24 -1.26 -4.73 114.28 99.37 1ilo n THR 49 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1ilo n THR 49 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.60 0.00 -0.08 6.98 0.00 -1.26 -5.00 120.51 120.55 1ilo n ALA 50 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1ilo n ALA 50 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 1.71 -2.60 0.00 4.32 -1.26 -4.65 117.00 114.51 1ilo n LEU 51 Ca 0.00 0.32 -0.03 0.00 -0.02 0.00 0.00 56.01 56.28 1ilo n LEU 51 Cb 0.00 -0.72 -0.02 0.00 -1.62 0.00 0.00 43.42 41.06 1ilo n LEU 51 CO 0.00 -0.31 0.86 -2.65 -1.22 0.00 0.00 177.39 174.07 1ilo n PRO 52 N -4.24 0.37 -2.83 3.23 -0.02 -1.25 -3.96 135.00 126.29 1ilo n PRO 52 Ca -0.12 -0.32 -0.40 0.00 -2.02 0.00 0.00 63.50 60.64 1ilo n PRO 52 Cb 0.44 -1.73 -0.05 0.00 -0.02 0.00 0.00 33.50 32.14 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 3.35 2.99 -0.28 -1.23 0.00 -1.14 -3.25 107.32 107.75 1ilo s GLY 53 Ca 0.10 0.49 -0.03 0.00 0.00 0.00 0.00 44.72 45.29 1ilo s GLY 53 CO -0.00 1.19 0.11 -2.27 0.00 0.00 0.00 173.10 172.12 1ilo s LEU 54 N -0.61 1.24 -0.15 0.66 1.98 0.25 -0.60 118.68 121.45 1ilo s LEU 54 Ca 0.41 -1.34 -0.06 0.00 -2.89 0.00 0.00 54.13 50.25 1ilo s LEU 54 Cb -0.24 -0.56 -0.04 0.00 0.66 0.00 0.00 46.19 46.01 1ilo s LEU 54 CO 0.29 -0.41 0.05 0.00 -1.89 0.00 0.00 176.35 174.38 1ilo s ALA 55 N 1.89 3.40 -0.02 5.97 0.00 -0.95 -3.60 121.76 128.45 1ilo s ALA 55 Ca 0.08 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1ilo s ALA 55 Cb -0.17 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 1ilo s ALA 55 CO -0.28 0.33 -0.15 0.14 0.00 0.00 0.00 175.76 175.80 1ilo s VAL 56 N -0.10 3.00 -1.13 0.00 -7.23 -0.16 -0.05 120.40 114.73 1ilo s VAL 56 Ca 0.06 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 1ilo s VAL 56 Cb -0.12 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1ilo s VAL 56 CO 0.01 0.52 0.00 -0.67 -0.31 0.00 0.00 175.10 174.65 1ilo n ASP 57 N 2.09 -3.21 -0.04 4.85 2.03 0.18 0.45 116.55 122.90 1ilo n ASP 57 Ca -0.17 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1ilo n ASP 57 Cb 0.52 -2.96 0.00 0.00 -0.72 0.00 0.00 41.12 37.96 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 -0.39 0.83 2.62 0.27 0.00 -1.26 -5.02 105.19 102.24 1ilo n GLY 58 Ca -0.12 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 1ilo n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ilo s GLU 59 N -3.23 0.23 -0.03 1.61 0.41 0.17 -5.11 118.70 112.75 1ilo s GLU 59 Ca 0.00 -0.32 -0.27 0.00 -0.41 0.00 0.00 54.97 53.97 1ilo s GLU 59 Cb 0.00 -1.69 -0.03 0.00 -1.78 0.00 0.00 34.13 30.62 1ilo s GLU 59 CO 0.00 -0.78 0.84 -0.48 -0.49 0.00 0.00 175.26 174.35 1ilo s LEU 60 N 2.06 4.35 0.00 1.80 -0.00 -1.26 -0.99 118.68 124.63 1ilo s LEU 60 Ca 0.04 1.43 0.00 0.00 -0.00 0.00 0.00 54.13 55.60 1ilo s LEU 60 Cb -0.16 -3.33 0.00 0.00 -0.00 0.00 0.00 46.19 42.69 1ilo s LEU 60 CO -0.18 -0.19 0.11 0.29 -0.00 0.00 0.00 176.35 176.38 1ilo n LYS 61 N 3.82 -0.05 -3.68 1.48 5.02 -1.24 -4.97 118.16 118.55 1ilo n LYS 61 Ca 0.02 -0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.10 1ilo n LYS 61 Cb 0.51 -0.54 -0.11 0.00 -0.02 0.00 0.00 35.03 34.87 1ilo n LYS 61 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1ilo s ILE 62 N -0.01 -0.34 0.00 -0.18 -5.25 -1.26 -5.05 121.20 109.12 1ilo s ILE 62 Ca 0.00 0.17 -0.08 0.00 -0.99 0.00 0.00 60.65 59.74 1ilo s ILE 62 Cb 0.00 -0.57 0.00 0.00 2.95 0.00 0.00 42.46 44.84 1ilo s ILE 62 CO 0.00 0.07 0.16 0.00 -1.79 0.00 0.00 174.94 173.38 1ilo s MET 63 N 2.05 0.53 -1.23 0.37 0.23 -1.24 -0.58 119.30 119.42 1ilo s MET 63 Ca -0.04 -0.40 0.00 0.00 -1.03 0.00 0.00 55.69 54.21 1ilo s MET 63 Cb -0.11 0.22 0.00 0.00 -1.53 0.00 0.00 34.83 33.42 1ilo s MET 63 CO -0.11 -0.13 0.00 0.41 -2.03 0.00 0.00 175.02 173.15 1ilo n GLY 64 N 1.34 1.11 3.10 3.16 0.00 -1.20 -4.82 105.19 107.87 1ilo n GLY 64 Ca -0.22 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.87 0.50 0.03 1.61 3.52 -1.26 -4.95 118.95 115.53 1ilo s ARG 65 Ca 0.00 0.08 -0.30 0.00 -0.13 0.00 0.00 55.73 55.38 1ilo s ARG 65 Cb 0.00 0.12 -0.09 0.00 -1.56 0.00 0.00 34.95 33.42 1ilo s ARG 65 CO 0.00 -0.81 1.96 0.08 -0.81 0.00 0.00 175.30 175.72 1ilo s VAL 66 N 2.35 3.04 0.11 7.11 1.01 -1.26 -4.91 120.40 127.85 1ilo s VAL 66 Ca 0.16 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 1ilo s VAL 66 Cb -0.04 -3.03 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 1ilo s VAL 66 CO -0.17 -0.00 1.64 0.00 0.00 0.00 0.00 175.10 176.57 1ilo s ALA 67 N 4.43 3.73 1.20 5.51 0.00 -1.26 -4.89 121.76 130.48 1ilo s ALA 67 Ca 0.88 1.29 -0.13 0.00 0.00 0.00 0.00 51.96 54.00 1ilo s ALA 67 Cb -0.42 -3.68 0.30 0.00 0.00 0.00 0.00 23.12 19.32 1ilo s ALA 67 CO 0.41 -1.01 1.02 0.45 0.00 0.00 0.00 175.76 176.63 1ilo s SER 68 N 2.00 0.68 0.06 0.00 0.15 -1.26 -4.60 113.70 110.74 1ilo s SER 68 Ca 0.73 1.52 -0.35 0.00 0.70 0.00 0.00 55.95 58.55 1ilo s SER 68 Cb -0.42 -2.33 -0.20 0.00 -1.71 0.00 0.00 66.02 61.37 1ilo s SER 68 CO 0.32 -4.38 1.56 0.11 1.20 0.00 0.00 173.24 172.05 1ilo h LYS 69 N -2.75 -1.07 -0.30 5.44 1.57 -1.95 -2.44 116.57 115.07 1ilo h LYS 69 Ca -0.63 0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.21 1ilo h LYS 69 Cb 1.34 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.87 1ilo h LYS 69 CO 0.50 -0.71 0.16 0.93 -0.57 0.00 0.00 179.45 179.76 1ilo h GLU 70 N -1.13 0.41 -0.82 3.15 5.08 -1.99 -1.92 114.58 117.35 1ilo h GLU 70 Ca -0.11 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1ilo h GLU 70 Cb 0.85 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 1ilo h GLU 70 CO 0.19 0.31 0.54 0.93 -1.00 0.00 0.00 179.01 179.98 1ilo h GLU 71 N 0.42 0.94 0.15 2.33 4.39 -1.85 0.39 114.58 121.35 1ilo h GLU 71 Ca 0.11 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1ilo h GLU 71 Cb 0.03 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1ilo h GLU 71 CO -0.02 0.62 -0.07 0.82 -1.16 0.00 0.00 179.01 179.20 1ilo h ILE 72 N 0.97 1.00 -0.16 3.13 2.04 -0.87 -1.26 117.51 122.36 1ilo h ILE 72 Ca 0.34 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 1ilo h ILE 72 Cb 0.12 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1ilo h ILE 72 CO -0.11 0.21 -0.07 0.50 0.00 0.00 0.00 178.15 178.68 1ilo h LYS 73 N -0.66 0.23 -0.00 2.37 3.11 -1.31 -1.15 116.57 119.16 1ilo h LYS 73 Ca -0.02 -0.04 -0.15 0.00 -2.81 0.00 0.00 60.65 57.63 1ilo h LYS 73 Cb 0.49 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.66 1ilo h LYS 73 CO 0.03 0.32 -0.70 -0.22 -2.81 0.00 0.00 179.45 176.08 1ilo h LYS 74 N 0.23 0.01 -0.01 1.90 3.11 -0.21 0.50 116.57 122.11 1ilo h LYS 74 Ca 0.05 -0.01 -0.24 0.00 -2.81 0.00 0.00 60.65 57.64 1ilo h LYS 74 Cb 0.28 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.52 1ilo h LYS 74 CO 0.01 0.70 -0.98 0.82 -2.81 0.00 0.00 179.45 177.19 1ilo h ILE 75 N 0.01 1.34 -0.64 2.00 2.04 -0.48 -3.20 117.51 118.58 1ilo h ILE 75 Ca -0.01 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.52 1ilo h ILE 75 Cb 1.23 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1ilo h ILE 75 CO 0.09 0.71 0.00 0.18 0.00 0.00 0.00 178.15 179.13 1ilo n LEU 76 N -3.80 3.84 0.00 1.44 7.99 -0.50 -5.10 117.00 120.86 1ilo n LEU 76 Ca -0.09 -1.85 0.00 0.00 -0.01 0.00 0.00 56.01 54.06 1ilo n LEU 76 Cb 0.85 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 1ilo n LEU 76 CO 0.53 0.92 0.00 -0.24 -1.51 0.00 0.00 177.39 177.10