#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxf s ASP 2 N 0.00 6.83 -0.16 7.83 -4.77 -1.26 -4.71 116.67 120.44 1lxf s ASP 2 Ca 0.00 -2.40 -0.20 0.00 -3.30 0.00 0.00 52.55 46.65 1lxf s ASP 2 Cb 0.00 -2.51 -0.23 0.00 -1.09 0.00 0.00 42.92 39.09 1lxf s ASP 2 CO 0.00 -1.10 0.42 -2.24 0.70 0.00 0.00 175.17 172.95 1lxf h ASP 3 N 7.94 0.15 -1.32 2.11 2.03 -2.06 -3.19 116.42 122.08 1lxf h ASP 3 Ca 0.34 -0.73 0.38 0.00 -0.73 0.00 0.00 57.03 56.30 1lxf h ASP 3 Cb 0.91 -0.05 -0.05 0.00 -0.83 0.00 0.00 39.33 39.31 1lxf h ASP 3 CO 1.36 1.49 1.10 0.16 -1.03 0.00 0.00 179.24 182.32 1lxf h ILE 4 N -0.70 0.16 0.05 4.15 -2.65 -2.02 0.65 117.51 117.15 1lxf h ILE 4 Ca -0.29 0.00 -0.13 0.00 1.03 0.00 0.00 64.86 65.47 1lxf h ILE 4 Cb 1.46 0.19 -0.00 0.00 -2.05 0.00 0.00 36.82 36.42 1lxf h ILE 4 CO -0.07 0.00 -0.68 1.88 0.03 0.00 0.00 178.15 179.31 1lxf h TYR 5 N 0.00 0.19 -0.76 0.16 -1.99 -1.96 -3.32 116.97 109.29 1lxf h TYR 5 Ca 0.63 -0.14 0.07 0.00 2.00 0.00 0.00 58.73 61.29 1lxf h TYR 5 Cb 2.82 -0.01 -0.10 0.00 2.00 0.00 0.00 36.73 41.44 1lxf h TYR 5 CO 0.00 1.26 -0.53 0.87 -0.00 0.00 0.00 178.16 179.76 1lxf h LYS 6 N -0.75 -0.10 -0.38 4.88 1.79 0.32 0.48 116.57 122.82 1lxf h LYS 6 Ca -0.16 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.36 1lxf h LYS 6 Cb 1.33 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.94 1lxf h LYS 6 CO -0.00 -0.07 -0.34 0.00 -1.08 0.00 0.00 179.45 177.96 1lxf h ALA 7 N 0.22 -0.49 -0.67 3.86 0.00 -1.61 1.88 119.26 122.45 1lxf h ALA 7 Ca 0.12 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.20 1lxf h ALA 7 Cb 0.42 1.06 -0.10 0.00 0.00 0.00 0.00 17.79 19.17 1lxf h ALA 7 CO -0.77 -0.69 0.10 0.00 0.00 0.00 0.00 179.25 177.90 1lxf h ALA 8 N -0.38 0.79 0.00 0.00 0.00 -1.34 0.88 119.26 119.20 1lxf h ALA 8 Ca 0.06 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1lxf h ALA 8 Cb 0.31 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1lxf h ALA 8 CO -0.43 -0.35 -0.14 0.28 0.00 0.00 0.00 179.25 178.60 1lxf h VAL 9 N 0.21 0.51 0.10 0.00 2.07 0.24 -2.75 116.25 116.63 1lxf h VAL 9 Ca 0.37 -0.68 -0.19 0.00 0.82 0.00 0.00 66.70 67.01 1lxf h VAL 9 Cb 0.60 1.46 0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1lxf h VAL 9 CO -0.50 0.14 -0.82 -0.33 0.02 0.00 0.00 177.57 176.08 1lxf h GLU 10 N 0.00 0.38 -0.85 1.57 4.39 0.95 -3.26 114.58 117.76 1lxf h GLU 10 Ca -0.00 -0.54 0.20 0.00 0.34 0.00 0.00 59.36 59.36 1lxf h GLU 10 Cb 0.45 0.19 -0.12 0.00 -0.10 0.00 0.00 28.75 29.17 1lxf h GLU 10 CO 0.02 1.22 0.32 1.96 -1.16 0.00 0.00 179.01 181.37 1lxf h GLN 11 N -0.20 0.35 -6.51 2.33 1.08 0.12 -3.41 115.11 108.89 1lxf h GLN 11 Ca -0.13 -0.02 -0.60 0.00 -1.45 0.00 0.00 58.65 56.45 1lxf h GLN 11 Cb 1.59 -0.08 0.08 0.00 -0.05 0.00 0.00 27.48 29.02 1lxf h GLN 11 CO 0.16 0.23 0.54 1.28 -0.95 0.00 0.00 178.83 180.09 1lxf n LEU 12 N -5.08 2.67 -4.81 1.46 4.77 -1.15 -4.94 117.00 109.92 1lxf n LEU 12 Ca 0.19 1.14 -0.35 0.00 -0.03 0.00 0.00 56.01 56.96 1lxf n LEU 12 Cb 0.58 -1.