#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxf n ASP 2 N 0.00 6.45 0.02 7.83 8.00 -1.26 -4.82 116.55 132.77 1lxf n ASP 2 Ca 0.00 -3.52 -0.01 0.00 0.71 0.00 0.00 54.79 51.97 1lxf n ASP 2 Cb 0.00 -1.16 -0.00 0.00 -0.02 0.00 0.00 41.12 39.93 1lxf n ASP 2 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1lxf h ASP 3 N 4.84 -0.05 -1.76 -2.24 3.58 -2.05 0.83 116.42 119.56 1lxf h ASP 3 Ca 0.30 0.00 0.53 0.00 0.42 0.00 0.00 57.03 58.29 1lxf h ASP 3 Cb 0.52 0.01 -0.09 0.00 1.72 0.00 0.00 39.33 41.49 1lxf h ASP 3 CO 1.23 -0.01 1.24 2.30 -2.88 0.00 0.00 179.24 181.12 1lxf n ILE 4 N -2.28 -0.07 0.00 2.25 -5.35 -1.26 0.23 119.36 112.88 1lxf n ILE 4 Ca -0.01 1.52 -0.20 0.00 -0.27 0.00 0.00 62.75 63.80 1lxf n ILE 4 Cb 0.02 -2.53 -0.14 0.00 -1.74 0.00 0.00 39.64 35.26 1lxf n ILE 4 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1lxf h TYR 5 N 0.00 0.37 -0.56 4.28 -1.99 -1.93 -3.02 116.97 114.12 1lxf h TYR 5 Ca 0.90 -0.27 0.11 0.00 2.00 0.00 0.00 58.73 61.47 1lxf h TYR 5 Cb 3.42 -0.01 -0.11 0.00 2.00 0.00 0.00 36.73 42.03 1lxf h TYR 5 CO -0.00 1.37 -0.17 0.87 -0.00 0.00 0.00 178.16 180.23 1lxf h LYS 6 N -0.51 -0.03 -0.33 4.88 1.79 1.00 2.05 116.57 125.43 1lxf h LYS 6 Ca -0.20 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.26 1lxf h LYS 6 Cb 1.55 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.19 1lxf h LYS 6 CO 0.06 -0.02 0.15 0.00 -1.08 0.00 0.00 179.45 178.56 1lxf h ALA 7 N 1.48 0.43 -0.46 3.86 0.00 -1.15 0.85 119.26 124.27 1lxf h ALA 7 Ca 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1lxf h ALA 7 Cb 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1lxf h ALA 7 CO -0.60 -0.00 0.10 0.00 0.00 0.00 0.00 179.25 178.75 1lxf h ALA 8 N 1.00 1.31 0.00 0.00 0.00 -0.87 0.83 119.26 121.53 1lxf h ALA 8 Ca 0.11 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1lxf h ALA 8 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1lxf h ALA 8 CO -0.01 0.48 -0.39 0.28 0.00 0.00 0.00 179.25 179.61 1lxf h VAL 9 N 0.68 0.71 0.06 0.00 2.07 0.37 -3.17 116.25 116.97 1lxf h VAL 9 Ca 0.15 -1.83 -0.27 0.00 0.82 0.00 0.00 66.70 65.56 1lxf h VAL 9 Cb 0.27 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1lxf h VAL 9 CO -0.00 0.38 -1.41 -0.33 0.02 0.00 0.00 177.57 176.23 1lxf h GLU 10 N 0.00 0.12 -0.92 1.57 4.39 0.18 -3.30 114.58 116.62 1lxf h GLU 10 Ca -0.00 -0.20 0.07 0.00 0.34 0.00 0.00 59.36 59.56 1lxf h GLU 10 Cb 1.19 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.86 1lxf h GLU 10 CO 0.05 0.94 0.60 1.96 -1.16 0.00 0.00 179.01 181.40 1lxf h GLN 11 N 0.03 0.99 -7.11 2.33 4.20 0.67 -3.42 115.11 112.80 1lxf h GLN 11 Ca -0.18 -0.06 -0.55 0.00 0.06 0.00 0.00 58.65 57.91 1lxf h GLN 11 Cb 1.94 -0.22 0.17 0.00 0.30 0.00 0.00 27.48 29.66 1lxf h GLN 11 CO 0.13 0.66 0.44 1.28 -0.67 0.00 0.00 178.83 180.67 1lxf n LEU 12 N -4.50 5.46 -4.81 1.46 4.77 -1.21 -5.02 