#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 -0.15 3.17 5.68 -1.26 -4.99 116.55 119.00 1lxf n ASP 2 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.26 1lxf n ASP 2 Cb 0.00 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.03 1lxf n ASP 2 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1lxf h ASP 3 N 0.00 -0.16 -1.17 -1.12 3.32 -2.05 0.51 116.42 115.75 1lxf h ASP 3 Ca 0.00 0.11 0.33 0.00 0.02 0.00 0.00 57.03 57.49 1lxf h ASP 3 Cb 0.00 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.67 1lxf h ASP 3 CO 0.00 -0.05 0.81 0.16 -1.72 0.00 0.00 179.24 178.44 1lxf h ILE 4 N 0.13 0.41 0.04 0.35 -2.65 -2.01 -0.25 117.51 113.53 1lxf h ILE 4 Ca 0.24 -0.04 -0.24 0.00 1.03 0.00 0.00 64.86 65.85 1lxf h ILE 4 Cb 0.35 0.28 -0.02 0.00 -2.05 0.00 0.00 36.82 35.37 1lxf h ILE 4 CO -0.38 0.02 -1.28 1.88 0.03 0.00 0.00 178.15 178.42 1lxf h TYR 5 N 0.12 0.14 -0.68 0.16 0.05 -1.03 -3.29 116.97 112.44 1lxf h TYR 5 Ca 0.60 -0.11 0.06 0.00 0.05 0.00 0.00 58.73 59.34 1lxf h TYR 5 Cb 2.09 -0.01 -0.09 0.00 1.01 0.00 0.00 36.73 39.74 1lxf h TYR 5 CO -0.00 1.50 -0.44 0.87 -1.05 0.00 0.00 178.16 179.04 1lxf h LYS 6 N -0.73 -0.04 -0.73 4.88 1.79 0.16 1.23 116.57 123.12 1lxf h LYS 6 Ca -0.32 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.29 1lxf h LYS 6 Cb 1.46 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 32.02 1lxf h LYS 6 CO -0.11 -0.03 0.27 0.00 -1.08 0.00 0.00 179.45 178.51 1lxf h ALA 7 N 0.05 1.01 -0.70 3.86 0.00 -1.49 1.23 119.26 123.21 1lxf h ALA 7 Ca 0.11 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1lxf h ALA 7 Cb 0.33 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1lxf h ALA 7 CO -0.66 -0.23 0.44 0.00 0.00 0.00 0.00 179.25 178.79 1lxf h ALA 8 N 1.55 0.90 0.00 0.00 0.00 -0.08 1.18 119.26 122.80 1lxf h ALA 8 Ca 0.40 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1lxf h ALA 8 Cb 0.62 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1lxf h ALA 8 CO -0.41 0.35 -0.13 0.28 0.00 0.00 0.00 179.25 179.34 1lxf h VAL 9 N 0.96 0.27 0.01 0.00 2.07 0.36 -2.95 116.25 116.96 1lxf h VAL 9 Ca 0.25 -1.06 -0.26 0.00 0.82 0.00 0.00 66.70 66.46 1lxf h VAL 9 Cb -0.05 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1lxf h VAL 9 CO -0.05 0.13 -1.36 -0.33 0.02 0.00 0.00 177.57 175.97 1lxf h GLU 10 N 0.00 0.02 -0.67 1.57 4.39 0.27 -3.32 114.58 116.85 1lxf h GLU 10 Ca -0.00 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.74 1lxf h GLU 10 Cb 0.85 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.45 1lxf h GLU 10 CO 0.02 0.79 0.33 1.96 -1.16 0.00 0.00 179.01 180.94 1lxf h GLN 11 N 0.01 0.56 -6.53 2.33 4.20 0.15 -3.42 115.11 112.41 1lxf h GLN 11 Ca -0.15 -0.03 -0.60 0.00 0.06 0.00 0.00 58.65 57.93 1lxf h GLN 11 Cb 1.90 -0.13 0.08 0.00 0.30 0.00 0.00 27.48 29.63 1lxf h GLN 11 CO 0.11 0.37 0.55 1.28 -0.67 0.00 0.00 178.83 180.47 1lxf n LEU 12 N -4.87 2.77 -4.88 1.46 4.77 -1.22 -4.96 117.00 110.06 1lxf n LEU 12 Ca 0.09 