#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 3.86 -0.60 0.03 1.00 0.95 -4.72 119.30 119.82 1ilo s MET 2 Ca 0.00 1.01 -0.27 0.00 0.00 0.00 0.00 55.69 56.44 1ilo s MET 2 Cb 0.00 -3.88 -0.02 0.00 0.00 0.00 0.00 34.83 30.93 1ilo s MET 2 CO 0.00 -1.20 1.85 0.15 0.00 0.00 0.00 175.02 175.83 1ilo s LYS 3 N 4.23 2.66 -0.16 2.03 1.02 -1.26 -1.65 119.74 126.61 1ilo s LYS 3 Ca 0.53 0.64 -0.04 0.00 0.02 0.00 0.00 55.97 57.12 1ilo s LYS 3 Cb -0.13 -4.38 -0.03 0.00 -0.52 0.00 0.00 37.83 32.78 1ilo s LYS 3 CO 0.25 -2.69 -0.03 0.42 -0.92 0.00 0.00 175.35 172.37 1ilo s ILE 4 N 8.95 3.86 -0.03 2.17 1.09 -0.82 -0.24 121.20 136.17 1ilo s ILE 4 Ca 0.68 -0.37 0.02 0.00 -1.10 0.00 0.00 60.65 59.88 1ilo s ILE 4 Cb -0.13 -2.70 -0.03 0.00 -1.06 0.00 0.00 42.46 38.54 1ilo s ILE 4 CO 0.21 0.48 -0.07 -1.10 -0.10 0.00 0.00 174.94 174.36 1ilo s GLN 5 N 0.49 2.62 -0.21 2.79 -1.52 0.14 -1.96 119.66 122.02 1ilo s GLN 5 Ca -0.03 -0.66 0.01 0.00 -1.95 0.00 0.00 55.36 52.74 1ilo s GLN 5 Cb -0.14 -2.53 0.04 0.00 -0.22 0.00 0.00 33.01 30.16 1ilo s GLN 5 CO 0.03 0.63 -0.13 0.42 -0.25 0.00 0.00 175.29 175.98 1ilo s ILE 6 N -0.91 1.88 -0.35 1.08 1.01 -1.13 -2.12 121.20 120.65 1ilo s ILE 6 Ca 0.15 -1.14 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 1ilo s ILE 6 Cb -0.11 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.50 1ilo s ILE 6 CO 0.05 0.22 0.17 -0.31 0.00 0.00 0.00 174.94 175.07 1ilo s TYR 7 N 1.30 3.24 0.00 3.97 2.02 0.34 -1.93 117.35 126.28 1ilo s TYR 7 Ca -0.01 -1.06 0.00 0.00 -0.37 0.00 0.00 57.07 55.62 1ilo s TYR 7 Cb -0.16 -2.38 0.00 0.00 -0.40 0.00 0.00 41.96 39.02 1ilo s TYR 7 CO -0.09 -0.65 0.00 0.41 -1.57 0.00 0.00 175.55 173.65 1ilo n GLY 8 N 4.94 -0.64 3.00 0.71 0.00 -1.26 -2.88 105.19 109.05 1ilo n GLY 8 Ca -0.12 0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.76 0.00 2.61 -2.24 -1.26 -4.41 114.28 108.22 1ilo n THR 9 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ilo n THR 9 Cb 0.00 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 66.61 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 -0.99 -2.02 1.57 3.38 0.00 -1.26 -4.96 105.19 100.91 1ilo n GLY 10 Ca -0.05 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.18 1.69 -0.95 0.00 0.00 -1.26 -4.74 121.76 113.31 1ilo s ALA 12 Ca 0.50 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1ilo s ALA 12 Cb 0.43 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1ilo s ALA 12 CO 0.06 0.20 0.43 0.09 0.00 0.00 0.00 175.76 176.54 1ilo n ASN 13 N 3.67 0.89 0.33 0.00 3.02 -1.26 -4.12 115.26 117.79 1ilo n ASN 13 Ca -0.21 -1.64 0.18 0.00 -0.03 0.00 0.00 54.58 52.88 1ilo n ASN 13 Cb 0.52 -0.41 0.94 0.00 -0.61 0.00 0.00 39.78 40.22 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 0.63 0.00 3.07 -1.99 0.57 115.11 