117.00 113.15 1lxf n LEU 12 Ca 0.14 0.76 -0.22 0.00 -0.03 0.00 0.00 56.01 56.67 1lxf n LEU 12 Cb 0.22 -1.53 -0.04 0.00 -2.33 0.00 0.00 43.42 39.74 1lxf n LEU 12 CO 0.32 -1.25 -0.15 0.42 -1.33 0.00 0.00 177.39 175.40 1lxf s THR 13 N -1.58 3.87 0.63 -5.08 -4.23 -1.26 -4.97 115.64 103.02 1lxf s THR 13 Ca 0.80 -1.46 0.24 0.00 -1.18 0.00 0.00 61.69 60.09 1lxf s THR 13 Cb -0.36 -3.23 0.29 0.00 1.34 0.00 0.00 72.50 70.54 1lxf s THR 13 CO 0.43 -0.27 1.68 -0.33 -0.54 0.00 0.00 174.62 175.60 1lxf h GLU 14 N 1.44 0.00 0.00 3.99 4.39 -1.97 -1.43 114.58 120.99 1lxf h GLU 14 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1lxf h GLU 14 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1lxf h GLU 14 CO 0.60 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.84 1lxf n GLU 15 N -3.14 0.00 -0.23 2.33 1.02 -1.26 -0.86 120.64 118.49 1lxf n GLU 15 Ca 0.05 0.36 0.11 0.00 -0.02 0.00 0.00 57.16 57.66 1lxf n GLU 15 Cb 0.73 -1.32 0.39 0.00 -0.02 0.00 0.00 31.44 31.22 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 0.65 0.09 3.49 -0.00 -1.82 -1.82 115.11 115.70 1lxf h GLN 16 Ca 0.00 -0.04 0.02 0.00 -0.00 0.00 0.00 58.65 58.63 1lxf h GLN 16 Cb 0.00 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.48 27.30 1lxf h GLN 16 CO 0.00 0.43 -0.28 0.87 -0.00 0.00 0.00 178.83 179.85 1lxf h LYS 17 N 0.67 -0.46 0.00 0.06 1.79 -1.25 -0.02 116.57 117.35 1lxf h LYS 17 Ca 0.39 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 1lxf h LYS 17 Cb 0.60 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1lxf h LYS 17 CO -0.16 -0.31 0.00 0.09 -1.08 0.00 0.00 179.45 177.99 1lxf n ASN 18 N -5.39 0.00 -0.43 0.86 3.02 -0.04 -0.69 115.26 112.59 1lxf n ASN 18 Ca -0.06 0.88 0.37 0.00 -0.03 0.00 0.00 54.58 55.74 1lxf n ASN 18 Cb 0.30 -0.38 0.63 0.00 -0.61 0.00 0.00 39.78 39.73 1lxf n ASN 18 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1lxf n GLU 19 N -1.88 -0.04 0.22 3.52 0.28 -1.03 0.38 120.64 122.09 1lxf n GLU 19 Ca 0.00 1.22 -0.13 0.00 -0.16 0.00 0.00 57.16 58.08 1lxf n GLU 19 Cb 0.00 -2.36 -0.08 0.00 1.43 0.00 0.00 31.44 30.43 1lxf n GLU 19 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1lxf h PHE 20 N 0.00 -0.54 -1.03 -1.84 3.04 -0.33 -2.95 116.94 113.30 1lxf h PHE 20 Ca 0.84 -0.01 0.29 0.00 3.98 0.00 0.00 57.97 63.06 1lxf h PHE 20 Cb 2.63 0.18 -0.05 0.00 2.56 0.00 0.00 35.95 41.26 1lxf h PHE 20 CO -0.01 -0.21 0.72 0.87 -2.02 0.00 0.00 178.31 177.66 1lxf h LYS 21 N -0.92 0.09 -0.03 1.11 1.57 0.22 -1.64 116.57 116.98 1lxf h LYS 21 Ca -0.06 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1lxf h LYS 21 Cb 0.57 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 1lxf h LYS 21 CO 0.10 0.06 -0.43 0.00 -0.57 0.00 0.00 179.45 178.60 1lxf h ALA 22 N 1.51 -0.85 0.00 3.86 0.00 -1.11 0.27 119.26 122.95 1lxf h ALA 22 Ca 0.51 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 1lxf h