#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 0.00 -0.03 7.83 -0.08 -1.26 -4.82 116.55 118.19 1lxf n ASP 2 Ca 0.00 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.25 1lxf n ASP 2 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1lxf n ASP 2 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1lxf h ASP 3 N 0.00 -0.43 -1.61 1.67 3.32 -2.05 1.25 116.42 118.57 1lxf h ASP 3 Ca 0.00 0.06 0.49 0.00 0.02 0.00 0.00 57.03 57.60 1lxf h ASP 3 Cb 0.00 0.18 -0.09 0.00 0.22 0.00 0.00 39.33 39.64 1lxf h ASP 3 CO 0.00 -0.09 1.13 2.30 -1.72 0.00 0.00 179.24 180.86 1lxf n ILE 4 N -3.32 -0.08 0.05 0.35 -5.35 -1.26 0.25 119.36 110.00 1lxf n ILE 4 Ca -0.01 1.45 -0.22 0.00 -0.27 0.00 0.00 62.75 63.70 1lxf n ILE 4 Cb 0.08 -2.40 -0.14 0.00 -1.74 0.00 0.00 39.64 35.44 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 0.60 -0.77 4.28 0.05 -0.38 -3.23 116.97 117.52 1lxf h TYR 5 Ca 0.84 -0.44 0.18 0.00 0.05 0.00 0.00 58.73 59.36 1lxf h TYR 5 Cb 3.14 -0.02 -0.13 0.00 1.01 0.00 0.00 36.73 40.73 1lxf h TYR 5 CO -0.00 1.60 0.09 0.87 -1.05 0.00 0.00 178.16 179.67 1lxf h LYS 6 N -0.10 0.16 0.74 4.88 1.79 1.22 0.43 116.57 125.69 1lxf h LYS 6 Ca -0.31 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.11 1lxf h LYS 6 Cb 1.93 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 32.55 1lxf h LYS 6 CO 0.13 0.10 -0.36 0.00 -1.08 0.00 0.00 179.45 178.25 1lxf h ALA 7 N 1.69 -1.22 -1.26 3.86 0.00 -1.39 1.40 119.26 122.35 1lxf h ALA 7 Ca 0.44 -0.22 0.36 0.00 0.00 0.00 0.00 54.91 55.49 1lxf h ALA 7 Cb 0.79 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1lxf h ALA 7 CO -0.62 -1.15 0.88 0.00 0.00 0.00 0.00 179.25 178.36 1lxf h ALA 8 N -1.50 3.00 0.00 0.00 0.00 -1.33 2.45 119.26 121.87 1lxf h ALA 8 Ca -0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1lxf h ALA 8 Cb 0.76 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1lxf h ALA 8 CO 0.17 -1.40 -0.87 0.28 0.00 0.00 0.00 179.25 177.43 1lxf h VAL 9 N 0.09 0.27 0.11 0.00 2.07 0.40 -3.35 116.25 115.84 1lxf h VAL 9 Ca 0.63 -1.46 -0.27 0.00 0.82 0.00 0.00 66.70 66.42 1lxf h VAL 9 Cb 2.31 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 33.95 1lxf h VAL 9 CO -0.10 0.15 -1.40 -0.33 0.02 0.00 0.00 177.57 175.91 1lxf h GLU 10 N 0.00 0.23 -1.39 1.57 4.39 1.39 -3.31 114.58 117.47 1lxf h GLU 10 Ca -0.05 -0.40 0.41 0.00 0.34 0.00 0.00 59.36 59.67 1lxf h GLU 10 Cb 1.22 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 29.94 1lxf h GLU 10 CO 0.02 1.19 0.96 1.96 -1.16 0.00 0.00 179.01 181.98 1lxf h GLN 11 N -0.33 0.08 -6.29 2.33 1.08 0.30 -3.36 115.11 108.92 1lxf h GLN 11 Ca -0.30 -0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.33 1lxf h GLN 11 Cb 1.74 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 29.12 1lxf h GLN 11 CO 0.05 0.05 1.09 -0.51 -0.95 0.00 0.00 178.83 178.57 1lxf s LEU 12 N -8.73 3.91 1.02 1.46 1.43 -1.25 -5.00 118.68 111.54 1lxf s LEU 12 Ca -0.06 1.57 -0.17 0.00 -1.03 0.00 0.00 54.13 54.43 1lxf s LEU 12 Cb 0.26 -3.53 0.23 0.00 0.03 0.00 0.00 46.19 43.18 1lxf s LEU 12 CO 0.83 -1.20 1.31 0.42 0.23 0.00 0.00 176.35 177.94 1lxf s THR 13 N 4.97 1.92 -0.30 5.49 -4.23 -1.26 -4.79 115.64 117.44 1lxf s THR 13 Ca 0.68 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 61.41 1lxf s THR 13 Cb -0.24 -2.92 0.23 0.00 1.34 0.00 0.00 72.50 70.91 1lxf s THR 13 CO 0.28 0.00 1.67 -0.62 -0.54 0.00 0.00 174.62 175.41 1lxf n GLU 14 N -4.00 0.16 0.04 3.99 1.02 -1.26 -2.01 120.64 118.58 1lxf n GLU 14 Ca 0.16 0.56 -0.01 0.00 -0.02 0.00 0.00 57.16 57.85 1lxf n GLU 14 Cb 0.59 -1.93 -0.01 0.00 -0.02 0.00 0.00 31.44 30.08 1lxf n GLU 14 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1lxf h GLU 15 N 0.00 -0.09 -0.40 3.49 5.08 -2.00 -2.39 114.58 118.27 1lxf h GLU 15 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1lxf h GLU 15 Cb 0.13 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1lxf h GLU 15 CO 0.00 -0.06 0.25 0.37 -1.00 0.00 0.00 179.01 178.57 1lxf h GLN 16 N -0.13 0.54 -0.94 2.33 4.15 -1.91 -2.09 115.11 117.06 1lxf h GLN 16 Ca -0.01 -0.04 0.27 0.00 0.77 0.00 0.00 58.65 59.64 1lxf h GLN 16 Cb 0.07 -0.12 -0.14 0.00 0.21 0.00 0.00 27.48 27.51 1lxf h GLN 16 CO 0.02 0.38 0.40 0.87 -1.93 0.00 0.00 178.83 178.57 1lxf h LYS 17 N 0.54 0.30 0.00 1.69 6.56 -1.51 0.29 116.57 124.43 1lxf h LYS 17 Ca 0.15 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 1lxf h LYS 17 Cb -0.03 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.56 1lxf h LYS 17 CO -0.03 0.20 0.00 0.09 -2.06 0.00 0.00 179.45 177.65 1lxf n ASN 18 N -5.11 0.00 -0.69 0.86 3.02 -0.80 0.07 115.26 112.61 1lxf n ASN 18 Ca 0.26 0.64 0.52 0.00 -0.03 0.00 0.00 54.58 55.97 1lxf n ASN 18 Cb 0.79 -0.16 0.80 0.00 -0.61 0.00 0.00 39.78 40.61 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 -0.97 -0.00 0.10 3.52 0.28 -1.00 -0.15 120.64 122.42 1lxf n GLU 19 Ca 0.00 1.07 -0.04 0.00 -0.16 0.00 0.00 57.16 58.03 1lxf n GLU 19 Cb 0.00 -2.46 -0.02 0.00 1.43 0.00 0.00 31.44 30.39 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 -0.25 -1.69 -1.84 3.04 -0.08 -3.10 116.94 113.02 1lxf h PHE 20 Ca 0.92 -0.01 0.49 0.00 3.98 0.00 0.00 57.97 63.36 1lxf h PHE 20 Cb 3.67 0.08 -0.07 0.00 2.56 0.00 0.00 35.95 42.20 1lxf h PHE 20 CO -0.00 -0.16 1.21 0.87 -2.02 0.00 0.00 178.31 178.22 1lxf h LYS 21 N -0.46 0.00 0.39 1.11 1.57 0.31 0.24 116.57 119.73 1lxf h LYS 21 Ca -0.03 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1lxf h LYS 21 Cb 0.21 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1lxf h LYS 21 CO 0.05 0.00 -0.31 0.00 -0.57 0.00 0.00 179.45 178.62 1lxf h ALA 22 N 1.16 -1.06 -0.46 