#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 6.53 0.13 6.12 8.00 -1.26 -4.81 116.55 131.27 1lxf n ASP 2 Ca 0.00 -3.45 -0.06 0.00 0.71 0.00 0.00 54.79 51.99 1lxf n ASP 2 Cb 0.00 -1.25 -0.03 0.00 -0.02 0.00 0.00 41.12 39.82 1lxf n ASP 2 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1lxf h ASP 3 N 5.27 -0.32 -0.70 -2.24 5.19 -2.06 0.17 116.42 121.73 1lxf h ASP 3 Ca 0.24 0.01 0.20 0.00 -0.62 0.00 0.00 57.03 56.86 1lxf h ASP 3 Cb 0.58 0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.14 1lxf h ASP 3 CO 1.32 -0.08 0.73 0.16 -3.12 0.00 0.00 179.24 178.24 1lxf h ILE 4 N -0.69 0.26 0.00 0.35 3.07 -2.03 1.21 117.51 119.69 1lxf h ILE 4 Ca -0.04 0.00 -0.19 0.00 1.55 0.00 0.00 64.86 66.18 1lxf h ILE 4 Cb 0.29 0.43 -0.03 0.00 -0.27 0.00 0.00 36.82 37.24 1lxf h ILE 4 CO 0.06 0.00 -1.40 1.88 -1.05 0.00 0.00 178.15 177.64 1lxf h TYR 5 N 0.00 0.00 -0.69 0.16 0.05 -1.92 -3.31 116.97 111.26 1lxf h TYR 5 Ca 0.33 0.00 0.20 0.00 0.05 0.00 0.00 58.73 59.31 1lxf h TYR 5 Cb 1.78 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.49 1lxf h TYR 5 CO 0.00 0.68 0.49 0.87 -1.05 0.00 0.00 178.16 179.15 1lxf h LYS 6 N 0.00 0.02 0.00 4.88 1.79 0.46 0.46 116.57 124.18 1lxf h LYS 6 Ca -0.17 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.29 1lxf h LYS 6 Cb 1.67 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.31 1lxf h LYS 6 CO 0.06 0.01 -0.05 0.00 -1.08 0.00 0.00 179.45 178.39 1lxf h ALA 7 N 1.66 0.01 0.14 3.86 0.00 -1.64 -3.10 119.26 120.20 1lxf h ALA 7 Ca 0.33 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1lxf h ALA 7 Cb 1.29 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1lxf h ALA 7 CO -0.01 0.03 -0.26 0.00 0.00 0.00 0.00 179.25 179.01 1lxf h ALA 8 N -0.02 -0.46 -0.54 0.00 0.00 -1.31 0.54 119.26 117.46 1lxf h ALA 8 Ca -0.02 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.00 1lxf h ALA 8 Cb 1.01 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1lxf h ALA 8 CO -0.01 -0.81 0.53 0.28 0.00 0.00 0.00 179.25 179.25 1lxf h VAL 9 N -0.49 0.38 0.02 0.00 2.07 -0.28 0.97 116.25 118.92 1lxf h VAL 9 Ca 0.02 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.29 1lxf h VAL 9 Cb 0.50 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1lxf h VAL 9 CO -0.13 0.00 -1.32 -0.33 0.02 0.00 0.00 177.57 175.81 1lxf h GLU 10 N 0.00 0.05 -0.74 1.57 4.39 -0.63 -3.30 114.58 115.92 1lxf h GLU 10 Ca 0.26 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1lxf h GLU 10 Cb 1.32 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.97 1lxf h GLU 10 CO -0.00 0.87 0.45 1.96 -1.16 0.00 0.00 179.01 181.13 1lxf h GLN 11 N 0.01 1.00 -6.15 2.33 1.08 0.58 -3.43 115.11 110.53 1lxf h GLN 11 Ca -0.14 -0.09 -0.74 0.00 -1.45 0.00 0.00 58.65 56.24 1lxf h GLN 11 Cb 1.89 -0.21 0.04 0.00 -0.05 0.00 0.00 27.48 29.15 1lxf h GLN 11 CO 0.12 0.70 0.43 1.28 -0.95 