ALA 22 Cb 1.85 0.88 -0.00 0.00 0.00 0.00 0.00 17.79 20.52 1lxf h ALA 22 CO -0.06 -0.99 -0.01 0.00 0.00 0.00 0.00 179.25 178.19 1lxf h ALA 23 N -0.61 1.09 0.00 0.00 0.00 -1.39 0.60 119.26 118.94 1lxf h ALA 23 Ca 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1lxf h ALA 23 Cb 0.57 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1lxf h ALA 23 CO -0.30 0.01 -0.21 0.74 0.00 0.00 0.00 179.25 179.48 1lxf h PHE 24 N 0.00 0.00 -0.23 0.00 0.04 -0.21 -0.68 116.94 115.87 1lxf h PHE 24 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1lxf h PHE 24 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1lxf h PHE 24 CO 0.00 0.21 0.00 -0.25 -0.60 0.00 0.00 178.31 177.67 1lxf n ASP 25 N -3.70 1.25 0.00 2.17 9.92 0.20 -3.84 116.55 122.55 1lxf n ASP 25 Ca -0.01 -2.00 0.00 0.00 -0.53 0.00 0.00 54.79 52.24 1lxf n ASP 25 Cb 0.33 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 1lxf n ASP 25 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1lxf n ILE 26 N 0.17 0.00 0.51 0.53 2.08 -0.42 -3.95 119.36 118.28 1lxf n ILE 26 Ca 0.08 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.45 1lxf n ILE 26 Cb 0.20 -0.52 0.29 0.00 -0.75 0.00 0.00 39.64 38.86 1lxf n ILE 26 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 1lxf n PHE 27 N -2.15 0.00 -2.17 1.39 -1.74 -0.40 -2.56 117.46 109.83 1lxf n PHE 27 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1lxf n PHE 27 Cb 0.41 -0.40 -0.00 0.00 1.52 0.00 0.00 39.48 41.00 1lxf n PHE 27 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 1lxf n VAL 28 N -1.40 0.00 0.17 1.97 0.24 -1.25 -4.47 118.33 113.59 1lxf n VAL 28 Ca 0.04 -0.34 0.11 0.00 -2.04 0.00 0.00 64.34 62.11 1lxf n VAL 28 Cb 0.12 0.59 0.60 0.00 -1.47 0.00 0.00 33.84 33.69 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 0.57 -0.00 1.34 -0.00 -1.06 -1.51 117.00 116.51 1lxf n LEU 29 Ca -0.02 0.77 0.00 0.00 -0.00 0.00 0.00 56.01 56.76 1lxf n LEU 29 Cb 0.82 -0.84 -0.00 0.00 -0.00 0.00 0.00 43.42 43.40 1lxf n LEU 29 CO -0.04 -0.96 -0.35 0.61 -0.00 0.00 0.00 177.39 176.65 1lxf n GLY 30 N -1.28 0.29 3.75 1.47 0.00 -1.26 -5.05 105.19 103.12 1lxf n GLY 30 Ca -0.01 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.72 2.55 0.00 4.61 0.00 -0.57 -4.94 121.76 121.69 1lxf s ALA 31 Ca -0.00 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1lxf s ALA 31 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1lxf s ALA 31 CO 0.01 -1.16 0.94 -1.91 0.00 0.00 0.00 175.76 173.64 1lxf n GLU 32 N -1.57 0.00 -0.00 0.00 2.13 -1.26 -4.56 120.64 115.37 1lxf n GLU 32 Ca 0.14 0.87 -0.01 0.00 0.66 0.00 0.00 57.16 58.82 1lxf n GLU 32 Cb 0.49 -1.44 -0.00 0.00 0.27 0.00 0.00 31.44 30.76 1lxf n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1lxf n ASP 33 N -2.63 0.21 -2.71 4.31 5.68 -1.26 -4.99 116.55 115.16 1lxf n ASP 33 Ca 0.00 0.03 -0.07 0.00 -0.50 0.00 0.00 54.79 54.25 1lxf n