#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 7.28 0.02 7.83 9.92 -1.26 -4.63 116.55 135.70 1lxf n ASP 2 Ca 0.00 -3.82 -0.18 0.00 -0.53 0.00 0.00 54.79 50.26 1lxf n ASP 2 Cb 0.00 -1.03 -0.12 0.00 -0.64 0.00 0.00 41.12 39.34 1lxf n ASP 2 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1lxf h ASP 3 N 3.07 0.57 -1.48 -2.24 5.19 -2.06 -2.96 116.42 116.50 1lxf h ASP 3 Ca 0.54 -0.80 0.48 0.00 -0.62 0.00 0.00 57.03 56.63 1lxf h ASP 3 Cb 0.12 -0.18 -0.11 0.00 0.18 0.00 0.00 39.33 39.34 1lxf h ASP 3 CO 1.37 1.30 1.00 2.30 -3.12 0.00 0.00 179.24 182.08 1lxf n ILE 4 N -4.15 -0.16 -0.09 0.35 -0.00 -1.26 0.47 119.36 114.52 1lxf n ILE 4 Ca -0.11 1.61 -0.19 0.00 -0.00 0.00 0.00 62.75 64.05 1lxf n ILE 4 Cb 0.74 -2.65 -0.12 0.00 -0.00 0.00 0.00 39.64 37.61 1lxf n ILE 4 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.55 178.43 1lxf h TYR 5 N 0.00 0.03 -1.29 4.28 0.05 -1.94 -3.34 116.97 114.76 1lxf h TYR 5 Ca 0.85 -0.02 0.37 0.00 0.05 0.00 0.00 58.73 59.98 1lxf h TYR 5 Cb 2.96 -0.00 -0.05 0.00 1.01 0.00 0.00 36.73 40.65 1lxf h TYR 5 CO -0.00 1.34 1.15 0.87 -1.05 0.00 0.00 178.16 180.47 1lxf h LYS 6 N -0.96 0.00 0.12 4.88 1.79 0.20 -0.32 116.57 122.28 1lxf h LYS 6 Ca -0.23 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.23 1lxf h LYS 6 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1lxf h LYS 6 CO -0.13 0.00 -0.06 0.00 -1.08 0.00 0.00 179.45 178.18 1lxf h ALA 7 N 0.90 -0.52 -0.53 3.86 0.00 -1.36 0.04 119.26 121.64 1lxf h ALA 7 Ca 0.61 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.58 1lxf h ALA 7 Cb 2.91 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 20.66 1lxf h ALA 7 CO -0.01 -0.51 -0.37 0.00 0.00 0.00 0.00 179.25 178.37 1lxf h ALA 8 N -1.79 -0.17 -0.16 0.00 0.00 -1.24 1.16 119.26 117.04 1lxf h ALA 8 Ca -0.02 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1lxf h ALA 8 Cb 0.13 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1lxf h ALA 8 CO 0.03 -0.74 0.14 -0.39 0.00 0.00 0.00 179.25 178.29 1lxf h VAL 9 N -0.21 0.70 -0.08 0.00 -1.51 -1.36 -0.68 116.25 113.11 1lxf h VAL 9 Ca 0.20 0.00 -0.24 0.00 -1.23 0.00 0.00 66.70 65.43 1lxf h VAL 9 Cb 0.56 0.90 0.01 0.00 -2.13 0.00 0.00 31.29 30.62 1lxf h VAL 9 CO -0.65 0.00 -0.90 -0.33 -1.23 0.00 0.00 177.57 174.47 1lxf h GLU 10 N 0.00 0.71 -0.20 5.19 4.39 0.32 -3.26 114.58 121.73 1lxf h GLU 10 Ca 0.08 -0.66 0.02 0.00 0.34 0.00 0.00 59.36 59.13 1lxf h GLU 10 Cb 0.36 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1lxf h GLU 10 CO -0.00 1.26 0.08 1.96 -1.16 0.00 0.00 179.01 181.15 1lxf h GLN 11 N 0.45 0.18 -6.35 2.33 1.08 0.12 -3.43 115.11 109.50 1lxf h GLN 11 Ca -0.08 -0.01 -0.65 0.00 -1.45 0.00 0.00 58.65 56.46 1lxf h GLN 11 Cb 1.53 -0.04 0.06 0.00 -0.05 0.00 0.00 27.48 28.98 1lxf h GLN 11 CO 0.18 0.12 0.50 1.28 -0.95 0.00 0.00 178.83 179.96 1lxf n LEU 12 