0.00 0.00 178.83 180.41 1lxf n LEU 12 N -4.52 1.24 -4.75 1.46 7.99 -0.67 -4.85 117.00 112.89 1lxf n LEU 12 Ca 0.07 1.13 -0.41 0.00 -0.01 0.00 0.00 56.01 56.79 1lxf n LEU 12 Cb 0.05 -1.07 -0.03 0.00 -0.11 0.00 0.00 43.42 42.26 1lxf n LEU 12 CO 0.37 -1.18 1.02 0.42 -1.51 0.00 0.00 177.39 176.51 1lxf s THR 13 N 1.06 2.92 0.36 -5.08 -4.23 -1.26 -4.78 115.64 104.63 1lxf s THR 13 Ca 0.90 0.80 0.24 0.00 -1.18 0.00 0.00 61.69 62.46 1lxf s THR 13 Cb -1.12 -3.51 0.39 0.00 1.34 0.00 0.00 72.50 69.60 1lxf s THR 13 CO 0.56 0.14 1.40 1.21 -0.54 0.00 0.00 174.62 177.39 1lxf n GLU 14 N 2.09 -0.04 0.10 3.99 2.13 -1.26 -0.36 120.64 127.29 1lxf n GLU 14 Ca 0.05 1.17 -0.05 0.00 0.66 0.00 0.00 57.16 58.99 1lxf n GLU 14 Cb 0.42 -2.21 -0.03 0.00 0.27 0.00 0.00 31.44 29.89 1lxf n GLU 14 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1lxf h GLU 15 N 0.00 -0.33 -0.99 5.31 5.08 -1.96 0.43 114.58 122.12 1lxf h GLU 15 Ca 0.77 0.02 0.35 0.00 -1.00 0.00 0.00 59.36 59.50 1lxf h GLU 15 Cb 2.29 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 31.46 1lxf h GLU 15 CO -0.54 -0.22 0.52 0.37 -1.00 0.00 0.00 179.01 178.14 1lxf h GLN 16 N -1.06 0.19 0.16 2.33 5.75 -1.06 2.16 115.11 123.59 1lxf h GLN 16 Ca -0.04 -0.01 -0.25 0.00 -0.15 0.00 0.00 58.65 58.20 1lxf h GLN 16 Cb 0.26 -0.04 0.02 0.00 1.07 0.00 0.00 27.48 28.79 1lxf h GLN 16 CO 0.06 0.13 -1.17 1.57 -2.65 0.00 0.00 178.83 176.76 1lxf h LYS 17 N 0.20 0.33 0.12 1.69 5.09 -1.05 -3.14 116.57 119.80 1lxf h LYS 17 Ca 0.76 -0.56 0.01 0.00 0.09 0.00 0.00 60.65 60.94 1lxf h LYS 17 Cb 1.81 0.21 -0.01 0.00 0.10 0.00 0.00 32.23 34.33 1lxf h LYS 17 CO -0.68 1.27 -0.13 -0.91 -2.09 0.00 0.00 179.45 176.92 1lxf h ASN 18 N -0.24 -0.34 -0.90 7.07 2.35 0.38 -0.41 115.58 123.50 1lxf h ASN 18 Ca -0.23 0.03 0.23 0.00 -0.55 0.00 0.00 56.30 55.79 1lxf h ASN 18 Cb 1.80 0.12 -0.05 0.00 0.05 0.00 0.00 38.32 40.23 1lxf h ASN 18 CO 0.14 -0.19 0.62 1.05 -1.65 0.00 0.00 177.43 177.40 1lxf h GLU 19 N -0.27 0.21 -0.35 0.81 -0.00 0.32 0.36 114.58 115.65 1lxf h GLU 19 Ca 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1lxf h GLU 19 Cb 0.27 -0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 28.95 1lxf h GLU 19 CO -0.04 0.14 0.22 0.74 -0.00 0.00 0.00 179.01 180.06 1lxf h PHE 20 N 0.21 0.46 -0.81 2.06 0.04 -1.03 -2.60 116.94 115.27 1lxf h PHE 20 Ca 0.46 0.00 0.16 0.00 2.80 0.00 0.00 57.97 61.39 1lxf h PHE 20 Cb 1.44 -0.15 -0.15 0.00 2.20 0.00 0.00 35.95 39.28 1lxf h PHE 20 CO -0.00 0.32 -0.21 0.87 -0.60 0.00 0.00 178.31 178.69 1lxf h LYS 21 N 0.46 -0.00 -0.03 1.51 1.57 0.19 0.44 116.57 120.72 1lxf h LYS 21 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1lxf h LYS 21 Cb -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1lxf h LYS 21 CO -0.02 -0.00 -0.02 0.00 -0.57 0.00 0.00 179.45 178.83 1lxf n ALA 22 N -3.34 -0.02 0.28 3.86 