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.24 1lxf n LEU 12 CO 0.13 -0.68 0.55 0.42 -1.33 0.00 0.00 177.39 176.48 1lxf s THR 13 N 0.03 4.42 0.54 -5.08 -4.23 -1.26 -4.89 115.64 105.17 1lxf s THR 13 Ca 0.71 1.46 0.49 0.00 -1.18 0.00 0.00 61.69 63.17 1lxf s THR 13 Cb -0.71 -3.81 0.72 0.00 1.34 0.00 0.00 72.50 70.04 1lxf s THR 13 CO 0.49 -0.00 1.54 1.21 -0.54 0.00 0.00 174.62 177.31 1lxf n GLU 14 N 0.17 -0.00 0.00 3.99 4.07 -1.26 -0.93 120.64 126.68 1lxf n GLU 14 Ca 0.02 1.08 0.00 0.00 -0.06 0.00 0.00 57.16 58.20 1lxf n GLU 14 Cb 0.52 -2.46 0.00 0.00 -0.06 0.00 0.00 31.44 29.43 1lxf n GLU 14 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1lxf n GLU 15 N -3.94 0.00 -0.41 5.31 1.02 -1.26 0.20 120.64 121.56 1lxf n GLU 15 Ca 0.44 0.39 0.33 0.00 -0.02 0.00 0.00 57.16 58.30 1lxf n GLU 15 Cb 1.97 -1.37 0.61 0.00 -0.02 0.00 0.00 31.44 32.62 1lxf n GLU 15 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1lxf h GLN 16 N 0.00 0.16 0.24 3.49 -0.00 -1.41 0.39 115.11 117.98 1lxf h GLN 16 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1lxf h GLN 16 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.45 1lxf h GLN 16 CO 0.00 0.10 -0.12 0.87 -0.00 0.00 0.00 178.83 179.69 1lxf h LYS 17 N 0.16 -0.31 -0.10 0.06 1.79 -1.04 -2.68 116.57 114.44 1lxf h LYS 17 Ca 0.77 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 59.27 1lxf h LYS 17 Cb 2.29 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 32.98 1lxf h LYS 17 CO -0.41 0.05 -0.22 -0.91 -1.08 0.00 0.00 179.45 176.88 1lxf h ASN 18 N -0.77 -0.71 -1.35 0.86 2.35 0.65 0.66 115.58 117.26 1lxf h ASN 18 Ca -0.03 0.09 0.42 0.00 -0.55 0.00 0.00 56.30 56.22 1lxf h ASN 18 Cb 0.50 0.28 -0.11 0.00 0.05 0.00 0.00 38.32 39.05 1lxf h ASN 18 CO 0.05 -0.18 0.90 1.05 -1.65 0.00 0.00 177.43 177.61 1lxf h GLU 19 N -0.20 0.11 0.29 0.81 4.11 -1.34 0.52 114.58 118.87 1lxf h GLU 19 Ca 0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 1lxf h GLU 19 Cb 0.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1lxf h GLU 19 CO -0.20 0.07 -0.14 0.74 0.07 0.00 0.00 179.01 179.55 1lxf h PHE 20 N 0.11 -0.36 -1.00 2.06 0.04 0.04 -2.96 116.94 114.87 1lxf h PHE 20 Ca 0.78 -0.01 0.39 0.00 2.80 0.00 0.00 57.97 61.93 1lxf h PHE 20 Cb 2.55 0.12 -0.17 0.00 2.20 0.00 0.00 35.95 40.64 1lxf h PHE 20 CO -0.00 -0.22 0.49 0.87 -0.60 0.00 0.00 178.31 178.85 1lxf h LYS 21 N -0.70 0.05 0.32 1.51 1.57 0.21 0.41 116.57 119.94 1lxf h LYS 21 Ca -0.04 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1lxf h LYS 21 Cb 0.29 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1lxf h LYS 21 CO 0.06 0.04 -0.31 0.00 -0.57 0.00 0.00 179.45 178.67 1lxf h ALA 22 N 1.97 -1.01 0.00 3.86 0.00 -1.00 0.19 119.26 123.27 1lxf h ALA 22 Ca 0.80 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1lxf h ALA 22 Cb 2.04 0.54 0.00 0.00 0.00 0.00 0.00 17.79 20.37 1lxf h ALA 22 CO -0.76 -1.02 