117.96 1ilo h GLN 15 Ca 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.67 1ilo h GLN 15 Cb 0.45 -0.13 0.01 0.00 0.08 0.00 0.00 27.48 27.89 1ilo h GLN 15 CO 0.00 0.38 -0.30 0.52 0.09 0.00 0.00 178.83 179.51 1ilo h MET 16 N 0.59 -0.82 -0.23 0.06 2.86 -1.78 -2.74 114.93 112.87 1ilo h MET 16 Ca 0.55 0.06 0.02 0.00 -2.06 0.00 0.00 59.70 58.27 1ilo h MET 16 Cb 0.94 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 1ilo h MET 16 CO -0.44 -0.54 0.15 1.25 1.06 0.00 0.00 176.91 178.39 1ilo h LEU 17 N -0.99 0.21 -1.00 1.22 7.12 -1.64 -1.71 115.31 118.52 1ilo h LEU 17 Ca -0.09 -0.00 0.04 0.00 0.13 0.00 0.00 57.88 57.96 1ilo h LEU 17 Cb 0.65 -0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 40.67 1ilo h LEU 17 CO 0.14 0.15 0.66 -0.08 -0.13 0.00 0.00 178.44 179.18 1ilo h GLU 18 N 0.25 1.22 -0.05 1.25 4.22 0.21 0.36 114.58 122.04 1ilo h GLU 18 Ca 0.09 -0.07 -0.07 0.00 0.08 0.00 0.00 59.36 59.39 1ilo h GLU 18 Cb 0.06 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1ilo h GLU 18 CO -0.02 0.81 -0.23 -0.22 -2.18 0.00 0.00 179.01 177.16 1ilo h LYS 19 N 1.26 0.25 -0.18 1.92 3.64 -1.01 -2.90 116.57 119.55 1ilo h LYS 19 Ca 0.41 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1ilo h LYS 19 Cb 0.03 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1ilo h LYS 19 CO -0.13 0.85 -0.40 -2.95 -2.27 0.00 0.00 179.45 174.54 1ilo h ASN 20 N -0.29 0.44 -0.22 4.20 7.08 -1.28 -3.00 115.58 122.52 1ilo h ASN 20 Ca -0.01 -0.19 -0.01 0.00 -3.08 0.00 0.00 56.30 53.01 1ilo h ASN 20 Cb 0.89 -0.12 -0.01 0.00 -2.08 0.00 0.00 38.32 37.00 1ilo h ASN 20 CO 0.05 0.80 0.09 0.00 -2.08 0.00 0.00 177.43 176.29 1ilo h ALA 21 N 1.23 0.28 -0.34 4.14 0.00 -0.35 0.37 119.26 124.60 1ilo h ALA 21 Ca 0.03 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ilo h ALA 21 Cb 0.86 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1ilo h ALA 21 CO 0.07 -0.13 0.14 0.00 0.00 0.00 0.00 179.25 179.33 1ilo h ARG 22 N 0.20 0.29 0.02 0.00 2.47 -1.47 0.57 114.38 116.47 1ilo h ARG 22 Ca 0.07 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1ilo h ARG 22 Cb 0.17 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1ilo h ARG 22 CO -0.01 0.19 -0.01 1.49 0.56 0.00 0.00 179.97 182.20 1ilo h GLU 23 N 0.30 -0.02 -0.08 0.04 4.57 -1.45 -2.95 114.58 115.00 1ilo h GLU 23 Ca 0.15 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1ilo h GLU 23 Cb 0.09 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1ilo h GLU 23 CO -0.13 0.59 0.04 0.00 -1.18 0.00 0.00 179.01 178.33 1ilo h ALA 24 N 0.29 0.10 -0.01 2.92 0.00 -0.20 1.09 119.26 123.45 1ilo h ALA 24 Ca -0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ilo h ALA 24 Cb 0.63 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1ilo h ALA 24 CO 0.00 -0.34 -0.29 -0.24 0.00 0.00 