0.00 -0.98 0.27 120.51 120.57 1lxf n ALA 22 Ca 0.12 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.72 1lxf n ALA 22 Cb 0.41 0.42 0.81 0.00 0.00 0.00 0.00 19.45 21.09 1lxf n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lxf h ALA 23 N -0.83 1.34 0.00 0.00 0.00 -1.41 0.28 119.26 118.64 1lxf h ALA 23 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1lxf h ALA 23 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1lxf h ALA 23 CO -0.03 0.09 -0.33 0.35 0.00 0.00 0.00 179.25 179.33 1lxf h PHE 24 N 0.00 0.00 -0.00 0.00 3.04 0.72 -1.25 116.94 119.45 1lxf h PHE 24 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1lxf h PHE 24 Cb 0.22 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1lxf h PHE 24 CO 0.00 0.33 -0.02 -0.25 -2.02 0.00 0.00 178.31 176.36 1lxf n ASP 25 N -3.85 0.13 -0.13 0.41 8.00 0.75 -3.48 116.55 118.38 1lxf n ASP 25 Ca -0.01 -0.62 -0.28 0.00 0.71 0.00 0.00 54.79 54.58 1lxf n ASP 25 Cb 0.41 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.06 1.53 -0.13 0.53 2.08 -0.52 -2.72 119.36 119.08 1lxf n ILE 26 Ca 0.19 -0.37 0.26 0.00 0.56 0.00 0.00 62.75 63.38 1lxf n ILE 26 Cb 0.20 -1.85 0.71 0.00 -0.75 0.00 0.00 39.64 37.95 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 -0.89 0.00 -0.54 1.39 0.04 -1.52 0.07 116.94 115.50 1lxf h PHE 27 Ca -0.66 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 59.72 1lxf h PHE 27 Cb 1.62 -0.00 -0.36 0.00 2.20 0.00 0.00 35.95 39.41 1lxf h PHE 27 CO -0.06 0.00 -0.86 1.33 -0.60 0.00 0.00 178.31 178.13 1lxf n VAL 28 N -4.30 2.08 0.70 -0.55 0.24 -1.23 -4.24 118.33 111.03 1lxf n VAL 28 Ca 0.16 -3.64 0.10 0.00 -2.04 0.00 0.00 64.34 58.92 1lxf n VAL 28 Cb 0.87 -0.36 0.44 0.00 -1.47 0.00 0.00 33.84 33.31 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 -0.68 0.02 0.00 1.34 -0.00 0.01 -3.01 117.00 114.69 1lxf n LEU 29 Ca 0.30 0.50 0.00 0.00 -0.00 0.00 0.00 56.01 56.82 1lxf n LEU 29 Cb 0.90 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1lxf n LEU 29 CO 0.25 -0.15 0.23 0.61 -0.00 0.00 0.00 177.39 178.32 1lxf n GLY 30 N 0.62 -0.64 3.83 1.47 0.00 -1.26 -5.05 105.19 104.16 1lxf n GLY 30 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.18 3.33 0.25 4.61 0.00 -1.16 -4.96 121.76 123.65 1lxf s ALA 31 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.97 1lxf s ALA 31 Cb 0.00 -2.84 0.33 0.00 0.00 0.00 0.00 23.12 20.61 1lxf s ALA 31 CO 0.00 0.31 1.56 1.49 0.00 0.00 0.00 175.76 179.12 1lxf h GLU 32 N 2.78 -0.01 0.00 0.00 4.57 -1.90 -3.41 114.58 116.61 1lxf h GLU 32 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1lxf h GLU 32 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1lxf h GLU 32 CO 0.65 -0.01 0.00 -0.40 -1.18 0.00 0.00 179.01 178.07 1lxf n ASP 33 N -5.54 0.00 -2.75 1.04 5.75 -1.26 -5.03 116.55 108.76 1lxf n ASP 33 Ca 0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.90 