ASP 33 Cb 0.00 -0.30 0.10 0.00 -1.14 0.00 0.00 41.12 39.78 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 2.44 0.78 3.36 6.12 0.00 -1.26 -4.98 105.19 111.63 1lxf n GLY 34 Ca -0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.38 4.34 -0.06 0.00 1.01 -0.17 -4.60 121.20 121.33 1lxf s ILE 36 Ca 0.03 -0.62 -0.16 0.00 0.00 0.00 0.00 60.65 59.91 1lxf s ILE 36 Cb -0.12 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.81 1lxf s ILE 36 CO 0.02 -0.35 0.37 -0.55 0.00 0.00 0.00 174.94 174.43 1lxf s SER 37 N -4.15 -0.30 0.45 3.58 0.15 -1.26 -2.03 113.70 110.13 1lxf s SER 37 Ca 0.45 0.38 0.35 0.00 0.70 0.00 0.00 55.95 57.84 1lxf s SER 37 Cb -0.10 0.50 1.47 0.00 -1.71 0.00 0.00 66.02 66.19 1lxf s SER 37 CO 0.36 -0.35 1.47 0.35 1.20 0.00 0.00 173.24 176.27 1lxf n THR 38 N 1.81 -0.17 0.02 6.45 -2.24 -1.26 0.23 114.28 119.11 1lxf n THR 38 Ca -0.18 1.62 -0.16 0.00 -2.27 0.00 0.00 64.05 63.06 1lxf n THR 38 Cb 0.57 -2.67 -0.14 0.00 -2.10 0.00 0.00 70.33 65.99 1lxf n THR 38 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1lxf h LYS 39 N 0.00 0.17 0.24 -0.78 1.63 -1.90 -3.34 116.57 112.60 1lxf h LYS 39 Ca 0.85 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 60.34 1lxf h LYS 39 Cb 2.93 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 34.68 1lxf h LYS 39 CO -0.32 0.95 -0.12 0.93 -3.45 0.00 0.00 179.45 177.44 1lxf h GLU 40 N 0.05 -0.31 -0.85 1.90 4.39 0.24 -3.16 114.58 116.84 1lxf h GLU 40 Ca -0.31 0.02 0.25 0.00 0.34 0.00 0.00 59.36 59.66 1lxf h GLU 40 Cb 2.02 0.07 -0.16 0.00 -0.10 0.00 0.00 28.75 30.58 1lxf h GLU 40 CO 0.11 -0.21 0.07 -0.11 -1.16 0.00 0.00 179.01 177.72 1lxf n LEU 41 N -3.05 -0.05 -0.55 1.33 7.94 0.09 0.22 117.00 122.93 1lxf n LEU 41 Ca -0.04 1.45 0.46 0.00 -1.11 0.00 0.00 56.01 56.76 1lxf n LEU 41 Cb 0.13 -0.55 0.79 0.00 0.53 0.00 0.00 43.42 44.32 1lxf n LEU 41 CO 0.10 -1.49 1.42 1.23 -1.11 0.00 0.00 177.39 177.54 1lxf h GLY 42 N 0.00 0.05 0.87 -3.96 0.00 -1.67 0.08 103.07 98.44 1lxf h GLY 42 Ca 0.55 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.83 1lxf h GLY 42 CO -0.79 -0.01 -0.42 0.50 0.00 0.00 0.00 176.54 175.82 1lxf h LYS 43 N 0.01 -1.12 0.15 4.80 1.57 0.25 -2.53 116.57 119.69 1lxf h LYS 43 Ca 0.79 0.08 0.01 0.00 -1.87 0.00 0.00 60.65 59.65 1lxf h LYS 43 Cb 3.14 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 35.66 1lxf h LYS 43 CO -0.02 -0.75 -0.52 0.28 -0.57 0.00 0.00 179.45 177.87 1lxf h VAL 44 N -1.23 0.00 -0.88 0.50 2.07 -1.12 -2.19 116.25 113.40 1lxf h VAL 44 Ca -0.12 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.53 1lxf h VAL 44 Cb 0.89 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.52 1lxf h VAL 44 CO 0.20 0.00 -0.36 0.23 0.02 0.00 0.00 177.57 177.66 1lxf n MET 45 N -5.40 -0.22 -0.10 1.57 2.81 -1.06 -1.00 117.12 113.72 1lxf n MET 45 Ca -0.09 1.36 -0.03 0.00 -1.81 0.00 0.00 57.70 57.13 1lxf n MET 45 