N -5.03 2.01 -4.85 1.46 4.77 -0.94 -4.94 117.00 109.48 1lxf n LEU 12 Ca -0.03 1.12 -0.32 0.00 -0.03 0.00 0.00 56.01 56.75 1lxf n LEU 12 Cb 0.07 -1.26 -0.05 0.00 -2.33 0.00 0.00 43.42 39.85 1lxf n LEU 12 CO 0.31 -0.90 0.45 -0.89 -1.33 0.00 0.00 177.39 175.02 1lxf s THR 13 N 0.42 4.68 0.57 -5.08 2.01 -1.26 -4.85 115.64 112.14 1lxf s THR 13 Ca 0.80 0.91 0.40 0.00 0.31 0.00 0.00 61.69 64.12 1lxf s THR 13 Cb -0.86 -3.64 0.59 0.00 0.01 0.00 0.00 72.50 68.60 1lxf s THR 13 CO 0.46 -0.30 1.54 1.05 -0.69 0.00 0.00 174.62 176.68 1lxf h GLU 14 N 1.92 0.00 0.00 4.92 4.11 -1.95 -1.21 114.58 122.36 1lxf h GLU 14 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1lxf h GLU 14 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1lxf h GLU 14 CO 0.65 0.00 0.00 0.39 0.07 0.00 0.00 179.01 180.12 1lxf n GLU 15 N -3.75 0.00 -0.28 1.06 -0.58 -1.26 -1.73 120.64 114.10 1lxf n GLU 15 Ca 0.34 0.65 -0.06 0.00 -0.42 0.00 0.00 57.16 57.67 1lxf n GLU 15 Cb 1.70 -1.39 0.07 0.00 -0.57 0.00 0.00 31.44 31.25 1lxf n GLU 15 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1lxf h GLN 16 N 0.00 1.17 -1.10 3.49 3.07 -1.64 -2.00 115.11 118.11 1lxf h GLN 16 Ca 0.00 -0.22 0.32 0.00 0.09 0.00 0.00 58.65 58.84 1lxf h GLN 16 Cb 0.00 -0.19 -0.04 0.00 0.08 0.00 0.00 27.48 27.33 1lxf h GLN 16 CO 0.00 0.96 1.08 0.87 0.09 0.00 0.00 178.83 181.82 1lxf h LYS 17 N 1.14 0.00 0.07 0.06 1.79 -1.06 0.30 116.57 118.87 1lxf h LYS 17 Ca 0.26 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1lxf h LYS 17 Cb 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1lxf h LYS 17 CO -0.02 0.00 -0.04 -0.91 -1.08 0.00 0.00 179.45 177.41 1lxf h ASN 18 N 0.00 -0.08 -1.47 0.86 2.35 -0.54 -3.18 115.58 113.51 1lxf h ASN 18 Ca 0.52 0.00 0.48 0.00 -0.55 0.00 0.00 56.30 56.75 1lxf h ASN 18 Cb 2.67 0.02 -0.11 0.00 0.05 0.00 0.00 38.32 40.95 1lxf h ASN 18 CO -0.01 0.34 0.99 -1.84 -1.65 0.00 0.00 177.43 175.27 1lxf n GLU 19 N -4.50 -0.02 0.20 0.81 0.28 0.06 -0.09 120.64 117.37 1lxf n GLU 19 Ca -0.01 1.12 -0.08 0.00 -0.16 0.00 0.00 57.16 58.02 1lxf n GLU 19 Cb 0.04 -2.32 -0.04 0.00 1.43 0.00 0.00 31.44 30.55 1lxf n GLU 19 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 1lxf h PHE 20 N 0.00 -0.50 -1.40 -1.84 0.04 -1.56 -3.00 116.94 108.68 1lxf h PHE 20 Ca 0.84 -0.01 0.46 0.00 2.80 0.00 0.00 57.97 62.06 1lxf h PHE 20 Cb 2.95 0.17 -0.12 0.00 2.20 0.00 0.00 35.95 41.14 1lxf h PHE 20 CO -0.00 -0.31 0.92 0.87 -0.60 0.00 0.00 178.31 179.18 1lxf h LYS 21 N -0.81 0.05 0.57 1.51 1.57 -0.47 0.50 116.57 119.49 1lxf h LYS 21 Ca -0.06 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1lxf h LYS 21 Cb 0.41 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1lxf h LYS 21 CO 0.09 0.04 -0.37 0.00 -0.57 0.00 0.00 179.45 178.64 1lxf h ALA 22 N 1.54 -0.91 -0.00 3.86 0.00 -1.22 -1.32 119.26 121.19 1lxf h ALA 22 Ca 