1lxf n ASP 33 Cb 0.44 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.61 1lxf n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lxf n GLY 34 N 3.43 1.88 3.68 6.12 0.00 -1.26 -4.93 105.19 114.12 1lxf n GLY 34 Ca 0.00 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 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 1.31 4.84 0.02 0.00 1.01 0.13 -4.63 121.20 123.87 1lxf s ILE 36 Ca 0.25 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 1lxf s ILE 36 Cb -0.15 -4.38 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 1lxf s ILE 36 CO 0.10 -0.94 0.17 -0.44 0.00 0.00 0.00 174.94 173.83 1lxf s SER 37 N 3.06 6.24 0.26 3.58 0.01 -1.26 -1.89 113.70 123.69 1lxf s SER 37 Ca 0.14 0.28 -0.10 0.00 1.31 0.00 0.00 55.95 57.58 1lxf s SER 37 Cb -0.21 -1.92 0.39 0.00 0.21 0.00 0.00 66.02 64.49 1lxf s SER 37 CO 0.10 0.23 1.50 0.35 0.41 0.00 0.00 173.24 175.83 1lxf n THR 38 N 0.76 -0.43 -0.08 1.44 -2.24 -1.26 0.78 114.28 113.25 1lxf n THR 38 Ca -0.09 2.22 -0.07 0.00 -2.27 0.00 0.00 64.05 63.83 1lxf n THR 38 Cb 0.52 -3.03 -0.00 0.00 -2.10 0.00 0.00 70.33 65.72 1lxf n THR 38 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1lxf h LYS 39 N 0.00 0.19 0.67 -0.78 1.57 -1.89 -1.54 116.57 114.80 1lxf h LYS 39 Ca 0.43 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.16 1lxf h LYS 39 Cb 0.67 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.94 1lxf h LYS 39 CO -0.98 0.13 -0.32 0.93 -0.57 0.00 0.00 179.45 178.63 1lxf h GLU 40 N 0.20 -0.87 -1.03 3.15 4.39 0.06 -3.03 114.58 117.44 1lxf h GLU 40 Ca 0.14 0.06 0.36 0.00 0.34 0.00 0.00 59.36 60.25 1lxf h GLU 40 Cb 0.13 0.20 -0.15 0.00 -0.10 0.00 0.00 28.75 28.82 1lxf h GLU 40 CO -0.16 -0.58 0.59 1.25 -1.16 0.00 0.00 179.01 178.95 1lxf h LEU 41 N -1.05 0.44 -2.18 1.33 5.85 -0.27 2.19 115.31 121.62 1lxf h LEU 41 Ca -0.09 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1lxf h LEU 41 Cb 0.69 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1lxf h LEU 41 CO 0.15 -0.22 0.00 1.23 -0.34 0.00 0.00 178.44 179.27 1lxf h GLY 42 N 0.22 0.00 1.82 3.75 0.00 -1.15 0.16 103.07 107.86 1lxf h GLY 42 Ca 0.77 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.95 1lxf h GLY 42 CO -0.63 0.00 -0.81 0.50 0.00 0.00 0.00 176.54 175.61 1lxf h LYS 43 N 0.00 0.00 0.00 4.80 1.79 0.36 -3.17 116.57 120.36 1lxf h LYS 43 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 1lxf h LYS 43 Cb 0.04 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1lxf h LYS 43 CO 0.00 0.60 -0.79 -0.24 -1.08 0.00 0.00 179.45 177.94 1lxf h VAL 44 N 0.00 1.22 -0.69 0.50 3.04 -0.97 -3.35 116.25 116.00 1lxf h VAL 44 Ca -0.04 -2.22 0.14 0.00 -1.01 0.00 0.00 66.70 63.58 1lxf h VAL 44 Cb 1.54 2.60 -0.10 0.00 -2.01 0.00 0.00 31.29 33.32 1lxf h VAL 44 CO 0.08 0.41 0.13 0.24 -1.01 0.00 0.00 177.57 177.42 1lxf h MET 