Cb 0.41 -2.01 -0.02 0.00 -0.71 0.00 0.00 33.22 30.88 1lxf n MET 45 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1lxf n ARG 46 N -5.29 -0.11 0.07 0.03 0.63 0.53 0.25 116.66 112.78 1lxf n ARG 46 Ca 0.09 0.99 0.19 0.00 -0.92 0.00 0.00 57.85 58.19 1lxf n ARG 46 Cb 0.34 -1.48 0.53 0.00 0.45 0.00 0.00 32.46 32.31 1lxf n ARG 46 CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 1lxf h MET 47 N 0.00 0.00 -0.91 -0.14 2.86 -1.05 1.02 114.93 116.71 1lxf h MET 47 Ca 0.04 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 1lxf h MET 47 Cb 0.10 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.69 1lxf h MET 47 CO -0.23 0.00 0.15 1.28 1.06 0.00 0.00 176.91 179.16 1lxf n LEU 48 N -3.20 3.87 -0.74 1.22 4.77 0.69 -4.81 117.00 118.80 1lxf n LEU 48 Ca 0.10 -1.99 -0.10 0.00 -0.03 0.00 0.00 56.01 53.99 1lxf n LEU 48 Cb 0.94 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1lxf n LEU 48 CO 0.19 0.58 -0.09 0.61 -1.33 0.00 0.00 177.39 177.35 1lxf n GLY 49 N 0.02 1.05 2.80 -0.72 0.00 0.35 -4.97 105.19 103.72 1lxf n GLY 49 Ca 0.19 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.60 0.59 -0.54 1.61 -0.21 -0.98 -5.00 119.66 112.53 1lxf s GLN 50 Ca 0.00 0.07 0.04 0.00 0.02 0.00 0.00 55.36 55.49 1lxf s GLN 50 Cb 0.00 -0.87 0.14 0.00 1.00 0.00 0.00 33.01 33.28 1lxf s GLN 50 CO 0.00 -0.24 0.31 1.21 -2.12 0.00 0.00 175.29 174.44 1lxf s ASN 51 N 1.67 4.19 0.95 5.90 3.04 -1.26 0.20 114.94 129.63 1lxf s ASN 51 Ca 0.00 -3.11 -0.06 0.00 0.04 0.00 0.00 52.86 49.73 1lxf s ASN 51 Cb -0.13 -1.48 0.09 0.00 -1.54 0.00 0.00 41.25 38.20 1lxf s ASN 51 CO -0.04 -0.21 0.54 -0.81 -3.04 0.00 0.00 177.10 173.55 1lxf n PRO 52 N 2.95 -0.45 -3.98 0.43 -0.04 -1.26 -5.01 135.00 127.64 1lxf n PRO 52 Ca 0.09 -0.89 -0.27 0.00 -0.04 0.00 0.00 63.50 62.40 1lxf n PRO 52 Cb 0.34 -0.54 -0.02 0.00 -0.04 0.00 0.00 33.50 33.23 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 -2.11 1.71 -1.21 0.52 -4.23 -1.26 -4.91 115.64 104.15 1lxf s THR 53 Ca 0.31 -1.55 0.29 0.00 -1.18 0.00 0.00 61.69 59.56 1lxf s THR 53 Cb -0.01 -2.26 0.37 0.00 1.34 0.00 0.00 72.50 71.94 1lxf s THR 53 CO 0.22 0.00 1.97 -0.81 -0.54 0.00 0.00 174.62 175.46 1lxf n PRO 54 N -1.66 0.21 -0.03 3.99 -0.04 -1.26 -2.47 135.00 133.75 1lxf n PRO 54 Ca -0.03 -0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.22 1lxf n PRO 54 Cb 0.64 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.47 1lxf n PRO 54 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1lxf h GLU 55 N 0.02 0.13 -0.13 0.54 4.39 -1.95 -2.81 114.58 114.78 1lxf h GLU 55 Ca 0.00 -0.23 -0.17 0.00 0.34 0.00 0.00 59.36 59.30 1lxf h GLU 55 Cb 0.40 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1lxf h GLU 55 CO 0.00 1.11 -0.63 0.93 -1.16 0.00 0.00 179.01 179.26 1lxf h GLU 56 N -0.62 0.46 0.01 2.33 5.08 -1.96 -3.22 114.58 116.65 1lxf h GLU 56 Ca -0.25 