0.00 0.00 0.00 0.00 0.00 179.25 177.47 1lxf h ALA 23 N -1.25 1.00 0.00 0.00 0.00 -0.51 0.17 119.26 118.66 1lxf h ALA 23 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1lxf h ALA 23 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1lxf h ALA 23 CO -0.03 0.00 -0.52 0.74 0.00 0.00 0.00 179.25 179.44 1lxf h PHE 24 N 0.00 0.00 -0.21 0.00 -1.00 0.15 -2.94 116.94 112.94 1lxf h PHE 24 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1lxf h PHE 24 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1lxf h PHE 24 CO 0.00 0.52 0.00 -0.25 -1.61 0.00 0.00 178.31 176.97 1lxf n ASP 25 N -3.37 1.61 -0.04 2.17 8.00 0.58 -3.83 116.55 121.67 1lxf n ASP 25 Ca 0.01 -2.09 -0.09 0.00 0.71 0.00 0.00 54.79 53.32 1lxf n ASP 25 Cb 0.67 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1lxf n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1lxf n ILE 26 N 0.17 0.53 0.29 0.53 2.08 -1.11 -3.70 119.36 118.15 1lxf n ILE 26 Ca 0.08 -0.11 0.18 0.00 0.56 0.00 0.00 62.75 63.47 1lxf n ILE 26 Cb 0.30 -1.63 0.97 0.00 -0.75 0.00 0.00 39.64 38.53 1lxf n ILE 26 CO 0.00 0.00 0.00 2.19 0.56 0.00 0.00 176.55 179.30 1lxf h PHE 27 N -0.32 0.00 -0.14 1.39 -5.15 -1.67 -1.05 116.94 110.00 1lxf h PHE 27 Ca -0.22 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.37 1lxf h PHE 27 Cb 1.16 0.00 -0.30 0.00 0.22 0.00 0.00 35.95 37.03 1lxf h PHE 27 CO -0.03 0.00 -0.91 1.33 -2.00 0.00 0.00 178.31 176.70 1lxf n VAL 28 N -2.80 0.95 0.92 0.88 0.24 -1.25 -4.66 118.33 112.61 1lxf n VAL 28 Ca -0.02 -2.13 0.09 0.00 -2.04 0.00 0.00 64.34 60.23 1lxf n VAL 28 Cb 0.12 0.59 0.47 0.00 -1.47 0.00 0.00 33.84 33.54 1lxf n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lxf n LEU 29 N -0.17 0.00 -1.97 1.34 -0.00 -0.40 -3.34 117.00 112.46 1lxf n LEU 29 Ca 0.12 0.19 -0.04 0.00 -0.00 0.00 0.00 56.01 56.28 1lxf n LEU 29 Cb 0.97 -0.19 0.04 0.00 -0.00 0.00 0.00 43.42 44.24 1lxf n LEU 29 CO 0.02 -0.08 0.50 0.61 -0.00 0.00 0.00 177.39 178.44 1lxf n GLY 30 N 0.16 1.40 3.99 1.47 0.00 -1.26 -5.04 105.19 105.90 1lxf n GLY 30 Ca 0.10 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1lxf n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lxf s ALA 31 N 0.02 3.62 -0.11 4.61 0.00 -1.21 -5.02 121.76 123.67 1lxf s ALA 31 Ca 0.06 -1.68 0.16 0.00 0.00 0.00 0.00 51.96 50.50 1lxf s ALA 31 Cb 0.26 -2.06 -0.11 0.00 0.00 0.00 0.00 23.12 21.21 1lxf s ALA 31 CO -0.08 -1.49 0.93 1.49 0.00 0.00 0.00 175.76 176.61 1lxf h GLU 32 N -0.57 0.00 0.00 0.00 4.22 -1.92 -3.47 114.58 112.84 1lxf h GLU 32 Ca -0.37 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.07 1lxf h GLU 32 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1lxf h GLU 32 CO 0.41 0.36 0.00 -0.40 -2.18 0.00 0.00 179.01 177.20 1lxf n ASP 33 N -2.97 0.00 -1.93 1.04 5.68 -1.26 -5.07 116.55 112.03 1lxf n ASP 33 Ca -0.08 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.20 1lxf n ASP 33 Cb 0.84 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.88 