45 N -1.00 0.23 -0.69 4.17 2.86 -1.44 0.57 114.93 119.63 1lxf h MET 45 Ca -0.22 -0.01 0.20 0.00 -2.06 0.00 0.00 59.70 57.60 1lxf h MET 45 Cb 1.18 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 1lxf h MET 45 CO -0.13 0.15 0.49 0.07 1.06 0.00 0.00 176.91 178.55 1lxf h ARG 46 N 0.24 0.02 -0.00 1.72 0.11 0.27 1.33 114.38 118.07 1lxf h ARG 46 Ca 0.38 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 1lxf h ARG 46 Cb 0.62 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.69 1lxf h ARG 46 CO -0.49 0.01 -0.02 -1.33 0.10 0.00 0.00 179.97 178.25 1lxf n MET 47 N -4.34 0.44 -0.00 0.08 2.81 0.20 -3.04 117.12 113.26 1lxf n MET 47 Ca 0.13 -0.02 0.08 0.00 -1.81 0.00 0.00 57.70 56.09 1lxf n MET 47 Cb 0.74 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.63 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 -1.26 0.31 0.00 4.03 4.77 0.45 -4.96 117.00 120.34 1lxf n LEU 48 Ca 0.14 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1lxf n LEU 48 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1lxf n LEU 48 CO 0.23 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1lxf n GLY 49 N 1.47 1.37 2.78 -0.72 0.00 -0.63 -5.11 105.19 104.36 1lxf n GLY 49 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 0.24 -0.59 1.61 -0.21 -0.70 -4.98 119.66 115.04 1lxf s GLN 50 Ca 0.00 0.14 0.04 0.00 0.02 0.00 0.00 55.36 55.56 1lxf s GLN 50 Cb 0.00 -0.52 0.15 0.00 1.00 0.00 0.00 33.01 33.64 1lxf s GLN 50 CO 0.00 -0.19 0.38 1.21 -2.12 0.00 0.00 175.29 174.57 1lxf s ASN 51 N 1.32 4.23 0.78 5.90 3.04 -1.26 0.22 114.94 129.17 1lxf s ASN 51 Ca -0.06 -3.37 -0.09 0.00 0.04 0.00 0.00 52.86 49.38 1lxf s ASN 51 Cb -0.13 -1.45 0.11 0.00 -1.54 0.00 0.00 41.25 38.23 1lxf s ASN 51 CO -0.02 -0.16 1.11 -2.16 -3.04 0.00 0.00 177.10 172.83 1lxf s PRO 52 N -0.74 1.72 0.45 0.43 0.04 -1.26 -5.01 135.00 130.64 1lxf s PRO 52 Ca 0.22 -0.34 0.05 0.00 0.04 0.00 0.00 61.00 60.97 1lxf s PRO 52 Cb -0.13 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.41 1lxf s PRO 52 CO -0.10 -1.60 0.62 0.25 0.04 0.00 0.00 177.00 176.21 1lxf n THR 53 N -3.18 0.00 0.24 1.26 -2.24 -1.26 -4.85 114.28 104.26 1lxf n THR 53 Ca 0.11 -1.31 0.12 0.00 -2.27 0.00 0.00 64.05 60.70 1lxf n THR 53 Cb 0.60 -0.77 0.16 0.00 -2.10 0.00 0.00 70.33 68.22 1lxf n THR 53 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1lxf h PRO 54 N 0.00 0.00 0.00 -0.78 0.13 -1.96 -1.99 132.00 127.40 1lxf h PRO 54 Ca -0.21 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.73 1lxf h PRO 54 Cb 0.89 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 1lxf h PRO 54 CO 0.27 0.00 -1.06 0.93 -0.23 0.00 0.00 178.00 177.91 1lxf h GLU 55 N 0.00 0.00 0.09 0.86 5.08 -1.96 -2.90 114.58 115.75 1lxf h GLU 55 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1lxf h GLU 55 Cb 0.