3.86 0.00 -1.15 2.17 119.26 123.78 1lxf h ALA 22 Ca 0.80 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.55 1lxf h ALA 22 Cb 3.22 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 21.48 1lxf h ALA 22 CO -0.01 -1.06 0.16 0.00 0.00 0.00 0.00 179.25 178.35 1lxf h ALA 23 N -1.34 1.43 0.00 0.00 0.00 -0.64 0.21 119.26 118.92 1lxf h ALA 23 Ca -0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1lxf h ALA 23 Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1lxf h ALA 23 CO 0.01 0.43 -0.23 0.35 0.00 0.00 0.00 179.25 179.81 1lxf h PHE 24 N 0.65 0.00 0.00 0.00 3.57 -0.35 -0.35 116.94 120.46 1lxf h PHE 24 Ca 0.16 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1lxf h PHE 24 Cb 0.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1lxf h PHE 24 CO 0.01 0.23 0.00 -0.25 -2.23 0.00 0.00 178.31 176.07 1lxf n ASP 25 N -3.77 0.00 -0.11 0.41 9.92 0.73 -3.42 116.55 120.30 1lxf n ASP 25 Ca -0.01 -0.46 -0.25 0.00 -0.53 0.00 0.00 54.79 53.54 1lxf n ASP 25 Cb 0.34 -0.16 -0.11 0.00 -0.64 0.00 0.00 41.12 40.55 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 -1.16 1.54 -0.26 0.53 2.08 -0.15 -2.83 119.36 119.11 1lxf n ILE 26 Ca 0.17 -0.22 0.30 0.00 0.56 0.00 0.00 62.75 63.56 1lxf n ILE 26 Cb 0.17 -1.94 0.69 0.00 -0.75 0.00 0.00 39.64 37.80 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 -0.91 0.13 -0.75 1.39 0.04 -1.54 0.28 116.94 115.59 1lxf h PHE 27 Ca -0.50 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.75 1lxf h PHE 27 Cb 1.48 -0.04 -0.43 0.00 2.20 0.00 0.00 35.95 39.17 1lxf h PHE 27 CO 0.02 0.02 -0.84 1.33 -0.60 0.00 0.00 178.31 178.24 1lxf n VAL 28 N -4.30 2.44 1.38 -0.55 0.24 -1.23 -4.59 118.33 111.70 1lxf n VAL 28 Ca 0.22 -4.15 0.11 0.00 -2.04 0.00 0.00 64.34 58.49 1lxf n VAL 28 Cb 1.04 -0.97 0.66 0.00 -1.47 0.00 0.00 33.84 33.10 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 -0.70 0.00 -1.39 1.34 -0.00 0.99 -3.50 117.00 113.74 1lxf n LEU 29 Ca 0.41 0.04 -0.05 0.00 -0.00 0.00 0.00 56.01 56.42 1lxf n LEU 29 Cb 0.95 -0.04 -0.01 0.00 -0.00 0.00 0.00 43.42 44.31 1lxf n LEU 29 CO 0.38 -0.01 0.39 0.61 -0.00 0.00 0.00 177.39 178.75 1lxf n GLY 30 N 0.46 0.76 0.00 1.47 0.00 -1.26 -5.06 105.19 101.56 1lxf n GLY 30 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.39 0.00 1.02 4.61 0.00 -1.23 -5.02 120.51 119.51 1lxf n ALA 31 Ca -0.22 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.33 1lxf n ALA 31 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.92 0.49 0.00 0.00 0.00 -1.26 -4.94 120.64 114.01 1lxf n GLU 32 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 57.16 56.77 1lxf n GLU 32 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 29.95 1lxf n GLU 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1lxf n ASP 33 N -0.92 0.00 -0.69 4.31 5.68 -1.26 -5.03 