0.84 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1lxf h ALA 22 Cb 2.75 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 21.00 1lxf h ALA 22 CO -0.38 -1.03 0.01 0.00 0.00 0.00 0.00 179.25 177.84 1lxf h ALA 23 N -0.55 1.41 0.00 0.00 0.00 0.07 0.19 119.26 120.38 1lxf h ALA 23 Ca -0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1lxf h ALA 23 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1lxf h ALA 23 CO 0.06 -0.01 -0.17 0.74 0.00 0.00 0.00 179.25 179.87 1lxf h PHE 24 N 0.00 0.00 -0.00 0.00 0.04 -0.05 0.26 116.94 117.18 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 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1lxf h PHE 24 CO 0.00 0.17 -0.03 -0.25 -0.60 0.00 0.00 178.31 177.60 1lxf n ASP 25 N -3.64 0.35 -0.05 2.17 8.00 0.68 -3.26 116.55 120.80 1lxf n ASP 25 Ca -0.01 -0.82 -0.09 0.00 0.71 0.00 0.00 54.79 54.58 1lxf n ASP 25 Cb 0.30 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 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 -0.86 0.52 0.30 0.53 2.08 -0.15 -3.18 119.36 118.60 1lxf n ILE 26 Ca 0.19 -0.15 0.18 0.00 0.56 0.00 0.00 62.75 63.53 1lxf n ILE 26 Cb 0.21 -1.39 0.93 0.00 -0.75 0.00 0.00 39.64 38.64 1lxf n ILE 26 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1lxf h PHE 27 N -0.24 0.00 -0.53 1.39 -1.00 -0.70 -2.40 116.94 113.46 1lxf h PHE 27 Ca -0.23 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.27 1lxf h PHE 27 Cb 1.24 0.00 -0.32 0.00 3.61 0.00 0.00 35.95 40.48 1lxf h PHE 27 CO -0.02 0.00 -0.90 1.33 -1.61 0.00 0.00 178.31 177.11 1lxf n VAL 28 N -3.12 0.76 0.78 -0.55 0.24 -1.20 -4.36 118.33 110.87 1lxf n VAL 28 Ca -0.01 -2.47 0.10 0.00 -2.04 0.00 0.00 64.34 59.91 1lxf n VAL 28 Cb 0.30 0.94 0.45 0.00 -1.47 0.00 0.00 33.84 34.07 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 -0.49 0.00 0.00 1.34 -0.00 -0.90 -2.84 117.00 114.11 1lxf n LEU 29 Ca 0.03 0.42 0.00 0.00 -0.00 0.00 0.00 56.01 56.46 1lxf n LEU 29 Cb 0.83 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1lxf n LEU 29 CO 0.10 -0.14 0.20 0.61 -0.00 0.00 0.00 177.39 178.15 1lxf n GLY 30 N 0.47 -0.28 2.19 1.47 0.00 -1.26 -5.02 105.19 102.75 1lxf n GLY 30 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 1lxf n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lxf n ALA 31 N -0.08 -1.05 -0.11 4.61 0.00 -1.13 -5.05 120.51 117.71 1lxf n ALA 31 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1lxf n ALA 31 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1lxf n ALA 31 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1lxf n GLU 32 N -2.75 0.00 -0.00 0.00 2.13 -1.26 -4.90 120.64 113.85 1lxf n GLU 32 Ca 0.09 0.45 -0.02 0.00 0.66 0.00 0.00 57.16 58.34 1lxf n GLU 32 Cb 0.33 -1.01 -0.01 0.00 0.27 0.00 0.00 31.44 31.02 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 -1.84 0.73 -2.61 4.31 5.68 -1.26 -4.99 116.55 116.58 1lxf n ASP 33 Ca 0.00 0.11 -0.04 0.00 -0.50 0.00 0.00 54.79 54.36 1lxf n ASP 33 Cb 0.00 -0.35 0.11 0.00 -1.14 0.00 0.00 41.12 39.74 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 2.70 1.44 3.42 6.12 0.00 -1.26 -5.03 105.19 112.57 1lxf n GLY 34 Ca -0.03 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 1.19 5.24 0.00 0.00 1.01 0.73 -4.66 121.20 124.71 1lxf s ILE 36 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1lxf s ILE 36 Cb -0.14 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1lxf s ILE 36 CO 0.01 -0.08 0.00 -0.24 0.00 0.00 0.00 174.94 174.63 1lxf n SER 37 N -0.37 1.23 0.06 3.58 2.88 -1.26 0.51 113.62 120.25 1lxf n SER 37 Ca -0.05 -0.75 -0.18 0.00 -1.33 0.00 0.00 58.87 56.56 1lxf n SER 37 Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 1lxf n SER 37 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1lxf h THR 38 N 0.75 1.10 0.08 2.46 1.35 -1.89 -2.90 112.91 113.87 1lxf h THR 38 Ca 0.00 -2.73 -0.26 0.00 -0.55 0.00 0.00 66.41 62.87 1lxf h THR 38 Cb 0.00 2.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 1lxf h THR 38 CO 0.00 0.82 -1.20 0.50 -0.25 0.00 0.00 175.52 175.39 1lxf h LYS 39 N 0.08 0.17 0.28 4.72 3.64 -1.92 -3.26 116.57 120.27 1lxf h LYS 39 Ca -0.26 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 58.81 1lxf h LYS 39 Cb 2.04 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.97 1lxf h LYS 39 CO 0.17 1.12 -0.13 1.49 -2.27 0.00 0.00 179.45 179.82 1lxf h GLU 40 N 0.05 -0.36 -0.92 1.90 4.57 -1.93 -3.29 114.58 114.60 1lxf h GLU 40 Ca -0.11 0.02 0.16 0.00 -1.18 0.00 0.00 59.36 58.26 1lxf h GLU 40 Cb 1.91 0.08 -0.16 0.00 -0.16 0.00 0.00 28.75 30.42 1lxf h GLU 40 CO 0.17 -0.24 -0.29 -0.11 -1.18 0.00 0.00 179.01 177.36 1lxf n LEU 41 N -3.60 -0.46 -0.52 1.64 7.94 -1.09 0.16 117.00 121.07 1lxf n LEU 41 Ca -0.05 1.59 0.42 0.00 -1.11 0.00 0.00 56.01 56.87 1lxf n LEU 41 Cb 0.15 -0.42 0.68 0.00 0.53 0.00 0.00 43.42 44.36 1lxf n LEU 41 CO 0.11 -1.48 1.23 0.61 -1.11 0.00 0.00 177.39 176.76 1lxf n GLY 42 N -1.51 -0.84 0.33 -3.96 0.00 -1.23 0.26 105.19 98.24 1lxf n GLY 42 Ca 0.12 0.70 -0.05 0.00 0.00 0.00 0.00 46.02 46.79 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 1.12 -0.02 1.61 1.57 0.14 -0.31 116.57 120.68 1lxf h LYS 43 Ca 0.85 -0.21 -0.22 0.00 -1.87 0.00 0.00 60.65 59.21 1lxf h LYS 43 Cb 2.97 -0.18 0.02 0.00 0.08 0.00 0.00 32.23 35.11 1lxf h LYS 43 CO -0.31 0.93 -0.83 0.28 -0.57 0.00 0.00 179.45 178.94 1lxf h VAL 44 N 1.09 1.34 -0.40 0.50 2.07 0.34 -3.09 116.25 118.10 1lxf h VAL 44 Ca 0.25 -2.14 0.02 0.00 0.82 0.00 0.00 66.70 65.64 1lxf h VAL 44 Cb 0.24 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1lxf h VAL 44 CO -0.02 0.65 0.24 0.24 0.02 0.00 0.00 177.57 178.70 1lxf h MET 45 N 0.21 0.46 0.00 1.57 2.86 -1.07 0.20 114.93 119.16 1lxf h MET 45 Ca -0.10 