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1lxf h GLU 55 CO 0.00 0.68 -1.46 0.93 -1.00 0.00 0.00 179.01 178.16 1lxf h GLU 56 N 0.00 0.20 -0.45 2.33 3.07 -1.96 -3.37 114.58 114.40 1lxf h GLU 56 Ca -0.08 -0.34 0.01 0.00 -0.50 0.00 0.00 59.36 58.46 1lxf h GLU 56 Cb 1.69 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 29.70 1lxf h GLU 56 CO 0.09 1.16 0.28 -0.07 -1.40 0.00 0.00 179.01 179.07 1lxf h LEU 57 N -0.38 0.46 -0.96 1.33 3.38 -1.50 -2.49 115.31 115.16 1lxf h LEU 57 Ca -0.33 -0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.89 1lxf h LEU 57 Cb 1.71 -0.10 -0.18 0.00 0.09 0.00 0.00 40.66 42.18 1lxf h LEU 57 CO 0.01 0.33 0.01 -0.61 0.09 0.00 0.00 178.44 178.27 1lxf h GLN 58 N 0.56 0.03 -0.99 1.13 5.75 -1.67 2.19 115.11 122.10 1lxf h GLN 58 Ca 0.17 -0.00 0.29 0.00 -0.15 0.00 0.00 58.65 58.96 1lxf h GLN 58 Cb -0.02 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 1lxf h GLN 58 CO -0.06 0.02 0.72 1.49 -2.65 0.00 0.00 178.83 178.34 1lxf h GLU 59 N 0.03 0.00 0.00 1.69 4.81 -1.61 1.98 114.58 121.48 1lxf h GLU 59 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 1lxf h GLU 59 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1lxf h GLU 59 CO -0.89 0.00 -0.19 0.52 -0.73 0.00 0.00 179.01 177.72 1lxf h MET 60 N 0.00 0.00 0.02 1.92 2.86 0.35 -3.26 114.93 116.82 1lxf h MET 60 Ca 0.47 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.82 1lxf h MET 60 Cb 1.90 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.51 1lxf h MET 60 CO -0.00 0.00 -1.62 0.82 1.06 0.00 0.00 176.91 177.16 1lxf h ILE 61 N 0.00 0.97 0.00 -1.22 1.08 0.34 -3.31 117.51 115.37 1lxf h ILE 61 Ca 0.00 -2.78 0.00 0.00 -0.39 0.00 0.00 64.86 61.69 1lxf h ILE 61 Cb 0.87 2.50 0.00 0.00 -3.07 0.00 0.00 36.82 37.13 1lxf h ILE 61 CO 0.00 0.60 0.08 -0.78 -0.69 0.00 0.00 178.15 177.36 1lxf h ASP 62 N 0.01 0.00 0.74 1.72 3.58 -0.83 1.49 116.42 123.13 1lxf h ASP 62 Ca -0.25 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.05 1lxf h ASP 62 Cb 1.98 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 43.01 1lxf h ASP 62 CO 0.09 0.00 -0.71 -0.33 -2.88 0.00 0.00 179.24 175.41 1lxf h GLU 63 N 0.00 0.00 0.00 0.28 5.08 -1.71 -3.32 114.58 114.91 1lxf h GLU 63 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lxf h GLU 63 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1lxf h GLU 63 CO 0.00 0.71 -1.13 1.33 -1.00 0.00 0.00 179.01 178.92 1lxf n VAL 64 N -3.66 0.00 -1.17 3.13 0.24 0.51 -4.71 118.33 112.67 1lxf n VAL 64 Ca -0.01 -0.18 -0.23 0.00 -2.04 0.00 0.00 64.34 61.88 1lxf n VAL 64 Cb 0.70 0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 33.42 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 -1.63 6.68 0.09 -1.34 9.92 0.48 -4.41 116.55 126.35 1lxf n ASP 65 Ca -0.01 -2.57 -0.05 0.00 -0.53 0.00 0.00 54.79 51.63 1lxf n ASP 65 Cb 0.15 -1.46 0.09 0.00 -0.64 0.00 0.00 41.12 39.26 1lxf n ASP 65 