0.00 179.25 178.39 1ilo h VAL 25 N -0.01 0.36 -0.31 0.00 3.04 0.04 0.73 116.25 120.10 1ilo h VAL 25 Ca 0.03 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.62 1ilo h VAL 25 Cb 0.13 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 29.76 1ilo h VAL 25 CO -0.00 0.00 -0.16 0.50 -1.01 0.00 0.00 177.57 176.89 1ilo h LYS 26 N -0.43 0.66 -0.67 4.17 3.64 -1.26 -3.00 116.57 119.67 1ilo h LYS 26 Ca 0.07 -0.29 0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1ilo h LYS 26 Cb 0.52 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 1ilo h LYS 26 CO -0.26 0.88 0.38 1.49 -2.27 0.00 0.00 179.45 179.68 1ilo h GLU 27 N 0.41 0.70 0.00 1.90 4.81 0.17 0.09 114.58 122.66 1ilo h GLU 27 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ilo h GLU 27 Cb 0.70 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1ilo h GLU 27 CO 0.05 0.46 0.35 1.25 -0.73 0.00 0.00 179.01 180.39 1ilo h LEU 28 N 0.72 0.00 0.00 1.64 7.12 0.50 -3.43 115.31 121.86 1ilo h LEU 28 Ca 0.29 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.30 1ilo h LEU 28 Cb 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.27 1ilo h LEU 28 CO -0.16 0.00 0.00 0.61 -0.13 0.00 0.00 178.44 178.76 1ilo n GLY 29 N -1.24 1.88 3.48 3.75 0.00 -0.02 -5.11 105.19 107.93 1ilo n GLY 29 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.98 1.03 -0.61 -0.00 -0.98 -5.04 121.20 112.62 1ilo s ILE 30 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 60.65 60.54 1ilo s ILE 30 Cb 0.00 -0.99 0.21 0.00 -0.00 0.00 0.00 42.46 41.68 1ilo s ILE 30 CO 0.00 0.00 1.08 -0.62 -0.00 0.00 0.00 174.94 175.41 1ilo s ASP 31 N 2.87 2.01 0.18 4.36 -1.08 -1.26 -2.26 116.67 121.49 1ilo s ASP 31 Ca 0.02 1.82 -0.10 0.00 -0.52 0.00 0.00 52.55 53.77 1ilo s ASP 31 Cb -0.13 -2.42 -0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1ilo s ASP 31 CO -0.19 -3.61 0.33 0.00 0.52 0.00 0.00 175.17 172.22 1ilo s ALA 32 N -2.58 -0.11 -0.24 3.66 0.00 -1.26 0.13 121.76 121.37 1ilo s ALA 32 Ca 0.67 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1ilo s ALA 32 Cb -0.23 0.89 0.06 0.00 0.00 0.00 0.00 23.12 23.84 1ilo s ALA 32 CO 0.61 -0.68 -0.06 -1.21 0.00 0.00 0.00 175.76 174.42 1ilo s GLU 33 N -3.97 1.68 -0.44 0.00 2.02 -0.66 -4.76 118.70 112.58 1ilo s GLU 33 Ca 0.17 -1.02 -0.17 0.00 0.02 0.00 0.00 54.97 53.97 1ilo s GLU 33 Cb 0.02 -2.62 0.03 0.00 0.10 0.00 0.00 34.13 31.67 1ilo s GLU 33 CO 0.01 -0.59 0.44 -0.06 0.02 0.00 0.00 175.26 175.08 1ilo s PHE 34 N 1.37 3.17 -0.26 1.61 0.40 -1.26 -1.95 117.98 121.06 1ilo s PHE 34 Ca -0.06 -0.47 -0.03 0.00 -0.60 0.00 0.00 56.93 55.76 1ilo s PHE 34 Cb -0.19 -2.97 0.02 0.00 0.51 0.00 0.00 43.02 40.38 1ilo s PHE 34 CO -0.06 -0.74 -0.02 -1.21 0.70 0.00 0.00 175.22 173.89 1ilo s GLU 35 N 2.10 2.96 0.09 0.44 2.02 -0.83 -5.00 