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1lxf h MET 45 Cb 1.50 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.06 1lxf h MET 45 CO 0.16 0.31 0.00 0.07 1.06 0.00 0.00 176.91 178.51 1lxf h ARG 46 N 0.48 0.00 0.00 1.72 0.11 -0.40 0.13 114.38 116.42 1lxf h ARG 46 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 1lxf h ARG 46 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 1lxf h ARG 46 CO -0.07 0.00 -0.17 -1.33 0.10 0.00 0.00 179.97 178.49 1lxf n MET 47 N -2.74 0.18 -0.00 0.08 2.81 0.04 -3.33 117.12 114.16 1lxf n MET 47 Ca -0.02 0.12 0.08 0.00 -1.81 0.00 0.00 57.70 56.07 1lxf n MET 47 Cb 0.11 -1.68 -0.11 0.00 -0.71 0.00 0.00 33.22 30.83 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 -1.98 0.66 0.00 4.03 4.77 0.33 -4.96 117.00 119.87 1lxf n LEU 48 Ca 0.05 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1lxf n LEU 48 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1lxf n LEU 48 CO 0.31 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1lxf n GLY 49 N 1.42 1.31 3.76 -0.72 0.00 -0.97 -5.11 105.19 104.88 1lxf n GLY 49 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.40 3.55 -0.66 1.61 -1.52 -0.39 -4.98 119.66 116.87 1lxf s GLN 50 Ca 0.00 -0.26 0.06 0.00 -1.95 0.00 0.00 55.36 53.21 1lxf s GLN 50 Cb 0.00 -3.13 0.21 0.00 -0.22 0.00 0.00 33.01 29.87 1lxf s GLN 50 CO 0.00 0.59 0.62 -1.71 -0.25 0.00 0.00 175.29 174.54 1lxf n ASN 51 N 2.57 3.26 -2.14 5.90 5.15 -1.26 -1.99 115.26 126.75 1lxf n ASN 51 Ca -0.18 -3.30 0.00 0.00 -0.60 0.00 0.00 54.58 50.49 1lxf n ASN 51 Cb 0.54 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 1lxf n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1lxf n PRO 52 N 1.40 0.28 -4.39 1.20 -0.04 -1.26 -5.11 135.00 127.07 1lxf n PRO 52 Ca 0.25 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.51 1lxf n PRO 52 Cb 0.39 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.75 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 -0.66 0.73 -0.74 0.52 -4.23 -1.26 -5.04 115.64 104.97 1lxf s THR 53 Ca 0.00 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.77 1lxf s THR 53 Cb 0.00 -2.62 0.28 0.00 1.34 0.00 0.00 72.50 71.50 1lxf s THR 53 CO 0.00 0.00 1.79 -0.81 -0.54 0.00 0.00 174.62 175.06 1lxf n PRO 54 N -0.63 0.23 0.04 3.99 -0.04 -1.26 -1.34 135.00 135.99 1lxf n PRO 54 Ca -0.02 0.21 -0.18 0.00 -0.04 0.00 0.00 63.50 63.48 1lxf n PRO 54 Cb 0.66 -1.78 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 1lxf n PRO 54 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1lxf h GLU 55 N 0.00 0.24 0.06 0.54 4.11 -1.96 -3.27 114.58 114.29 1lxf h GLU 55 Ca 0.00 -0.41 -0.31 0.00 0.07 0.00 0.00 59.36 58.71 1lxf h GLU 55 Cb 0.69 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1lxf h GLU 55 CO 0.00 1.08 -1.74 0.93 0.07 0.00 0.00 179.01 179.35 1lxf h GLU 56 N 0.07 0.12 -0.52 1.06 