116.55 118.64 1lxf n ASP 33 Ca 0.07 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.34 1lxf n ASP 33 Cb 0.38 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.34 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 -0.12 0.81 3.85 6.12 0.00 -1.26 -5.00 105.19 109.59 1lxf n GLY 34 Ca 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.74 3.73 0.52 0.00 1.01 0.25 -4.50 121.20 120.47 1lxf s ILE 36 Ca 0.47 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.75 1lxf s ILE 36 Cb -0.13 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.75 1lxf s ILE 36 CO 0.19 0.51 0.34 -0.44 0.00 0.00 0.00 174.94 175.54 1lxf s SER 37 N 0.27 4.58 0.26 3.58 0.01 -1.26 -1.02 113.70 120.12 1lxf s SER 37 Ca -0.04 -1.26 0.08 0.00 1.31 0.00 0.00 55.95 56.04 1lxf s SER 37 Cb -0.14 0.31 0.30 0.00 0.21 0.00 0.00 66.02 66.70 1lxf s SER 37 CO 0.03 -1.01 1.58 0.71 0.41 0.00 0.00 173.24 174.97 1lxf h THR 38 N 0.89 1.43 0.04 1.44 1.35 -1.89 0.33 112.91 116.49 1lxf h THR 38 Ca -0.38 -2.09 -0.27 0.00 -0.55 0.00 0.00 66.41 63.11 1lxf h THR 38 Cb 1.30 2.11 -0.03 0.00 -1.73 0.00 0.00 68.15 69.80 1lxf h THR 38 CO 0.60 0.61 -1.45 0.11 -0.25 0.00 0.00 175.52 175.14 1lxf h LYS 39 N 0.06 0.08 0.00 4.72 1.57 -1.92 -2.61 116.57 118.47 1lxf h LYS 39 Ca -0.01 -0.13 -0.17 0.00 -1.87 0.00 0.00 60.65 58.47 1lxf h LYS 39 Cb 1.11 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1lxf h LYS 39 CO 0.09 0.84 -0.81 0.93 -0.57 0.00 0.00 179.45 179.93 1lxf h GLU 40 N 0.02 0.00 0.02 3.15 3.07 -1.86 -3.30 114.58 115.68 1lxf h GLU 40 Ca -0.19 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1lxf h GLU 40 Cb 1.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.85 1lxf h GLU 40 CO 0.12 0.81 -0.01 1.25 -1.40 0.00 0.00 179.01 179.78 1lxf h LEU 41 N 0.00 -0.02 -1.63 1.33 5.85 -1.03 -3.28 115.31 116.53 1lxf h LEU 41 Ca -0.01 -0.67 0.52 0.00 0.84 0.00 0.00 57.88 58.56 1lxf h LEU 41 Cb 1.49 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.41 1lxf h LEU 41 CO 0.11 0.78 1.11 0.61 -0.34 0.00 0.00 178.44 180.71 1lxf n GLY 42 N 1.44 -0.90 0.52 3.75 0.00 -0.98 0.10 105.19 109.12 1lxf n GLY 42 Ca -0.07 0.73 -0.20 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.23 0.02 1.61 1.79 -1.64 -2.33 116.57 114.79 1lxf h LYS 43 Ca 0.90 0.08 0.02 0.00 -2.18 0.00 0.00 60.65 59.48 1lxf h LYS 43 Cb 3.23 0.28 -0.05 0.00 -1.58 0.00 0.00 32.23 34.11 1lxf h LYS 43 CO -0.27 -0.82 -0.50 0.28 -1.08 0.00 0.00 179.45 177.06 1lxf h VAL 44 N -1.28 0.05 -0.99 0.50 2.07 -0.47 -0.32 116.25 115.80 1lxf h VAL 44 Ca -0.12 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.76 1lxf h VAL 44 Cb 1.00 0.05 -0.18 0.00 -1.52 0.00 0.00 31.29 30.64 1lxf h VAL 44 CO 0.17 0.00 0.36 0.24 0.02 0.00 0.00 177.57 178.36 1lxf h MET 45 N -0.66 0.03 -0.89 1.57 2.86 -1.46 1.92 114.93 