1lxf n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lxf n GLY 34 N 1.12 0.49 3.56 6.12 0.00 -1.26 -5.09 105.19 110.14 1lxf n GLY 34 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1lxf n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lxf s ILE 36 N -2.46 4.18 0.13 0.00 1.01 -0.60 -4.74 121.20 118.71 1lxf s ILE 36 Ca 0.31 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.51 1lxf s ILE 36 Cb -0.04 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1lxf s ILE 36 CO 0.17 0.43 -0.17 -0.44 0.00 0.00 0.00 174.94 174.94 1lxf s SER 37 N -1.40 2.30 0.46 3.58 0.01 -1.26 -1.77 113.70 115.63 1lxf s SER 37 Ca 0.18 -0.79 0.36 0.00 1.31 0.00 0.00 55.95 57.01 1lxf s SER 37 Cb -0.11 -0.11 1.54 0.00 0.21 0.00 0.00 66.02 67.54 1lxf s SER 37 CO 0.08 -0.06 1.56 0.35 0.41 0.00 0.00 173.24 175.58 1lxf n THR 38 N 0.61 -0.21 0.00 1.44 -2.24 -1.26 0.73 114.28 113.35 1lxf n THR 38 Ca -0.16 1.75 0.00 0.00 -2.27 0.00 0.00 64.05 63.37 1lxf n THR 38 Cb 0.56 -2.88 0.00 0.00 -2.10 0.00 0.00 70.33 65.91 1lxf n THR 38 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1lxf n LYS 39 N -4.58 0.00 -0.44 -0.78 4.81 -1.26 -2.99 118.16 112.92 1lxf n LYS 39 Ca 0.41 0.39 0.41 0.00 -0.87 0.00 0.00 58.31 58.65 1lxf n LYS 39 Cb 1.65 -0.90 0.72 0.00 0.02 0.00 0.00 35.03 36.52 1lxf n LYS 39 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1lxf h GLU 40 N 0.00 0.00 0.24 1.64 4.39 -1.69 -0.85 114.58 118.31 1lxf h GLU 40 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1lxf h GLU 40 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1lxf h GLU 40 CO 0.00 0.00 -0.12 1.25 -1.16 0.00 0.00 179.01 178.98 1lxf h LEU 41 N 0.00 -0.27 -1.62 1.33 5.85 0.19 -3.13 115.31 117.66 1lxf h LEU 41 Ca 0.69 0.01 0.47 0.00 0.84 0.00 0.00 57.88 59.89 1lxf h LEU 41 Cb 2.99 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 44.03 1lxf h LEU 41 CO -0.01 -0.11 1.30 0.61 -0.34 0.00 0.00 178.44 179.89 1lxf n GLY 42 N 0.03 -0.88 0.26 3.75 0.00 -0.34 0.22 105.19 108.24 1lxf n GLY 42 Ca -0.04 0.57 0.05 0.00 0.00 0.00 0.00 46.02 46.60 1lxf n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lxf h LYS 43 N 0.00 0.19 0.00 1.61 1.79 -1.46 -2.53 116.57 116.17 1lxf h LYS 43 Ca 0.77 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 59.21 1lxf h LYS 43 Cb 3.37 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 33.98 1lxf h LYS 43 CO -0.01 0.23 -0.36 0.28 -1.08 0.00 0.00 179.45 178.51 1lxf h VAL 44 N 0.19 0.05 -0.96 0.50 2.07 0.26 -3.37 116.25 114.99 1lxf h VAL 44 Ca 0.05 -1.05 0.30 0.00 0.82 0.00 0.00 66.70 66.81 1lxf h VAL 44 Cb 0.16 0.11 -0.17 0.00 -1.52 0.00 0.00 31.29 29.87 1lxf h VAL 44 CO 0.00 0.02 0.20 0.24 0.02 0.00 0.00 177.57 178.06 1lxf h MET 45 N -1.00 0.06 -0.86 1.57 2.86 -1.58 0.57 114.93 116.55 1lxf h MET 45 Ca -0.01 -0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.77 1lxf h MET 45 Cb 0.37 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.93 