5.08 -1.98 -3.35 114.58 115.05 1lxf h GLU 56 Ca -0.30 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1lxf h GLU 56 Cb 2.03 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 31.33 1lxf h GLU 56 CO 0.14 0.82 0.28 -0.07 -1.00 0.00 0.00 179.01 179.18 1lxf h LEU 57 N 0.03 0.64 -2.18 1.33 3.38 -1.39 -0.82 115.31 116.30 1lxf h LEU 57 Ca -0.31 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1lxf h LEU 57 Cb 2.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 1lxf h LEU 57 CO 0.10 0.52 0.14 -0.61 0.09 0.00 0.00 178.44 178.68 1lxf h GLN 58 N 0.73 0.00 0.00 1.13 5.75 -1.69 0.31 115.11 121.33 1lxf h GLN 58 Ca 0.19 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1lxf h GLN 58 Cb 0.03 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.58 1lxf h GLN 58 CO -0.03 0.00 0.00 0.93 -2.65 0.00 0.00 178.83 177.08 1lxf h GLU 59 N 0.00 0.00 0.06 1.69 5.08 -1.32 -2.02 114.58 118.07 1lxf h GLU 59 Ca 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1lxf h GLU 59 Cb 0.35 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.61 1lxf h GLU 59 CO -0.00 0.00 -0.39 0.52 -1.00 0.00 0.00 179.01 178.14 1lxf h MET 60 N 0.00 0.12 -0.36 2.33 2.86 -0.48 -3.30 114.93 116.10 1lxf h MET 60 Ca 0.00 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1lxf h MET 60 Cb 0.35 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1lxf h MET 60 CO 0.00 1.10 0.15 0.82 1.06 0.00 0.00 176.91 180.04 1lxf h ILE 61 N -0.74 1.18 -0.46 -1.22 5.03 -1.48 -1.74 117.51 118.08 1lxf h ILE 61 Ca -0.07 -0.55 0.13 0.00 -0.12 0.00 0.00 64.86 64.25 1lxf h ILE 61 Cb 1.28 0.87 -0.02 0.00 -3.03 0.00 0.00 36.82 35.92 1lxf h ILE 61 CO 0.06 0.20 0.63 -0.78 -0.68 0.00 0.00 178.15 177.57 1lxf h ASP 62 N 0.44 0.00 1.69 1.72 3.58 -1.50 2.71 116.42 125.05 1lxf h ASP 62 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1lxf h ASP 62 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1lxf h ASP 62 CO -0.01 0.00 -0.22 -0.33 -2.88 0.00 0.00 179.24 175.80 1lxf h GLU 63 N 0.00 0.00 0.00 0.28 5.08 -1.39 -3.31 114.58 115.24 1lxf h GLU 63 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1lxf h GLU 63 Cb 1.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.72 1lxf h GLU 63 CO -0.00 0.00 -1.43 1.33 -1.00 0.00 0.00 179.01 177.91 1lxf n VAL 64 N -2.86 0.00 -1.80 3.13 0.24 0.69 -4.81 118.33 112.91 1lxf n VAL 64 Ca 0.03 -0.21 -0.38 0.00 -2.04 0.00 0.00 64.34 61.74 1lxf n VAL 64 Cb 0.52 0.29 -0.04 0.00 -1.47 0.00 0.00 33.84 33.13 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 -1.82 3.32 0.06 -1.34 9.92 0.75 -4.57 116.55 122.88 1lxf n ASP 65 Ca -0.02 -2.75 0.12 0.00 -0.53 0.00 0.00 54.79 51.62 1lxf n ASP 65 Cb 0.24 -1.52 0.25 0.00 -0.64 0.00 0.00 41.12 39.45 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 7.58 0.25 -0.04 -1.24 1.02 -1.26 -3.72 120.64 123.23 1lxf n GLU 66 Ca 