118.30 1lxf h MET 45 Ca 0.02 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1lxf h MET 45 Cb 0.71 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.30 1lxf h MET 45 CO -0.33 0.02 0.54 -0.09 1.06 0.00 0.00 176.91 178.11 1lxf h ARG 46 N 0.03 0.92 -0.26 1.72 2.43 0.93 0.15 114.38 120.30 1lxf h ARG 46 Ca 0.75 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.88 1lxf h ARG 46 Cb 1.85 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 31.18 1lxf h ARG 46 CO -0.81 0.61 0.16 0.52 -1.51 0.00 0.00 179.97 178.93 1lxf h MET 47 N 0.95 0.31 0.00 0.20 2.86 0.32 -1.56 114.93 118.01 1lxf h MET 47 Ca 0.41 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 58.03 1lxf h MET 47 Cb 0.28 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1lxf h MET 47 CO -0.21 0.21 -0.00 -0.07 1.06 0.00 0.00 176.91 177.90 1lxf h LEU 48 N 0.32 0.00 0.00 1.22 4.07 -0.82 -3.45 115.31 116.66 1lxf h LEU 48 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1lxf h LEU 48 Cb -0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1lxf h LEU 48 CO -0.04 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.93 1lxf n GLY 49 N -1.49 1.11 3.41 0.83 0.00 -0.57 -5.12 105.19 103.36 1lxf n GLY 49 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.49 -0.65 1.61 -1.52 0.43 -4.95 119.66 118.07 1lxf s GLN 50 Ca 0.00 -0.61 0.00 0.00 -1.95 0.00 0.00 55.36 52.80 1lxf s GLN 50 Cb 0.00 -2.81 0.16 0.00 -0.22 0.00 0.00 33.01 30.15 1lxf s GLN 50 CO 0.00 0.15 0.45 1.21 -0.25 0.00 0.00 175.29 176.85 1lxf s ASN 51 N 0.57 5.04 0.05 5.90 2.47 -1.26 -0.64 114.94 127.06 1lxf s ASN 51 Ca -0.05 -3.16 0.00 0.00 0.42 0.00 0.00 52.86 50.06 1lxf s ASN 51 Cb -0.15 -1.78 0.00 0.00 -1.45 0.00 0.00 41.25 37.87 1lxf s ASN 51 CO 0.03 -0.26 0.00 -0.81 -3.72 0.00 0.00 177.10 172.34 1lxf n PRO 52 N 3.00 1.01 -4.44 0.43 -0.04 -1.26 -5.07 135.00 128.63 1lxf n PRO 52 Ca 0.11 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1lxf n PRO 52 Cb 0.36 0.00 -0.10 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 0.01 0.86 -0.55 0.52 -4.23 -1.26 -5.04 115.64 105.94 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 -2.61 0.30 0.00 1.34 0.00 0.00 72.50 71.53 1lxf s THR 53 CO 0.00 0.00 1.74 1.55 -0.54 0.00 0.00 174.62 177.37 1lxf h PRO 54 N 2.06 0.00 0.13 3.99 0.13 -1.99 -1.73 132.00 134.59 1lxf h PRO 54 Ca -0.38 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.42 1lxf h PRO 54 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1lxf h PRO 54 CO 0.63 0.00 -1.71 0.93 -0.23 0.00 0.00 178.00 177.63 1lxf h GLU 55 N 0.00 0.27 0.07 0.86 4.39 -1.96 -3.20 114.58 115.02 1lxf h GLU 55 Ca 0.00 -0.47 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 1lxf h GLU 55 Cb 0.72 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1lxf h GLU 55 CO 0.00 1.14 -0.03 0.93 -1.16 0.00 0.00 179.01 179.88 1lxf h GLU 56 N 0.07 -0.09 -0.66 2.33 5.08 -1.96 -3.16 114.58 116.20 1lxf h GLU 56 Ca -0.31 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.24 1lxf h GLU 56 Cb 2.05 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.29 1lxf h GLU 56 CO 0.15 0.49 0.52 -0.07 -1.00 0.00 0.00 179.01 179.10 1lxf h LEU 57 N -0.82 0.00 -1.71 1.33 3.38 -1.49 0.58 115.31 116.58 1lxf h LEU 57 Ca -0.01 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1lxf h LEU 57 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1lxf h LEU 57 CO 0.02 0.00 0.25 -0.61 0.09 0.00 0.00 178.44 178.19 1lxf h GLN 58 N 0.00 0.37 0.00 1.13 5.75 -1.53 0.25 115.11 121.08 1lxf h GLN 58 Ca 0.31 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 1lxf h GLN 58 Cb 1.35 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.81 1lxf h GLN 58 CO -0.00 0.25 0.00 0.93 -2.65 0.00 0.00 178.83 177.35 1lxf h GLU 59 N 0.38 0.00 0.00 1.69 5.08 0.08 -2.40 114.58 119.41 1lxf h GLU 59 Ca 0.15 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1lxf h GLU 59 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1lxf h GLU 59 CO -0.03 0.00 -0.11 0.52 -1.00 0.00 0.00 179.01 178.38 1lxf h MET 60 N 0.00 0.07 -0.19 2.33 2.86 -0.51 -3.31 114.93 116.18 1lxf h MET 60 Ca 0.00 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1lxf h MET 60 Cb 0.55 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1lxf h MET 60 CO 0.00 0.88 0.08 0.82 1.06 0.00 0.00 176.91 179.75 1lxf h ILE 61 N -0.71 1.16 -0.91 -1.22 5.03 -1.42 -2.96 117.51 116.47 1lxf h ILE 61 Ca -0.01 -0.47 0.21 0.00 -0.12 0.00 0.00 64.86 64.47 1lxf h ILE 61 Cb 0.92 1.12 -0.17 0.00 -3.03 0.00 0.00 36.82 35.66 1lxf h ILE 61 CO 0.02 0.15 -0.12 0.47 -0.68 0.00 0.00 178.15 177.99 1lxf n ASP 62 N -4.85 -0.24 0.16 1.72 8.00 -0.91 0.28 116.55 120.71 1lxf n ASP 62 Ca -0.04 1.56 -0.13 0.00 0.71 0.00 0.00 54.79 56.89 1lxf n ASP 62 Cb 0.12 -0.51 -0.08 0.00 -0.02 0.00 0.00 41.12 40.63 1lxf n ASP 62 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1lxf h GLU 63 N 0.00 -0.65 0.00 -1.24 5.08 -1.60 -1.67 114.58 114.49 1lxf h GLU 63 Ca 0.49 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1lxf h GLU 63 Cb 0.87 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1lxf h GLU 63 CO -0.91 -0.44 0.00 -0.39 -1.00 0.00 0.00 179.01 176.28 1lxf h VAL 64 N -0.68 0.00 0.00 3.13 -1.51 -0.79 -3.34 116.25 113.06 1lxf h VAL 64 Ca -0.03 -0.46 -0.65 0.00 -1.23 0.00 0.00 66.70 64.33 1lxf h VAL 64 Cb 0.63 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1lxf h VAL 64 CO -0.13 0.00 3.15 0.47 -1.23 0.00 0.00 177.57 179.83 1lxf n ASP 65 N -3.03 5.16 0.08 4.19 9.92 0.79 -4.52 116.55 129.14 1lxf n ASP 65 Ca 0.00 -2.68 -0.12 0.00 -0.53 0.00 0.00 54.79 51.47 1lxf n ASP 65 Cb 0.28 -1.48 -0.07 0.00 -0.64 