1lxf h MET 45 CO -0.01 0.04 0.46 0.07 1.06 0.00 0.00 176.91 178.53 1lxf h ARG 46 N 0.06 0.63 0.00 1.72 0.11 0.28 0.59 114.38 117.77 1lxf h ARG 46 Ca 0.64 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.69 1lxf h ARG 46 Cb 1.43 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1lxf h ARG 46 CO -0.81 0.42 0.00 -1.33 0.10 0.00 0.00 179.97 178.34 1lxf n MET 47 N -4.85 0.62 -0.49 0.08 2.81 0.20 -2.39 117.12 113.10 1lxf n MET 47 Ca 0.17 0.02 0.08 0.00 -1.81 0.00 0.00 57.70 56.16 1lxf n MET 47 Cb 0.44 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.73 1lxf n MET 47 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1lxf n LEU 48 N -1.07 4.14 -0.02 4.03 4.77 0.20 -4.90 117.00 124.15 1lxf n LEU 48 Ca 0.16 -2.65 -0.00 0.00 -0.03 0.00 0.00 56.01 53.48 1lxf n LEU 48 Cb 0.10 -0.50 -0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1lxf n LEU 48 CO 0.14 0.71 -0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1lxf n GLY 49 N 0.25 0.45 2.78 -0.72 0.00 -1.01 -5.02 105.19 101.93 1lxf n GLY 49 Ca 0.21 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 1lxf n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lxf s GLN 50 N -1.15 0.72 -0.57 1.61 -0.21 -0.82 -5.02 119.66 114.21 1lxf s GLN 50 Ca 0.00 -0.02 0.01 0.00 0.02 0.00 0.00 55.36 55.37 1lxf s GLN 50 Cb 0.00 -1.23 0.15 0.00 1.00 0.00 0.00 33.01 32.92 1lxf s GLN 50 CO 0.00 -0.36 0.35 1.21 -2.12 0.00 0.00 175.29 174.37 1lxf s ASN 51 N 1.93 4.71 0.58 5.90 2.47 -1.26 0.27 114.94 129.53 1lxf s ASN 51 Ca 0.04 -2.99 0.00 0.00 0.42 0.00 0.00 52.86 50.33 1lxf s ASN 51 Cb -0.13 -1.73 0.00 0.00 -1.45 0.00 0.00 41.25 37.94 1lxf s ASN 51 CO -0.06 -0.28 0.00 -0.81 -3.72 0.00 0.00 177.10 172.23 1lxf n PRO 52 N 3.20 0.52 -4.68 0.43 -0.04 -1.26 -5.03 135.00 128.15 1lxf n PRO 52 Ca 0.07 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.23 1lxf n PRO 52 Cb 0.34 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.72 1lxf n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1lxf s THR 53 N -0.38 1.34 -0.54 0.52 -4.23 -1.26 -5.00 115.64 106.08 1lxf s THR 53 Ca 0.00 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.76 1lxf s THR 53 Cb 0.00 -2.45 0.32 0.00 1.34 0.00 0.00 72.50 71.71 1lxf s THR 53 CO 0.00 0.00 1.69 1.55 -0.54 0.00 0.00 174.62 177.32 1lxf h PRO 54 N 1.56 0.00 0.18 3.99 0.13 -1.99 -2.15 132.00 133.73 1lxf h PRO 54 Ca -0.43 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.37 1lxf h PRO 54 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1lxf h PRO 54 CO 0.74 0.00 -1.65 0.93 -0.23 0.00 0.00 178.00 177.79 1lxf h GLU 55 N 0.00 0.39 -0.05 0.86 5.08 -1.96 -2.95 114.58 115.95 1lxf h GLU 55 Ca 0.00 -0.67 -0.20 0.00 -1.00 0.00 0.00 59.36 57.49 1lxf h GLU 55 Cb 0.86 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1lxf h GLU 55 CO 0.00 1.32 -0.82 0.93 -1.00 0.00 0.00 179.01 179.44 1lxf h GLU 56 N 0.04 0.40 -0.07 2.33 4.39 -1.98 -3.09 114.58 116.60 1lxf h GLU 