118.70 120.48 1ilo s GLU 35 Ca 0.11 -0.91 -0.25 0.00 0.02 0.00 0.00 54.97 53.94 1ilo s GLU 35 Cb -0.18 -3.09 -0.06 0.00 0.10 0.00 0.00 34.13 30.89 1ilo s GLU 35 CO 0.12 -0.39 0.76 0.15 0.02 0.00 0.00 175.26 175.92 1ilo s LYS 36 N 1.39 4.51 0.49 1.61 3.01 -1.26 -2.84 119.74 126.65 1ilo s LYS 36 Ca 0.01 1.09 0.08 0.00 -1.01 0.00 0.00 55.97 56.14 1ilo s LYS 36 Cb -0.17 -3.32 0.08 0.00 -1.01 0.00 0.00 37.83 33.41 1ilo s LYS 36 CO -0.02 0.40 0.63 0.44 0.51 0.00 0.00 175.35 177.30 1ilo n ILE 37 N 2.35 0.00 -2.80 2.17 -0.00 -0.81 -4.95 119.36 115.32 1ilo n ILE 37 Ca -0.04 -1.68 -0.07 0.00 -0.00 0.00 0.00 62.75 60.96 1ilo n ILE 37 Cb 0.50 -0.51 0.02 0.00 -0.00 0.00 0.00 39.64 39.65 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 -2.00 0.63 0.00 6.28 2.85 -1.26 -4.47 118.16 120.19 1ilo n LYS 38 Ca 0.11 -1.99 0.00 0.00 -1.05 0.00 0.00 58.31 55.38 1ilo n LYS 38 Cb 0.51 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.43 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 2.33 0.00 0.11 -1.58 -0.58 -1.26 -4.98 120.64 114.68 1ilo n GLU 39 Ca 0.15 0.00 0.20 0.00 -0.42 0.00 0.00 57.16 57.09 1ilo n GLU 39 Cb 0.59 0.00 0.74 0.00 -0.57 0.00 0.00 31.44 32.20 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 -1.00 3.49 2.86 -1.99 0.24 114.93 118.53 1ilo h MET 40 Ca 0.00 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.83 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 0.61 0.22 1.06 0.00 0.00 176.91 178.80 1ilo h ASP 41 N 0.00 0.79 0.35 1.22 1.82 -1.99 0.88 116.42 119.49 1ilo h ASP 41 Ca 0.18 0.09 -0.32 0.00 -0.39 0.00 0.00 57.03 56.59 1ilo h ASP 41 Cb 1.08 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.03 1ilo h ASP 41 CO -0.00 0.29 -1.68 1.56 -1.61 0.00 0.00 179.24 177.79 1ilo h GLN 42 N 0.77 0.24 0.48 0.28 7.50 -0.94 -3.12 115.11 120.32 1ilo h GLN 42 Ca 0.57 -0.41 -0.02 0.00 0.50 0.00 0.00 58.65 59.29 1ilo h GLN 42 Cb 0.88 0.15 0.00 0.00 0.05 0.00 0.00 27.48 28.56 1ilo h GLN 42 CO -0.37 1.08 -0.25 0.82 -1.50 0.00 0.00 178.83 178.61 1ilo h ILE 43 N 0.06 0.50 -0.71 2.54 2.04 -0.23 -2.62 117.51 119.09 1ilo h ILE 43 Ca -0.30 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 1ilo h ILE 43 Cb 2.03 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 1ilo h ILE 43 CO 0.14 0.00 0.29 0.17 0.00 0.00 0.00 178.15 178.74 1ilo h LEU 44 N -0.67 0.96 -2.19 1.44 -0.00 0.51 -1.52 115.31 113.84 1ilo h LEU 44 Ca -0.06 -0.14 0.06 0.00 -0.00 0.00 0.00 57.88 57.74 1ilo h LEU 44 Cb 0.52 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 1ilo h LEU 44 CO 0.10 0.85 0.26 -0.08 -0.00 0.00 0.00 178.44 179.57 1ilo h GLU 45 N 1.03 0.00 -0.11 0.17 4.57 -1.44 0.40 114.58 119.19 1ilo h GLU 45 Ca 0.24 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.25 1ilo h GLU 45 Cb 0.