0.48 0.10 0.03 0.00 -0.02 0.00 0.00 57.16 57.76 1lxf n GLU 66 Cb 0.43 -1.69 -0.16 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.07 0.04 0.00 1.62 5.75 -1.26 -4.98 116.55 115.65 1lxf n ASP 67 Ca 0.04 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 1lxf n ASP 67 Cb 0.42 1.56 0.00 0.00 -1.03 0.00 0.00 41.12 42.07 1lxf n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lxf n GLY 68 N 1.44 0.69 0.28 6.12 0.00 -1.24 -4.96 105.19 107.51 1lxf n GLY 68 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.79 0.00 1.61 4.64 -1.94 -3.46 113.55 113.61 1lxf h SER 69 Ca 0.00 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1lxf h SER 69 Cb 0.00 0.45 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1lxf h SER 69 CO 0.00 -0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.32 1lxf n GLY 70 N -1.43 1.78 3.78 -0.77 0.00 -1.26 -5.12 105.19 102.17 1lxf n GLY 70 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 0.00 -0.41 2.61 -4.23 -1.26 -4.78 115.64 105.58 1lxf s THR 71 Ca 0.00 -1.05 -0.06 0.00 -1.18 0.00 0.00 61.69 59.41 1lxf s THR 71 Cb 0.00 -2.95 0.09 0.00 1.34 0.00 0.00 72.50 70.98 1lxf s THR 71 CO 0.00 0.00 0.22 -0.69 -0.54 0.00 0.00 174.62 173.61 1lxf s VAL 72 N -2.19 3.70 0.00 2.29 1.01 0.18 -4.57 120.40 120.82 1lxf s VAL 72 Ca 0.17 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.44 1lxf s VAL 72 Cb -0.05 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1lxf s VAL 72 CO 0.13 -0.56 0.00 -0.90 0.00 0.00 0.00 175.10 173.76 1lxf n ASP 73 N 4.75 -0.96 -0.55 3.32 5.68 -1.20 -0.19 116.55 127.40 1lxf n ASP 73 Ca -0.07 -0.38 0.04 0.00 -0.50 0.00 0.00 54.79 53.87 1lxf n ASP 73 Cb 0.42 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.51 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 -2.28 0.40 -0.01 2.11 7.35 -1.03 -3.49 117.46 120.51 1lxf n PHE 74 Ca 0.00 -0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.52 1lxf n PHE 74 Cb 0.00 -0.04 -0.02 0.00 0.35 0.00 0.00 39.48 39.76 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 0.22 4.32 -0.09 -2.13 9.92 -1.26 -4.73 116.55 122.80 1lxf n ASP 75 Ca 0.08 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.16 1lxf n ASP 75 Cb 0.27 0.91 -0.12 0.00 -0.64 0.00 0.00 41.12 41.54 1lxf n ASP 75 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1lxf h GLU 76 N 0.00 0.00 -0.53 -1.24 5.08 -1.90 -3.24 114.58 112.75 1lxf h GLU 76 Ca -0.03 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1lxf h GLU 76 Cb 0.54 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1lxf h GLU 76 CO 0.00 0.99 -0.31 0.34 -1.00 0.00 0.00 179.01 179.03 1lxf n PHE 77 N -4.52 -0.23 0.18 4.33 7.35 -1.23 0.18 117.46 123.52 1lxf n PHE 77 Ca -0.21 0.66 -0.11 0.00 -0.76 0.00 0.00 57.45 57.03 1lxf n PHE 77 Cb 0.58 -0.53 -0.06 0.00 0.35 0.00 0.00 39.48 39.82 1lxf n PHE 77 