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1lxf h GLU 66 N 3.78 0.18 0.00 -1.24 4.57 -1.83 -2.90 114.58 117.13 1lxf h GLU 66 Ca 0.47 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1lxf h GLU 66 Cb 0.99 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1lxf h GLU 66 CO 0.87 0.80 -0.14 0.38 -1.18 0.00 0.00 179.01 179.74 1lxf h ASP 67 N 0.12 0.00 -0.02 1.04 2.03 -1.98 -3.47 116.42 114.15 1lxf h ASP 67 Ca -0.02 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 1lxf h ASP 67 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1lxf h ASP 67 CO 0.10 0.01 0.00 0.61 -1.03 0.00 0.00 179.24 178.94 1lxf n GLY 68 N 1.23 0.60 0.23 7.15 0.00 -1.10 -4.95 105.19 108.36 1lxf n GLY 68 Ca 0.04 -0.77 0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 0.00 1.61 4.64 -1.92 -3.46 113.55 114.42 1lxf h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lxf h SER 69 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1lxf h SER 69 CO 0.00 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 1lxf n GLY 70 N 0.05 2.63 2.60 -0.77 0.00 -1.26 -4.98 105.19 103.47 1lxf n GLY 70 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.92 2.61 -2.24 -1.26 -4.53 114.28 102.94 1lxf n THR 71 Ca 0.00 -1.90 -0.29 0.00 -2.27 0.00 0.00 64.05 59.58 1lxf n THR 71 Cb 0.00 0.80 -0.16 0.00 -2.10 0.00 0.00 70.33 68.87 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 -2.90 1.33 0.01 2.28 1.01 -0.79 -4.68 120.40 116.67 1lxf s VAL 72 Ca 0.23 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 1lxf s VAL 72 Cb 0.01 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1lxf s VAL 72 CO 0.16 0.00 0.01 -0.90 0.00 0.00 0.00 175.10 174.37 1lxf n ASP 73 N 4.77 -0.96 0.00 3.32 5.68 -1.26 0.19 116.55 128.30 1lxf n ASP 73 Ca -0.12 -0.53 0.11 0.00 -0.50 0.00 0.00 54.79 53.75 1lxf n ASP 73 Cb 0.46 -0.01 0.67 0.00 -1.14 0.00 0.00 41.12 41.10 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 -2.50 0.00 0.00 2.11 7.35 -1.23 -3.49 117.46 119.71 1lxf n PHE 74 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1lxf n PHE 74 Cb 0.01 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.84 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 -0.24 -2.13 9.92 -1.26 -4.28 116.55 117.70 1lxf n ASP 75 Ca 0.17 0.00 0.31 0.00 -0.53 0.00 0.00 54.79 54.74 1lxf n ASP 75 Cb 0.08 0.00 0.56 0.00 -0.64 0.00 0.00 41.12 41.12 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 0.00 -1.24 4.11 -1.95 -2.29 114.58 113.21 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 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1lxf h GLU 76 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 179.01 179.42 1lxf n PHE 77 N -3.46 0.00 -0.26 2.06 7.35 -1.23 -1.62 117.46 120.30 1lxf n PHE 77 Ca 0.24 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.86 1lxf n PHE 77 Cb 1.44 -0.13 -0.06 