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1ilo h GLU 45 CO -0.02 0.00 -0.66 0.00 -1.18 0.00 0.00 179.01 177.14 1ilo h ALA 46 N 1.66 0.64 0.00 2.92 0.00 -0.90 -3.48 119.26 120.11 1ilo h ALA 46 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ilo h ALA 46 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ilo h ALA 46 CO -0.00 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1ilo n GLY 47 N 0.44 1.27 3.88 0.00 0.00 0.14 -4.54 105.19 106.38 1ilo n GLY 47 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 3.19 -0.03 0.99 -0.00 -1.26 -5.01 118.68 116.56 1ilo s LEU 48 Ca 0.00 1.21 0.06 0.00 -0.00 0.00 0.00 54.13 55.40 1ilo s LEU 48 Cb 0.00 -4.16 -0.08 0.00 -0.00 0.00 0.00 46.19 41.95 1ilo s LEU 48 CO 0.00 -0.98 0.07 0.35 -0.00 0.00 0.00 176.35 175.79 1ilo n THR 49 N -2.75 0.22 -1.75 5.48 -2.24 -1.26 -4.51 114.28 107.47 1ilo n THR 49 Ca 0.05 -0.20 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 1ilo n THR 49 Cb 0.55 -0.30 0.13 0.00 -2.10 0.00 0.00 70.33 68.61 1ilo n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ilo s ALA 50 N -2.27 2.19 -0.05 6.98 0.00 -1.26 -5.02 121.76 122.32 1ilo s ALA 50 Ca -0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 1ilo s ALA 50 Cb 0.03 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 1ilo s ALA 50 CO 0.25 -2.11 0.13 -0.07 0.00 0.00 0.00 175.76 173.96 1ilo h LEU 51 N -1.39 -0.07 -5.42 0.00 4.07 -1.91 -3.37 115.31 107.23 1ilo h LEU 51 Ca -0.47 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.26 1ilo h LEU 51 Cb 1.31 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.07 1ilo h LEU 51 CO 0.58 0.22 1.76 -2.65 -1.08 0.00 0.00 178.44 177.27 1ilo n PRO 52 N -3.69 1.34 -2.98 1.13 -0.02 -1.25 -4.31 135.00 125.23 1ilo n PRO 52 Ca -0.01 -1.03 -0.40 0.00 -2.02 0.00 0.00 63.50 60.05 1ilo n PRO 52 Cb 0.03 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.26 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 3.64 2.87 -0.28 -1.23 0.00 -1.14 -3.73 107.32 107.45 1ilo s GLY 53 Ca 0.27 0.33 -0.00 0.00 0.00 0.00 0.00 44.72 45.33 1ilo s GLY 53 CO -0.02 0.97 0.05 1.08 0.00 0.00 0.00 173.10 175.18 1ilo s LEU 54 N -0.68 2.54 -0.26 0.66 2.01 0.20 -0.51 118.68 122.64 1ilo s LEU 54 Ca 0.37 -1.49 -0.13 0.00 0.01 0.00 0.00 54.13 52.89 1ilo s LEU 54 Cb -0.22 -1.01 -0.04 0.00 0.01 0.00 0.00 46.19 44.92 1ilo s LEU 54 CO 0.25 -0.35 0.27 0.00 1.01 0.00 0.00 176.35 177.53 1ilo s ALA 55 N 1.49 3.56 -0.06 4.21 0.00 -0.90 -2.09 121.76 127.97 1ilo s ALA 55 Ca 0.05 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1ilo s ALA 55 Cb -0.18 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 1ilo s ALA 55 CO -0.16 -0.48 -0.12 0.14 0.00 0.00 0.00 175.76 175.14 1ilo s VAL 56 N 1.66 3.27 -0.78 0.00 -7.23 -1.10 0.27 120.40 116.49 1ilo s VAL 56 Ca 0.11 