0.00 0.00 41.12 39.22 1lxf n ASP 65 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1lxf h GLU 66 N 6.06 0.24 0.00 -1.24 5.08 -1.73 -3.25 114.58 119.74 1lxf h GLU 66 Ca 0.63 -0.31 -0.19 0.00 -1.00 0.00 0.00 59.36 58.49 1lxf h GLU 66 Cb 0.49 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1lxf h GLU 66 CO 1.82 1.07 -1.08 0.38 -1.00 0.00 0.00 179.01 180.20 1lxf h ASP 67 N 0.11 0.00 0.00 1.42 2.03 -1.95 -3.48 116.42 114.55 1lxf h ASP 67 Ca -0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1lxf h ASP 67 Cb 1.69 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.19 1lxf h ASP 67 CO 0.16 0.80 0.00 0.61 -1.03 0.00 0.00 179.24 179.78 1lxf n GLY 68 N 1.36 1.08 0.30 7.15 0.00 -1.23 -4.97 105.19 108.89 1lxf n GLY 68 Ca -0.04 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.72 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 0.42 0.00 1.61 4.64 -1.93 -3.46 113.55 114.84 1lxf h SER 69 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1lxf h SER 69 Cb 0.11 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1lxf h SER 69 CO 0.00 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 1lxf n GLY 70 N -1.46 0.38 1.53 -0.77 0.00 -1.26 -5.05 105.19 98.56 1lxf n GLY 70 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.73 0.00 -3.90 2.61 -2.24 -1.26 -4.87 114.28 102.89 1lxf n THR 71 Ca 0.00 -0.95 -0.30 0.00 -2.27 0.00 0.00 64.05 60.53 1lxf n THR 71 Cb 0.00 0.53 -0.15 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.61 1.58 0.00 2.28 1.01 -0.19 -4.66 120.40 117.81 1lxf s VAL 72 Ca 0.15 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.46 1lxf s VAL 72 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1lxf s VAL 72 CO 0.11 -0.46 0.00 -0.90 0.00 0.00 0.00 175.10 173.85 1lxf n ASP 73 N 4.58 -1.59 -0.35 3.32 5.68 -1.26 0.86 116.55 127.80 1lxf n ASP 73 Ca -0.03 -0.05 0.06 0.00 -0.50 0.00 0.00 54.79 54.27 1lxf n ASP 73 Cb 0.43 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.66 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 -2.63 0.20 0.00 2.11 7.35 -1.15 -3.81 117.46 119.54 1lxf n PHE 74 Ca 0.00 -0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 1lxf n PHE 74 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 -0.02 0.00 -0.56 -2.13 8.00 -1.26 -4.47 116.55 116.10 1lxf n ASP 75 Ca 0.11 0.00 0.45 0.00 0.71 0.00 0.00 54.79 56.06 1lxf n ASP 75 Cb 0.19 -0.09 0.76 0.00 -0.02 0.00 0.00 41.12 41.96 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 -1.94 -2.45 114.58 113.09 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 -4.20 0.00 -0.29 2.06 7.35 -1.25 -0.08 117.46 121.06 1lxf n PHE 77 Ca 0.39 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 57.12 1lxf n PHE 77 Cb 1.71 0.00 0.09 0.00 0.35 0.00 0.00 39.48 41.63 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 -0.50 -0.33 -0.07 -2.13 4.77 -0.94 0.10 117.00 117.90 1lxf n LEU 78 Ca 0.00 1.37 -0.07 0.00 -0.03 0.00 0.00 56.01 57.27 1lxf n LEU 78 Cb 0.00 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.69 1lxf n LEU 78 CO 0.00 -1.29 0.85 0.58 -1.33 0.00 0.00 177.39 176.20 1lxf h VAL 79 N 0.00 0.80 -1.04 4.08 2.07 -1.46 0.28 116.25 120.98 1lxf h VAL 79 Ca 0.36 -0.02 0.29 0.00 0.82 0.00 0.00 66.70 68.15 1lxf h VAL 79 Cb 0.56 0.72 -0.13 0.00 -1.52 0.00 0.00 31.29 30.92 1lxf h VAL 79 CO -0.81 0.01 0.62 -0.03 0.02 0.00 0.00 177.57 177.39 1lxf h MET 80 N 0.07 0.40 0.02 1.57 1.85 0.43 0.44 114.93 119.71 1lxf h MET 80 Ca 0.13 -0.02 -0.08 0.00 -0.61 0.00 0.00 59.70 59.11 1lxf h MET 80 Cb 0.17 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.10 1lxf h MET 80 CO -0.22 0.27 -0.40 0.52 -0.40 0.00 0.00 176.91 176.67 1lxf h MET 81 N 0.41 0.03 -0.73 0.39 2.07 -0.98 -3.04 114.93 113.08 1lxf h MET 81 Ca 0.68 -0.06 0.16 0.00 -2.07 0.00 0.00 59.70 58.42 1lxf h MET 81 Cb 1.55 0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 31.26 1lxf h MET 81 CO -0.48 1.03 0.50 0.28 1.07 0.00 0.00 176.91 179.30 1lxf h VAL 82 N -0.92 0.75 0.06 -2.22 2.07 0.65 1.24 116.25 117.88 1lxf h VAL 82 Ca -0.10 -0.10 -0.24 0.00 0.82 0.00 0.00 66.70 67.08 1lxf h VAL 82 Cb 1.15 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1lxf h VAL 82 CO -0.03 0.05 -1.07 0.08 0.02 0.00 0.00 177.57 176.62 1lxf h ARG 83 N 0.30 0.28 0.00 1.57 0.11 -0.28 -3.29 114.38 113.06 1lxf h ARG 83 Ca 0.36 -0.38 -0.02 0.00 0.10 0.00 0.00 59.98 60.04 1lxf h ARG 83 Cb 0.98 0.13 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 1lxf h ARG 83 CO -0.09 1.12 -0.13 0.00 0.10 0.00 0.00 179.97 180.97 1lxf n MET 85 N -4.61 -0.07 -0.84 0.00 2.81 0.41 -1.59 117.12 113.23 1lxf n MET 85 Ca -0.11 1.36 -0.26 0.00 -1.81 0.00 0.00 57.70 56.88 1lxf n MET 85 Cb 0.44 -2.19 -0.02 0.00 -0.71 0.00 0.00 33.22 30.73 1lxf n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1lxf n LYS 86 N -5.31 2.09 -1.91 0.03 4.01 -1.24 -4.46 118.16 111.37 1lxf n LYS 86 Ca 0.23 -1.57 -0.01 0.00 -0.51 0.00 0.00 58.31 56.45 1lxf n LYS 86 Cb 0.77 -2.55 -0.01 0.00 -0.51 0.00 0.00 35.03 32.73 1lxf n LYS 86 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1lxf n ASP 87 N 4.66 -2.41 -4.14 4.39 8.00 -0.68 -4.94 116.55 121.43 1lxf n ASP 87 Ca 0.47 0.49 -0.37 0.00 0.71 0.00 0.00 54.79 56.09 1lxf n ASP 87 Cb 0.18 -2.54 0.04 0.00 -0.02 0.00 0.00 41.12 38.78 1lxf n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1lxf n ASP 88 N 0.48 -4.68 0.00 -2.24 -0.08 -0.62 -4.84 116.55 104.57 1lxf n ASP 88 Ca -0.10 0.38 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1lxf n ASP 88 Cb 0.15 -0.85 0.00 0.00 2.34 0.00 0.00 41.12 42.76 1lxf n ASP 88 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12