0.00 0.35 0.00 0.00 39.48 41.07 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 -0.90 -0.65 -0.22 -2.13 4.77 -0.87 0.11 117.00 117.11 1lxf n LEU 78 Ca 0.00 1.32 -0.01 0.00 -0.03 0.00 0.00 56.01 57.29 1lxf n LEU 78 Cb 0.00 -0.26 0.05 0.00 -2.33 0.00 0.00 43.42 40.89 1lxf n LEU 78 CO 0.00 -1.00 0.70 0.58 -1.33 0.00 0.00 177.39 176.34 1lxf h VAL 79 N 0.00 0.28 -0.98 4.08 2.07 -1.66 -0.13 116.25 119.91 1lxf h VAL 79 Ca 0.10 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.83 1lxf h VAL 79 Cb 0.25 0.28 -0.19 0.00 -1.52 0.00 0.00 31.29 30.12 1lxf h VAL 79 CO -0.57 0.00 -0.18 0.80 0.02 0.00 0.00 177.57 177.63 1lxf n MET 80 N -5.45 -0.09 0.50 1.57 0.00 0.12 -0.99 117.12 112.78 1lxf n MET 80 Ca 0.07 1.52 -0.20 0.00 0.00 0.00 0.00 57.70 59.10 1lxf n MET 80 Cb 0.35 -2.31 -0.09 0.00 0.00 0.00 0.00 33.22 31.17 1lxf n MET 80 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1lxf h MET 81 N 0.00 -1.23 -1.35 2.12 2.07 -0.80 -2.59 114.93 113.14 1lxf h MET 81 Ca 0.50 0.08 0.40 0.00 -2.07 0.00 0.00 59.70 58.61 1lxf h MET 81 Cb 0.84 0.28 -0.08 0.00 -1.87 0.00 0.00 31.60 30.77 1lxf h MET 81 CO -0.99 -0.82 0.94 0.28 1.07 0.00 0.00 176.91 177.38 1lxf h VAL 82 N -1.30 0.29 0.00 -2.22 2.07 -0.86 0.26 116.25 114.49 1lxf h VAL 82 Ca -0.13 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1lxf h VAL 82 Cb 0.98 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1lxf h VAL 82 CO 0.21 0.02 0.00 0.54 0.02 0.00 0.00 177.57 178.36 1lxf n ARG 83 N -4.32 0.00 -0.10 1.57 1.74 -0.29 -1.84 116.66 113.43 1lxf n ARG 83 Ca 0.32 0.20 -0.07 0.00 -0.77 0.00 0.00 57.85 57.52 1lxf n ARG 83 Cb 1.38 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 31.66 1lxf n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lxf n MET 85 N -4.96 0.00 -0.11 0.00 2.81 0.89 0.28 117.12 116.04 1lxf n MET 85 Ca 0.00 0.83 -0.06 0.00 -1.81 0.00 0.00 57.70 56.66 1lxf n MET 85 Cb 0.09 -1.35 -0.05 0.00 -0.71 0.00 0.00 33.22 31.19 1lxf n MET 85 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1lxf h LYS 86 N 0.00 -0.12 -3.82 0.03 6.56 -1.35 -3.31 116.57 114.56 1lxf h LYS 86 Ca 0.00 0.01 -0.66 0.00 -1.06 0.00 0.00 60.65 58.94 1lxf h LYS 86 Cb 0.00 0.03 -0.39 0.00 -0.57 0.00 0.00 32.23 31.30 1lxf h LYS 86 CO 0.00 -0.08 -0.60 -0.51 -2.06 0.00 0.00 179.45 176.20 1lxf s ASP 87 N -3.92 4.65 -0.67 0.86 1.11 -0.94 -5.05 116.67 112.71 1lxf s ASP 87 Ca -0.06 -2.71 -0.31 0.00 0.18 0.00 0.00 52.55 49.65 1lxf s ASP 87 Cb 0.04 -1.69 -0.15 0.00 1.07 0.00 0.00 42.92 42.20 1lxf s ASP 87 CO 0.29 -0.31 2.47 0.47 1.18 0.00 0.00 175.17 179.27 1lxf n ASP 88 N 3.56 1.35 -0.42 0.27 9.92 0.14 -4.38 116.55 126.99 1lxf n ASP 88 Ca 0.05 0.04 0.14 0.00 -0.53 0.00 0.00 54.79 54.48 1lxf n ASP 88 Cb 0.36 -1.20 0.58 0.00 -0.64 0.00 0.00 41.12 40.21 1lxf n ASP 88 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13