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 57.79 1lxf h GLU 56 Cb 1.49 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1lxf h GLU 56 CO -0.02 0.94 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.85 1lxf h LEU 57 N 0.33 -0.01 -0.95 1.33 3.38 -1.64 -3.04 115.31 114.71 1lxf h LEU 57 Ca -0.01 -0.30 0.21 0.00 0.09 0.00 0.00 57.88 57.87 1lxf h LEU 57 Cb 1.18 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.75 1lxf h LEU 57 CO 0.11 0.29 -0.17 1.67 0.09 0.00 0.00 178.44 180.44 1lxf n GLN 58 N -4.95 -0.08 -0.29 1.13 0.00 -1.06 0.25 117.38 112.38 1lxf n GLN 58 Ca -0.08 1.47 0.09 0.00 -0.00 0.00 0.00 57.00 58.48 1lxf n GLN 58 Cb 0.17 -2.23 0.24 0.00 0.00 0.00 0.00 30.24 28.42 1lxf n GLN 58 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1lxf h GLU 59 N 0.00 0.48 0.00 3.69 3.07 -1.57 1.06 114.58 121.31 1lxf h GLU 59 Ca 0.49 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.27 1lxf h GLU 59 Cb 0.83 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 1lxf h GLU 59 CO -0.96 0.32 -0.24 0.52 -1.40 0.00 0.00 179.01 177.25 1lxf h MET 60 N 0.49 0.00 -0.04 2.33 2.86 0.33 -2.74 114.93 118.16 1lxf h MET 60 Ca 0.48 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.96 1lxf h MET 60 Cb 0.79 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1lxf h MET 60 CO -0.43 0.24 -0.69 0.82 1.06 0.00 0.00 176.91 177.90 1lxf h ILE 61 N 0.00 1.42 0.00 -1.22 1.08 0.37 -2.86 117.51 116.30 1lxf h ILE 61 Ca -0.00 -2.19 -0.02 0.00 -0.39 0.00 0.00 64.86 62.25 1lxf h ILE 61 Cb 0.77 2.16 -0.00 0.00 -3.07 0.00 0.00 36.82 36.67 1lxf h ILE 61 CO 0.03 0.64 -0.11 -0.78 -0.69 0.00 0.00 178.15 177.25 1lxf h ASP 62 N 0.15 0.00 -0.19 1.72 3.58 -0.43 1.74 116.42 123.00 1lxf h ASP 62 Ca -0.02 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 1lxf h ASP 62 Cb 1.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 1lxf h ASP 62 CO 0.11 0.11 0.07 -0.33 -2.88 0.00 0.00 179.24 176.32 1lxf h GLU 63 N 0.00 0.35 0.00 0.28 4.39 -1.53 -3.23 114.58 114.83 1lxf h GLU 63 Ca -0.00 -0.04 -0.24 0.00 0.34 0.00 0.00 59.36 59.42 1lxf h GLU 63 Cb 0.26 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 1lxf h GLU 63 CO 0.01 0.32 -1.91 1.33 -1.16 0.00 0.00 179.01 177.60 1lxf n VAL 64 N -4.41 0.92 -0.88 3.13 0.24 -0.54 -4.71 118.33 112.07 1lxf n VAL 64 Ca 0.01 -0.41 -0.32 0.00 -2.04 0.00 0.00 64.34 61.58 1lxf n VAL 64 Cb 0.15 -0.97 -0.04 0.00 -1.47 0.00 0.00 33.84 31.51 1lxf n VAL 64 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1lxf n ASP 65 N -2.84 3.36 0.03 -1.34 9.92 0.58 -4.42 116.55 121.84 1lxf n ASP 65 Ca -0.27 -2.48 0.13 0.00 -0.53 0.00 0.00 54.79 51.64 1lxf n ASP 65 Cb 0.84 -1.05 0.41 0.00 -0.64 0.00 0.00 41.12 40.68 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 5.71 0.09 -0.23 -1.24 -0.58 -1.26 -3.32 120.64 119.80 1lxf n GLU 66 Ca 0.44 0.05 0.08 0.00 -0.42 0.00 0.00 57.16 57.31 1lxf n GLU 66 