56 Ca -0.32 -0.37 -0.09 0.00 0.34 0.00 0.00 59.36 58.92 1lxf h GLU 56 Cb 2.05 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.77 1lxf h GLU 56 CO 0.17 1.03 -0.35 -0.07 -1.16 0.00 0.00 179.01 178.63 1lxf h LEU 57 N 0.25 0.15 -1.12 1.33 3.38 -1.52 -2.74 115.31 115.05 1lxf h LEU 57 Ca -0.05 -0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.05 1lxf h LEU 57 Cb 1.42 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 42.04 1lxf h LEU 57 CO 0.14 0.49 0.61 -0.61 0.09 0.00 0.00 178.44 179.17 1lxf h GLN 58 N 0.13 0.71 0.00 1.13 5.75 -1.42 0.84 115.11 122.24 1lxf h GLN 58 Ca 0.01 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1lxf h GLN 58 Cb 0.69 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 1lxf h GLN 58 CO 0.05 0.47 -0.06 0.93 -2.65 0.00 0.00 178.83 177.57 1lxf h GLU 59 N 0.73 0.00 0.09 1.69 5.08 -1.59 -0.94 114.58 119.64 1lxf h GLU 59 Ca 0.54 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1lxf h GLU 59 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1lxf h GLU 59 CO -0.31 0.06 -0.04 0.52 -1.00 0.00 0.00 179.01 178.23 1lxf h MET 60 N 0.00 -0.12 -0.30 2.33 2.86 0.60 -3.20 114.93 117.11 1lxf h MET 60 Ca -0.00 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1lxf h MET 60 Cb 0.22 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1lxf h MET 60 CO 0.01 0.37 0.10 0.82 1.06 0.00 0.00 176.91 179.27 1lxf h ILE 61 N -0.70 1.19 -0.97 -1.22 5.03 -1.21 -2.81 117.51 116.83 1lxf h ILE 61 Ca -0.01 -0.61 0.32 0.00 -0.12 0.00 0.00 64.86 64.43 1lxf h ILE 61 Cb 0.55 1.04 -0.16 0.00 -3.03 0.00 0.00 36.82 35.22 1lxf h ILE 61 CO 0.02 0.21 0.39 -0.78 -0.68 0.00 0.00 178.15 177.31 1lxf h ASP 62 N 0.32 0.18 0.52 1.72 3.58 -1.26 2.23 116.42 123.70 1lxf h ASP 62 Ca 0.10 0.23 -0.03 0.00 0.42 0.00 0.00 57.03 57.75 1lxf h ASP 62 Cb 0.22 0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.54 1lxf h ASP 62 CO -0.00 -0.26 -0.25 -0.33 -2.88 0.00 0.00 179.24 175.52 1lxf h GLU 63 N 0.16 -0.67 0.00 0.28 5.08 -1.49 -2.79 114.58 115.16 1lxf h GLU 63 Ca 0.70 0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 59.05 1lxf h GLU 63 Cb 1.62 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.02 1lxf h GLU 63 CO -0.71 -0.41 -0.27 -0.39 -1.00 0.00 0.00 179.01 176.22 1lxf h VAL 64 N -0.77 0.80 0.00 3.13 -1.51 -0.60 -3.28 116.25 114.02 1lxf h VAL 64 Ca -0.07 -1.12 -0.49 0.00 -1.23 0.00 0.00 66.70 63.79 1lxf h VAL 64 Cb 0.57 1.69 -0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1lxf h VAL 64 CO 0.12 0.27 2.34 0.47 -1.23 0.00 0.00 177.57 179.54 1lxf n ASP 65 N -3.64 7.32 -0.03 4.19 9.92 0.72 -4.40 116.55 130.64 1lxf n ASP 65 Ca -0.01 -2.52 0.15 0.00 -0.53 0.00 0.00 54.79 51.88 1lxf n ASP 65 Cb 0.40 -1.47 0.70 0.00 -0.64 0.00 0.00 41.12 40.10 1lxf n ASP 65 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1lxf n GLU 66 N 3.24 0.45 -0.04 -1.24 1.02 -1.24 -3.36 120.64 119.47 1lxf n GLU 66 Ca 0.64 -0.06 -0.02 0.00 -0.02 0.00 0.00 