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1lxf h LEU 78 N 0.00 -0.87 -0.72 -2.13 3.38 -1.85 -2.55 115.31 110.57 1lxf h LEU 78 Ca 0.09 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.23 1lxf h LEU 78 Cb 0.22 0.29 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 1lxf h LEU 78 CO -0.50 -0.41 -0.42 0.58 0.09 0.00 0.00 178.44 177.78 1lxf h VAL 79 N -0.62 0.07 -1.65 1.22 2.07 -1.39 1.64 116.25 117.59 1lxf h VAL 79 Ca -0.04 0.00 0.48 0.00 0.82 0.00 0.00 66.70 67.96 1lxf h VAL 79 Cb 0.54 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 1lxf h VAL 79 CO -0.04 0.00 1.19 -0.03 0.02 0.00 0.00 177.57 178.70 1lxf h MET 80 N -0.14 0.00 0.00 1.57 1.85 0.22 0.22 114.93 118.65 1lxf h MET 80 Ca 0.23 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.32 1lxf h MET 80 Cb 0.55 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.58 1lxf h MET 80 CO -0.78 0.00 -0.25 0.52 -0.40 0.00 0.00 176.91 176.00 1lxf h MET 81 N 0.00 0.00 -1.32 0.39 2.86 0.27 -3.34 114.93 113.78 1lxf h MET 81 Ca 0.78 0.00 0.38 0.00 -2.06 0.00 0.00 59.70 58.81 1lxf h MET 81 Cb 3.15 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 34.76 1lxf h MET 81 CO -0.01 0.00 1.12 0.28 1.06 0.00 0.00 176.91 179.36 1lxf h VAL 82 N -0.94 0.14 0.79 -2.22 2.07 0.89 1.12 116.25 118.10 1lxf h VAL 82 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1lxf h VAL 82 Cb 0.25 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1lxf h VAL 82 CO 0.00 0.00 -0.42 0.03 0.02 0.00 0.00 177.57 177.20 1lxf h ARG 83 N 0.00 -1.07 0.02 1.57 3.08 -0.76 -2.88 114.38 114.34 1lxf h ARG 83 Ca 0.63 0.07 -0.23 0.00 0.07 0.00 0.00 59.98 60.52 1lxf h ARG 83 Cb 2.86 0.24 -0.03 0.00 0.08 0.00 0.00 29.97 33.13 1lxf h ARG 83 CO -0.01 -0.72 -1.10 0.00 -1.07 0.00 0.00 179.97 177.07 1lxf h MET 85 N 0.01 0.00 0.00 0.00 2.86 0.11 1.11 114.93 119.03 1lxf h MET 85 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1lxf h MET 85 Cb 1.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.48 1lxf h MET 85 CO 0.14 0.00 -0.83 1.63 1.06 0.00 0.00 176.91 178.90 1lxf n LYS 86 N -3.10 0.44 -2.05 1.72 5.02 -1.09 -4.66 118.16 114.44 1lxf n LYS 86 Ca 0.02 0.17 -0.38 0.00 -2.02 0.00 0.00 58.31 56.10 1lxf n LYS 86 Cb 0.55 -1.27 0.03 0.00 -0.02 0.00 0.00 35.03 34.32 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 -4.20 7.16 -3.83 4.39 8.00 -1.07 -5.03 116.55 121.96 1lxf n ASP 87 Ca -0.12 -3.81 -0.43 0.00 0.71 0.00 0.00 54.79 51.14 1lxf n ASP 87 Cb 0.43 -1.00 -0.03 0.00 -0.02 0.00 0.00 41.12 40.50 1lxf n ASP 87 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1lxf n ASP 88 N -0.50 -0.95 0.00 -2.24 5.68 0.38 -4.76 116.55 114.17 1lxf n ASP 88 Ca 0.51 0.99 0.00 0.00 -0.50 0.00 0.00 54.79 55.79 1lxf n ASP 88 Cb 0.29 -0.82 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 1lxf n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33