Cb 0.26 -1.58 0.21 0.00 -0.57 0.00 0.00 31.44 29.77 1lxf n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1lxf n ASP 67 N -1.71 3.26 -2.20 1.62 5.68 -1.26 -4.94 116.55 117.00 1lxf n ASP 67 Ca 0.06 -1.98 -0.20 0.00 -0.50 0.00 0.00 54.79 52.17 1lxf n ASP 67 Cb 0.37 -0.31 -0.03 0.00 -1.14 0.00 0.00 41.12 40.01 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 0.95 0.12 0.28 6.12 0.00 -1.21 -4.85 105.19 106.60 1lxf n GLY 68 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1lxf n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1lxf h SER 69 N 0.00 0.70 0.00 1.61 4.64 -1.92 -3.46 113.55 115.12 1lxf h SER 69 Ca -0.46 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1lxf h SER 69 Cb 1.35 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1lxf h SER 69 CO 0.58 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.94 1lxf n GLY 70 N -0.64 0.74 3.47 -0.77 0.00 -1.26 -5.04 105.19 101.71 1lxf n GLY 70 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1lxf n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lxf s THR 71 N -2.42 0.00 -0.37 2.61 -4.23 -1.26 -4.77 115.64 105.21 1lxf s THR 71 Ca 0.00 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1lxf s THR 71 Cb 0.00 -2.47 0.11 0.00 1.34 0.00 0.00 72.50 71.48 1lxf s THR 71 CO 0.00 0.00 0.15 -0.69 -0.54 0.00 0.00 174.62 173.54 1lxf s VAL 72 N -3.56 1.21 0.36 2.29 1.01 -0.86 -4.65 120.40 116.19 1lxf s VAL 72 Ca 0.29 -1.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.26 1lxf s VAL 72 Cb 0.01 -1.88 0.08 0.00 0.00 0.00 0.00 36.38 34.59 1lxf s VAL 72 CO 0.15 -0.76 0.19 -0.90 0.00 0.00 0.00 175.10 173.78 1lxf n ASP 73 N 4.26 -2.17 0.00 3.32 5.68 -1.25 -0.99 116.55 125.40 1lxf n ASP 73 Ca 0.03 -0.19 0.11 0.00 -0.50 0.00 0.00 54.79 54.24 1lxf n ASP 73 Cb 0.39 -0.25 0.68 0.00 -1.14 0.00 0.00 41.12 40.79 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 -3.47 0.00 0.00 2.11 7.35 -0.41 -3.72 117.46 119.31 1lxf n PHE 74 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 1lxf n PHE 74 Cb 0.13 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.96 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 -0.86 0.00 -0.57 -2.13 8.00 -1.26 -4.54 116.55 115.20 1lxf n ASP 75 Ca 0.17 0.00 0.46 0.00 0.71 0.00 0.00 54.79 56.13 1lxf n ASP 75 Cb 0.08 -0.20 0.76 0.00 -0.02 0.00 0.00 41.12 41.74 1lxf n ASP 75 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1lxf h GLU 76 N 0.00 0.02 0.00 -1.24 4.11 -1.93 -2.28 114.58 113.27 1lxf h GLU 76 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1lxf h GLU 76 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1lxf h GLU 76 CO 0.00 0.02 0.00 0.34 0.07 0.00 0.00 179.01 179.44 1lxf n PHE 77 N -4.21 0.00 -0.40 2.06 7.35 -1.24 -1.27 117.46 119.75 1lxf n PHE 77 Ca 0.39 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.99 1lxf n PHE 77 Cb 1.72 -0.18 -0.08 0.00 0.35 