57.16 57.71 1lxf n GLU 66 Cb 0.45 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.28 1lxf n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1lxf n ASP 67 N -1.22 2.06 -0.02 1.62 5.68 -1.26 -5.02 116.55 118.39 1lxf n ASP 67 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 1lxf n ASP 67 Cb 0.26 1.04 0.00 0.00 -1.14 0.00 0.00 41.12 41.28 1lxf n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lxf n GLY 68 N 2.11 1.48 0.14 6.12 0.00 -1.21 -5.01 105.19 108.82 1lxf n GLY 68 Ca -0.14 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 1lxf n GLY 68 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lxf h SER 69 N 0.00 0.54 0.00 1.61 0.02 -1.93 -3.47 113.55 110.31 1lxf h SER 69 Ca 0.00 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1lxf h SER 69 Cb 0.07 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1lxf h SER 69 CO 0.00 1.31 0.00 0.61 -1.14 0.00 0.00 176.83 177.61 1lxf n GLY 70 N 1.17 0.31 1.94 -3.77 0.00 -1.26 -5.03 105.19 98.54 1lxf n GLY 70 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1lxf n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1lxf n THR 71 N -2.00 0.00 -3.77 2.61 -2.24 -1.26 -4.89 114.28 102.73 1lxf n THR 71 Ca 0.00 -1.33 -0.29 0.00 -2.27 0.00 0.00 64.05 60.17 1lxf n THR 71 Cb 0.00 0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 68.81 1lxf n THR 71 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1lxf s VAL 72 N -2.76 1.96 0.80 2.28 1.01 -0.73 -4.62 120.40 118.35 1lxf s VAL 72 Ca 0.22 -3.30 -0.11 0.00 0.00 0.00 0.00 61.98 58.79 1lxf s VAL 72 Cb 0.01 -2.33 0.17 0.00 0.00 0.00 0.00 36.38 34.22 1lxf s VAL 72 CO 0.15 -0.97 0.37 -0.90 0.00 0.00 0.00 175.10 173.76 1lxf n ASP 73 N 2.81 -2.74 0.00 3.32 5.68 -1.26 -1.56 116.55 122.80 1lxf n ASP 73 Ca 0.15 -0.38 0.07 0.00 -0.50 0.00 0.00 54.79 54.13 1lxf n ASP 73 Cb 0.36 -0.59 0.34 0.00 -1.14 0.00 0.00 41.12 40.09 1lxf n ASP 73 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1lxf n PHE 74 N -4.13 0.00 0.00 2.11 7.35 -0.27 -2.48 117.46 120.03 1lxf n PHE 74 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1lxf n PHE 74 Cb 0.26 -0.31 0.00 0.00 0.35 0.00 0.00 39.48 39.78 1lxf n PHE 74 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1lxf n ASP 75 N -1.31 0.00 -0.27 -2.13 9.92 -1.26 -3.93 116.55 117.57 1lxf n ASP 75 Ca 0.06 0.00 0.33 0.00 -0.53 0.00 0.00 54.79 54.65 1lxf n ASP 75 Cb 0.11 0.00 0.68 0.00 -0.64 0.00 0.00 41.12 41.28 1lxf n ASP 75 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1lxf h GLU 76 N 0.00 0.00 0.72 -1.24 4.11 -1.90 -0.09 114.58 116.18 1lxf h GLU 76 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1lxf h GLU 76 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1lxf h GLU 76 CO 0.00 0.00 -0.45 0.35 0.07 0.00 0.00 179.01 178.98 1lxf h PHE 77 N 0.00 -1.19 0.78 2.06 3.57 -1.69 0.21 116.94 120.68 1lxf h PHE 77 Ca 0.53 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.98 1lxf h PHE 77 Cb 2.43 