1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 56.91 1lxf n LEU 12 Cb 0.24 -1.38 -0.04 0.00 -2.33 0.00 0.00 43.42 39.90 1lxf n LEU 12 CO 0.26 -0.65 0.26 0.42 -1.33 0.00 0.00 177.39 176.34 1lxf s THR 13 N -0.03 4.93 0.58 -5.08 -4.23 -1.26 -4.87 115.64 105.68 1lxf s THR 13 Ca 0.70 0.39 0.41 0.00 -1.18 0.00 0.00 61.69 62.00 1lxf s THR 13 Cb -0.70 -3.67 0.60 0.00 1.34 0.00 0.00 72.50 70.07 1lxf s THR 13 CO 0.49 -0.22 1.52 -0.08 -0.54 0.00 0.00 174.62 175.79 1lxf h GLU 14 N 2.07 0.00 0.07 3.99 4.57 -1.95 0.19 114.58 123.51 1lxf h GLU 14 Ca -0.47 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.73 1lxf h GLU 14 Cb 1.18 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.72 1lxf h GLU 14 CO 0.67 0.00 -0.45 0.93 -1.18 0.00 0.00 179.01 178.98 1lxf h GLU 15 N 0.00 -0.62 -0.09 1.92 5.08 -2.01 -1.82 114.58 117.03 1lxf h GLU 15 Ca 0.73 0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 59.00 1lxf h GLU 15 Cb 3.27 0.14 0.01 0.00 0.50 0.00 0.00 28.75 32.67 1lxf h GLU 15 CO -0.01 -0.41 -0.47 0.37 -1.00 0.00 0.00 179.01 177.49 1lxf h GLN 16 N -0.65 0.48 -0.97 2.33 4.15 -1.03 -3.21 115.11 116.22 1lxf h GLN 16 Ca 0.03 -0.39 0.36 0.00 0.77 0.00 0.00 58.65 59.41 1lxf h GLN 16 Cb 0.69 0.08 -0.18 0.00 0.21 0.00 0.00 27.48 28.29 1lxf h GLN 16 CO -0.29 1.02 0.34 1.63 -1.93 0.00 0.00 178.83 179.61 1lxf n LYS 17 N -4.27 -0.06 0.00 1.69 4.76 -0.83 -0.62 118.16 118.82 1lxf n LYS 17 Ca -0.08 1.38 0.00 0.00 -2.87 0.00 0.00 58.31 56.74 1lxf n LYS 17 Cb 0.58 -2.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.41 1lxf n LYS 17 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1lxf n ASN 18 N -5.28 0.00 -0.55 4.39 3.02 -0.71 -2.12 115.26 114.01 1lxf n ASN 18 Ca 0.32 0.77 0.44 0.00 -0.03 0.00 0.00 54.58 56.08 1lxf n ASN 18 Cb 1.07 -0.38 0.71 0.00 -0.61 0.00 0.00 39.78 40.57 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 -1.64 -0.02 0.41 3.52 0.28 -0.61 0.36 120.64 122.95 1lxf n GLU 19 Ca 0.00 1.13 -0.16 0.00 -0.16 0.00 0.00 57.16 57.97 1lxf n GLU 19 Cb 0.00 -2.38 -0.08 0.00 1.43 0.00 0.00 31.44 30.41 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 -0.98 -0.87 -1.84 3.04 -0.74 -2.59 116.94 112.96 1lxf h PHE 20 Ca 0.87 -0.02 0.22 0.00 3.98 0.00 0.00 57.97 63.02 1lxf h PHE 20 Cb 3.10 0.32 -0.05 0.00 2.56 0.00 0.00 35.95 41.88 1lxf h PHE 20 CO -0.00 -0.61 0.60 0.87 -2.02 0.00 0.00 178.31 177.15 1lxf h LYS 21 N -1.16 0.20 0.38 1.11 1.57 0.45 -1.52 116.57 117.60 1lxf h LYS 21 Ca -0.11 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1lxf h LYS 21 Cb 0.81 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1lxf h LYS 21 CO 0.18 0.13 -0.39 0.00 -0.57 0.00 0.00 179.45 178.80 1lxf h ALA 22 N 1.60 -1.06 -0.00 3.86 0.00 -0.85 0.60 119.26 123.40 1lxf h ALA 22 Ca 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1lxf h ALA 22 Cb 1.39 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 19.81 1lxf h ALA 22 CO -0.10 -1.08 0.12 0.00 0.00 0.00 0.00 179.25 178.19 1lxf h ALA 23 N -1.09 1.14 -0.05 0.00 0.00 -0.96 0.37 119.26 118.68 1lxf h ALA 23 Ca -0.05 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1lxf h ALA 23 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1lxf h ALA 23 CO -0.06 -0.13 -0.43 0.35 0.00 0.00 0.00 179.25 178.99 1lxf h PHE 24 N 0.00 0.13 -0.00 0.00 3.04 -0.12 -1.67 116.94 118.33 1lxf h PHE 24 Ca 0.00 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1lxf h PHE 24 Cb 0.25 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1lxf h PHE 24 CO 0.00 0.53 0.00 -0.25 -2.02 0.00 0.00 178.31 176.57 1lxf n ASP 25 N -4.02 0.10 -0.09 0.41 9.92 0.13 -3.15 116.55 119.85 1lxf n ASP 25 Ca -0.02 -1.07 -0.12 0.00 -0.53 0.00 0.00 54.79 53.05 1lxf n ASP 25 Cb 0.47 -0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.87 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 -0.91 1.01 0.21 0.53 2.08 -0.70 -3.44 119.36 118.14 1lxf n ILE 26 Ca 0.23 -0.38 -0.15 0.00 0.56 0.00 0.00 62.75 63.01 1lxf n ILE 26 Cb 0.12 -1.15 -0.08 0.00 -0.75 0.00 0.00 39.64 37.78 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 -0.03 -0.47 -0.78 1.39 0.04 -1.40 -2.91 116.94 112.79 1lxf h PHE 27 Ca -0.39 -0.01 -0.34 0.00 2.80 0.00 0.00 57.97 60.02 1lxf h PHE 27 Cb 1.60 0.15 -0.20 0.00 2.20 0.00 0.00 35.95 39.70 1lxf h PHE 27 CO 0.02 -0.23 0.38 1.33 -0.60 0.00 0.00 178.31 179.21 1lxf n VAL 28 N -5.26 2.98 0.12 -0.55 0.24 -1.19 -4.53 118.33 110.14 1lxf n VAL 28 Ca -0.11 -1.96 0.08 0.00 -2.04 0.00 0.00 64.34 60.31 1lxf n VAL 28 Cb 0.24 -0.40 0.40 0.00 -1.47 0.00 0.00 33.84 32.62 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 -0.78 0.39 -1.89 1.34 -0.00 -1.10 -2.57 117.00 112.38 1lxf n LEU 29 Ca 0.48 0.68 -0.03 0.00 -0.00 0.00 0.00 56.01 57.14 1lxf n LEU 29 Cb 1.45 -0.72 0.03 0.00 -0.00 0.00 0.00 43.42 44.17 1lxf n LEU 29 CO 0.47 -0.80 0.34 0.61 -0.00 0.00 0.00 177.39 178.01 1lxf n GLY 30 N -1.32 1.27 3.96 1.47 0.00 -1.26 -5.01 105.19 104.31 1lxf n GLY 30 Ca -0.01 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.52 3.90 0.02 4.61 0.00 -1.06 -5.03 121.76 123.68 1lxf s ALA 31 Ca 0.13 -1.17 -0.25 0.00 0.00 0.00 0.00 51.96 50.66 1lxf s ALA 31 Cb 0.26 -1.98 -0.18 0.00 0.00 0.00 0.00 23.12 21.21 1lxf s ALA 31 CO -0.08 -0.22 1.42 1.49 0.00 0.00 0.00 175.76 178.37 1lxf h GLU 32 N 0.60 0.01 0.00 0.00 4.57 -1.91 -3.44 114.58 114.41 1lxf h GLU 32 Ca -0.47 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1lxf h GLU 32 Cb 1.25 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1lxf h GLU 32 CO 0.56 0.34 0.00 -0.40 -1.18 0.00 0.00 179.01 178.33 1lxf n ASP 33 N -4.92 0.00 -0.89 1.04 5.68 -1.26 -5.06 116.55 111.14 1lxf n ASP 33 Ca -0.08 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.19 1lxf n ASP 33 Cb 0.18 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.15 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 4.01 -0.09 3.61 6.12 0.00 -1.26 -5.06 105.19 112.52 1lxf n GLY 34 Ca 0.00 -0.01 -0.33 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 -0.92 5.15 0.00 0.00 1.01 0.18 -4.65 121.20 121.98 1lxf s ILE 36 Ca 0.15 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.02 1lxf s ILE 36 Cb -0.11 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1lxf s ILE 36 CO 0.05 0.17 0.00 -1.20 0.00 0.00 0.00 174.94 173.96 1lxf n SER 37 N 0.51 1.17 0.04 3.58 7.64 -1.26 0.30 113.62 125.60 1lxf n SER 37 Ca -0.05 -0.30 -0.20 0.00 1.01 0.00 0.00 58.87 59.32 1lxf n SER 37 Cb 0.52 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.61 1lxf n SER 37 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1lxf h THR 38 N 0.30 1.29 0.00 0.44 1.35 -1.82 -2.88 112.91 111.60 1lxf h THR 38 Ca 0.00 -2.25 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 1lxf h THR 38 Cb 0.00 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1lxf h THR 38 CO 0.00 0.69 -0.60 0.29 -0.25 0.00 0.00 175.52 175.65 1lxf n LYS 39 N -3.88 0.23 0.11 4.72 5.02 -1.26 -3.62 118.16 119.48 1lxf n LYS 39 Ca -0.11 0.06 0.12 0.00 -2.02 0.00 0.00 58.31 56.36 1lxf n LYS 39 Cb 0.88 -1.64 0.18 0.00 -0.02 0.00 0.00 35.03 34.43 1lxf n LYS 39 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1lxf h GLU 40 N 0.00 0.00 0.00 1.97 4.57 -1.92 -3.36 114.58 115.84 1lxf h GLU 40 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1lxf h GLU 40 Cb 0.69 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 1lxf h GLU 40 CO 0.00 0.00 -0.72 1.25 -1.18 0.00 0.00 179.01 178.36 1lxf h LEU 41 N 0.00 0.00 -1.26 1.64 5.85 -1.58 -3.36 115.31 116.60 1lxf h LEU 41 Ca 0.00 -0.54 0.45 0.00 0.84 0.00 0.00 57.88 58.63 1lxf h LEU 41 Cb 0.85 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.74 1lxf h LEU 41 CO 0.00 1.19 0.80 0.61 -0.34 0.00 0.00 178.44 180.69 1lxf n GLY 42 N 1.53 -0.79 0.23 3.75 0.00 -1.24 0.12 105.19 108.79 1lxf n GLY 42 Ca -0.20 0.74 -0.01 0.00 0.00 0.00 0.00 46.02 46.55 1lxf n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1lxf h LYS 43 N 0.00 0.40 0.02 1.61 3.64 -1.72 -1.12 116.57 119.41 1lxf h LYS 43 Ca 0.84 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 60.19 1lxf h LYS 43 Cb 2.63 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 34.36 1lxf h LYS 43 CO -0.49 0.27 -0.01 0.28 -2.27 0.00 0.00 179.45 177.23 1lxf h VAL 44 N 0.42 1.50 -0.81 2.00 2.07 0.72 -3.31 116.25 118.83 1lxf h VAL 44 Ca 0.30 -1.81 0.16 0.00 0.82 0.00 0.00 66.70 66.16 1lxf h VAL 44 Cb 0.35 2.68 -0.15 0.00 -1.52 0.00 0.00 31.29 32.64 1lxf h VAL 44 CO -0.29 0.45 -0.20 0.24 0.02 0.00 0.00 177.57 177.79 1lxf h MET 45 N -0.84 0.00 -0.11 1.57 2.86 -1.18 1.61 114.93 118.84 1lxf h MET 45 Ca -0.00 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1lxf h MET 45 Cb 0.76 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 1lxf h MET 45 CO 0.00 0.00 0.24 0.07 1.06 0.00 0.00 176.91 178.29 1lxf h ARG 46 N 0.00 0.00 -0.18 1.72 -0.00 0.99 0.63 114.38 117.55 1lxf h ARG 46 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.37 1lxf h ARG 46 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.56 