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1ilo s VAL 56 Cb -0.15 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.48 1ilo s VAL 56 CO 0.09 0.59 0.00 -0.67 -0.31 0.00 0.00 175.10 174.80 1ilo n ASP 57 N 2.38 -2.70 -0.66 4.85 -0.08 0.66 0.96 116.55 121.96 1ilo n ASP 57 Ca -0.17 0.26 -0.04 0.00 -1.51 0.00 0.00 54.79 53.33 1ilo n ASP 57 Cb 0.52 -2.46 0.00 0.00 2.34 0.00 0.00 41.12 41.53 1ilo n ASP 57 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ilo n GLY 58 N -0.51 0.35 2.71 0.27 0.00 -1.26 -5.02 105.19 101.73 1ilo n GLY 58 Ca -0.09 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 -4.54 0.26 -0.03 1.61 0.41 0.27 -5.09 118.70 111.60 1ilo s GLU 59 Ca 0.04 -0.15 -0.38 0.00 -0.41 0.00 0.00 54.97 54.07 1ilo s GLU 59 Cb -0.02 -0.90 -0.16 0.00 -1.78 0.00 0.00 34.13 31.28 1ilo s GLU 59 CO 0.04 -0.94 1.50 1.28 -0.49 0.00 0.00 175.26 176.65 1ilo n LEU 60 N 5.30 2.02 -0.01 1.80 7.99 -1.26 -2.72 117.00 130.13 1ilo n LEU 60 Ca -0.04 1.10 0.02 0.00 -0.01 0.00 0.00 56.01 57.08 1ilo n LEU 60 Cb 0.46 -1.19 -0.04 0.00 -0.11 0.00 0.00 43.42 42.54 1ilo n LEU 60 CO 0.03 -0.78 -0.57 0.29 -1.51 0.00 0.00 177.39 174.85 1ilo n LYS 61 N 3.61 0.74 -3.68 3.23 4.76 -0.89 -4.93 118.16 121.01 1ilo n LYS 61 Ca 0.21 -0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.51 1ilo n LYS 61 Cb 0.18 -1.11 -0.09 0.00 -1.84 0.00 0.00 35.03 32.17 1ilo n LYS 61 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1ilo s ILE 62 N -2.29 -0.01 -0.08 -0.18 -4.36 -1.24 -5.02 121.20 108.02 1ilo s ILE 62 Ca -0.02 0.04 -0.07 0.00 -0.26 0.00 0.00 60.65 60.34 1ilo s ILE 62 Cb 0.03 -0.76 0.03 0.00 1.25 0.00 0.00 42.46 43.00 1ilo s ILE 62 CO 0.20 0.01 0.21 -0.04 0.24 0.00 0.00 174.94 175.57 1ilo s MET 63 N 1.06 0.23 0.00 0.37 1.00 -1.25 -0.63 119.30 120.07 1ilo s MET 63 Ca -0.06 0.33 0.00 0.00 0.00 0.00 0.00 55.69 55.96 1ilo s MET 63 Cb -0.06 0.07 0.00 0.00 0.00 0.00 0.00 34.83 34.84 1ilo s MET 63 CO -0.10 -0.06 0.00 0.41 0.00 0.00 0.00 175.02 175.28 1ilo n GLY 64 N 3.22 1.60 0.00 -0.03 0.00 -1.24 -4.83 105.19 103.90 1ilo n GLY 64 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ilo n GLY 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ilo n ARG 65 N -2.00 0.00 -2.04 1.61 0.63 -1.26 -4.87 116.66 108.72 1ilo n ARG 65 Ca 0.00 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 1ilo n ARG 65 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 1ilo n ARG 65 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ilo s VAL 66 N 0.00 2.58 0.44 5.15 0.11 -1.26 -4.93 120.40 122.49 1ilo s VAL 66 Ca 0.00 0.55 -0.07 0.00 -2.93 0.00 0.00 61.98 59.53 1ilo s VAL 66 Cb 0.00 -3.34 0.11 0.00 -1.53 0.00 0.00 36.38 31.62 1ilo s VAL 66 CO 0.00 0.11 0.31 0.00 -3.33 0.00 0.00 175.10 172.18 1ilo n ALA 67 N 0.42 -1.45 -2.79 