0.43 -0.00 0.00 2.79 0.00 0.00 35.95 41.59 1lxf h PHE 77 CO 0.00 -0.67 -0.49 -0.07 -2.23 0.00 0.00 178.31 174.85 1lxf h LEU 78 N -1.10 -1.24 -0.71 0.59 3.38 -1.14 -2.96 115.31 112.14 1lxf h LEU 78 Ca -0.10 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1lxf h LEU 78 Cb 0.88 0.36 -0.11 0.00 0.09 0.00 0.00 40.66 41.88 1lxf h LEU 78 CO 0.10 -0.75 -0.54 0.58 0.09 0.00 0.00 178.44 177.92 1lxf h VAL 79 N -1.19 0.02 -0.86 1.22 2.07 -1.47 0.12 116.25 116.15 1lxf h VAL 79 Ca -0.10 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.57 1lxf h VAL 79 Cb 0.96 0.02 -0.15 0.00 -1.52 0.00 0.00 31.29 30.59 1lxf h VAL 79 CO 0.10 0.00 -0.27 0.80 0.02 0.00 0.00 177.57 178.23 1lxf n MET 80 N -5.34 -0.13 0.30 1.57 0.00 0.75 0.26 117.12 114.53 1lxf n MET 80 Ca 0.01 1.34 -0.12 0.00 -0.00 0.00 0.00 57.70 58.93 1lxf n MET 80 Cb 0.32 -1.99 -0.06 0.00 0.00 0.00 0.00 33.22 31.48 1lxf n MET 80 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 1lxf h MET 81 N 0.00 -0.75 -0.65 2.12 -1.53 -0.63 -2.16 114.93 111.33 1lxf h MET 81 Ca 0.37 0.05 0.13 0.00 -3.44 0.00 0.00 59.70 56.81 1lxf h MET 81 Cb 0.58 0.17 -0.04 0.00 -0.55 0.00 0.00 31.60 31.76 1lxf h MET 81 CO -0.88 -0.50 0.44 -0.24 0.14 0.00 0.00 176.91 175.88 1lxf h VAL 82 N -0.81 0.83 -0.90 -5.77 3.04 -0.21 0.20 116.25 112.62 1lxf h VAL 82 Ca -0.08 -0.12 0.03 0.00 -1.01 0.00 0.00 66.70 65.52 1lxf h VAL 82 Cb 0.59 0.46 -0.05 0.00 -2.01 0.00 0.00 31.29 30.28 1lxf h VAL 82 CO 0.13 0.06 0.59 -0.09 -1.01 0.00 0.00 177.57 177.25 1lxf h ARG 83 N 0.34 1.12 0.08 4.17 2.43 0.37 0.27 114.38 123.15 1lxf h ARG 83 Ca 0.31 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.30 1lxf h ARG 83 Cb 0.75 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1lxf h ARG 83 CO -0.08 0.74 -0.51 0.00 -1.51 0.00 0.00 179.97 178.61 1lxf h MET 85 N -0.66 0.54 -0.03 0.00 2.86 -0.56 0.43 114.93 117.51 1lxf h MET 85 Ca -0.10 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1lxf h MET 85 Cb 1.36 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 1lxf h MET 85 CO 0.07 0.36 0.03 0.87 1.06 0.00 0.00 176.91 179.30 1lxf h LYS 86 N 0.56 0.00 0.00 1.72 1.57 -0.59 -3.41 116.57 116.43 1lxf h LYS 86 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1lxf h LYS 86 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1lxf h LYS 86 CO -0.25 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.38 1lxf n ASP 87 N -3.96 0.00 -4.68 0.86 8.00 0.45 -5.10 116.55 112.12 1lxf n ASP 87 Ca -0.02 0.00 -0.49 0.00 0.71 0.00 0.00 54.79 54.98 1lxf n ASP 87 Cb 0.12 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 1lxf n ASP 87 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1lxf n ASP 88 N 0.00 3.18 0.00 -2.24 8.00 0.12 -4.58 116.55 121.03 1lxf n ASP 88 Ca 0.00 1.01 0.00 0.00 0.71 0.00 0.00 54.79 56.51 1lxf n ASP 88 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.76 1lxf n ASP 88 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27