0.00 0.00 39.48 41.29 1lxf n PHE 77 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1lxf n LEU 78 N -1.31 -0.97 -0.09 -2.13 4.77 -0.86 -1.43 117.00 114.98 1lxf n LEU 78 Ca 0.00 1.72 -0.03 0.00 -0.03 0.00 0.00 56.01 57.68 1lxf n LEU 78 Cb 0.00 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1lxf n LEU 78 CO 0.00 -1.43 0.50 0.58 -1.33 0.00 0.00 177.39 175.71 1lxf h VAL 79 N 0.00 0.00 -1.40 4.08 2.07 -1.47 1.39 116.25 120.92 1lxf h VAL 79 Ca 0.18 0.00 0.41 0.00 0.82 0.00 0.00 66.70 68.11 1lxf h VAL 79 Cb 0.43 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 1lxf h VAL 79 CO -0.92 0.00 1.02 -0.03 0.02 0.00 0.00 177.57 177.66 1lxf h MET 80 N -0.00 0.00 0.06 1.57 1.85 0.01 1.41 114.93 119.84 1lxf h MET 80 Ca 0.04 0.00 -0.24 0.00 -0.61 0.00 0.00 59.70 58.89 1lxf h MET 80 Cb 0.09 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 1lxf h MET 80 CO -0.21 0.00 -1.08 0.52 -0.40 0.00 0.00 176.91 175.75 1lxf h MET 81 N 0.00 0.22 0.00 0.39 2.07 0.25 -2.90 114.93 114.96 1lxf h MET 81 Ca 0.67 -0.32 0.00 0.00 -2.07 0.00 0.00 59.70 57.97 1lxf h MET 81 Cb 2.70 0.11 0.00 0.00 -1.87 0.00 0.00 31.60 32.54 1lxf h MET 81 CO -0.01 1.10 0.00 0.28 1.07 0.00 0.00 176.91 179.36 1lxf n VAL 82 N -3.56 0.62 0.02 -2.22 0.31 0.46 -2.11 118.33 111.85 1lxf n VAL 82 Ca -0.06 -0.24 -0.21 0.00 -0.01 0.00 0.00 64.34 63.83 1lxf n VAL 82 Cb 0.93 -0.64 -0.14 0.00 -0.91 0.00 0.00 33.84 33.08 1lxf n VAL 82 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1lxf h ARG 83 N 0.00 0.25 0.00 5.55 2.43 -0.82 -3.25 114.38 118.54 1lxf h ARG 83 Ca 0.00 -0.43 -0.06 0.00 -0.81 0.00 0.00 59.98 58.68 1lxf h ARG 83 Cb 0.70 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1lxf h ARG 83 CO 0.00 1.21 -0.30 0.00 -1.51 0.00 0.00 179.97 179.37 1lxf h MET 85 N 0.00 0.00 0.00 0.00 2.86 -1.54 -1.90 114.93 114.35 1lxf h MET 85 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1lxf h MET 85 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1lxf h MET 85 CO 0.04 0.18 0.00 1.63 1.06 0.00 0.00 176.91 179.82 1lxf n LYS 86 N -3.30 0.00 -2.31 1.72 5.02 -1.10 -4.61 118.16 113.57 1lxf n LYS 86 Ca 0.01 0.15 -0.40 0.00 -2.02 0.00 0.00 58.31 56.05 1lxf n LYS 86 Cb 0.43 -0.56 0.02 0.00 -0.02 0.00 0.00 35.03 34.91 1lxf n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1lxf n ASP 87 N -1.82 7.44 -4.66 4.39 9.92 -1.01 -5.01 116.55 125.81 1lxf n ASP 87 Ca 0.00 -3.70 -0.47 0.00 -0.53 0.00 0.00 54.79 50.09 1lxf n ASP 87 Cb 0.00 -1.15 -0.05 0.00 -0.64 0.00 0.00 41.12 39.29 1lxf n ASP 87 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1lxf n ASP 88 N -0.11 2.84 0.00 -2.24 2.03 -0.71 -4.83 116.55 113.53 1lxf n ASP 88 Ca 0.50 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.90 1lxf n ASP 88 Cb 0.26 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.28 1lxf n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08