1.54 0.00 -1.26 -4.88 120.51 112.09 1ilo n ALA 67 Ca 0.02 -0.50 -0.34 0.00 0.00 0.00 0.00 53.44 52.62 1ilo n ALA 67 Cb 0.42 -0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 1ilo n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ilo s SER 68 N -2.39 4.18 0.16 0.00 0.15 -1.26 -4.12 113.70 110.42 1ilo s SER 68 Ca 0.22 -1.71 -0.15 0.00 0.70 0.00 0.00 55.95 55.01 1ilo s SER 68 Cb -0.03 0.70 0.06 0.00 -1.71 0.00 0.00 66.02 65.03 1ilo s SER 68 CO 0.18 -0.93 1.80 0.07 1.20 0.00 0.00 173.24 175.56 1ilo h LYS 69 N 1.27 0.47 -0.80 5.44 2.10 -1.97 -2.46 116.57 120.62 1ilo h LYS 69 Ca -0.44 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1ilo h LYS 69 Cb 1.33 -0.11 -0.04 0.00 -0.90 0.00 0.00 32.23 32.51 1ilo h LYS 69 CO 0.73 0.31 0.50 1.49 -2.00 0.00 0.00 179.45 180.48 1ilo h GLU 70 N 0.49 1.08 -0.66 0.07 4.22 -1.99 -1.92 114.58 115.87 1ilo h GLU 70 Ca 0.17 -0.09 0.06 0.00 0.08 0.00 0.00 59.36 59.58 1ilo h GLU 70 Cb 0.03 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 28.99 1ilo h GLU 70 CO -0.09 0.74 0.37 0.93 -2.18 0.00 0.00 179.01 178.79 1ilo h GLU 71 N 1.09 0.67 0.39 1.92 4.39 -1.85 0.31 114.58 121.50 1ilo h GLU 71 Ca 0.29 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 1ilo h GLU 71 Cb -0.07 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 1ilo h GLU 71 CO -0.06 0.44 -0.19 0.82 -1.16 0.00 0.00 179.01 178.86 1ilo h ILE 72 N 0.69 0.59 -0.68 3.13 1.08 -1.06 0.17 117.51 121.43 1ilo h ILE 72 Ca 0.30 -0.40 0.04 0.00 -0.39 0.00 0.00 64.86 64.40 1ilo h ILE 72 Cb 0.18 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 1ilo h ILE 72 CO -0.18 0.07 0.45 0.50 -0.69 0.00 0.00 178.15 178.30 1ilo h LYS 73 N -0.77 0.77 -0.02 2.37 3.11 -1.18 0.18 116.57 121.03 1ilo h LYS 73 Ca -0.05 -0.05 -0.17 0.00 -2.81 0.00 0.00 60.65 57.57 1ilo h LYS 73 Cb 0.52 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.57 1ilo h LYS 73 CO 0.09 0.51 -0.75 -0.22 -2.81 0.00 0.00 179.45 176.27 1ilo h LYS 74 N 0.79 0.14 -0.02 1.90 3.11 -0.29 0.83 116.57 123.03 1ilo h LYS 74 Ca 0.28 -0.12 -0.24 0.00 -2.81 0.00 0.00 60.65 57.76 1ilo h LYS 74 Cb 0.11 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1ilo h LYS 74 CO -0.08 0.82 -0.95 0.82 -2.81 0.00 0.00 179.45 177.25 1ilo h ILE 75 N 0.09 1.35 0.00 2.00 2.04 0.44 -3.28 117.51 120.14 1ilo h ILE 75 Ca -0.02 -2.31 -0.25 0.00 1.00 0.00 0.00 64.86 63.27 1ilo h ILE 75 Cb 1.32 2.34 -0.04 0.00 -0.74 0.00 0.00 36.82 39.70 1ilo h ILE 75 CO 0.11 0.70 -1.46 -0.07 0.00 0.00 0.00 178.15 177.43 1ilo h LEU 76 N 0.32 0.00 0.00 1.44 3.38 -0.68 -3.51 115.31 116.26 1ilo h LEU 76 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ilo h LEU 76 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1ilo h LEU 76 CO 0.18 0.93 0.00 -1.20 0.09 0.00 0.00 178.44 178.44