1lxf h ARG 46 CO -0.83 0.00 0.00 -1.33 -0.00 0.00 0.00 179.97 177.81 1lxf n MET 47 N -3.33 1.55 -0.14 0.08 2.81 0.55 -3.42 117.12 115.22 1lxf n MET 47 Ca 0.00 -0.84 0.05 0.00 -1.81 0.00 0.00 57.70 55.10 1lxf n MET 47 Cb 0.33 -1.30 0.07 0.00 -0.71 0.00 0.00 33.22 31.62 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 0.11 1.58 -0.05 4.03 4.32 0.22 -4.95 117.00 122.25 1lxf n LEU 48 Ca 0.13 -2.16 -0.01 0.00 -0.02 0.00 0.00 56.01 53.95 1lxf n LEU 48 Cb 0.24 -0.21 -0.00 0.00 -1.62 0.00 0.00 43.42 41.82 1lxf n LEU 48 CO 0.10 0.51 -0.01 0.61 -1.22 0.00 0.00 177.39 177.38 1lxf n GLY 49 N -0.82 0.45 2.88 -0.72 0.00 -1.19 -5.02 105.19 100.77 1lxf n GLY 49 Ca 0.08 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.73 1.39 -0.69 1.61 -0.21 -0.84 -5.01 119.66 114.18 1lxf s GLN 50 Ca 0.00 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 54.94 1lxf s GLN 50 Cb 0.00 -1.89 0.17 0.00 1.00 0.00 0.00 33.01 32.29 1lxf s GLN 50 CO 0.00 -0.40 0.50 1.21 -2.12 0.00 0.00 175.29 174.47 1lxf s ASN 51 N 1.67 5.15 0.58 5.90 2.47 -1.26 0.11 114.94 129.56 1lxf s ASN 51 Ca 0.02 -3.30 0.00 0.00 0.42 0.00 0.00 52.86 50.00 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 -0.08 -0.24 0.00 -0.81 -3.72 0.00 0.00 177.10 172.25 1lxf n PRO 52 N 2.82 0.47 -4.52 0.43 -0.04 -1.26 -5.04 135.00 127.86 1lxf n PRO 52 Ca 0.13 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.35 1lxf n PRO 52 Cb 0.36 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.71 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 -0.48 1.47 -0.63 0.52 -4.23 -1.26 -4.99 115.64 106.04 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 -2.84 0.29 0.00 1.34 0.00 0.00 72.50 71.29 1lxf s THR 53 CO 0.00 0.00 1.76 1.55 -0.54 0.00 0.00 174.62 177.39 1lxf h PRO 54 N 1.95 0.00 0.24 3.99 0.13 -1.96 0.21 132.00 136.56 1lxf h PRO 54 Ca -0.42 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.37 1lxf h PRO 54 Cb 1.25 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.41 1lxf h PRO 54 CO 0.74 0.00 -1.55 0.93 -0.23 0.00 0.00 178.00 177.89 1lxf h GLU 55 N 0.00 0.50 0.00 0.86 5.08 -1.96 -2.93 114.58 116.14 1lxf h GLU 55 Ca 0.00 -0.86 -0.06 0.00 -1.00 0.00 0.00 59.36 57.44 1lxf h GLU 55 Cb 0.69 0.32 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1lxf h GLU 55 CO 0.00 1.41 -1.10 0.93 -1.00 0.00 0.00 179.01 179.25 1lxf h GLU 56 N 0.14 0.00 0.00 2.33 3.07 -1.97 -3.31 114.58 114.84 1lxf h GLU 56 Ca -0.28 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.55 1lxf h GLU 56 Cb 2.15 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 30.06 1lxf h GLU 56 CO 0.25 0.12 -0.15 -0.07 -1.40 0.00 0.00 179.01 177.75 1lxf h LEU 57 N 0.00 0.00 -0.65 1.33 3.38 -0.68 -2.92 115.31 115.77 1lxf h LEU 57 Ca -0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1lxf h LEU 57 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1lxf h LEU 57 CO 0.02 0.15 -0.62 -0.61 0.09 0.00 0.00 178.44 177.48 1lxf h GLN 58 N 0.00 0.00 0.00 1.13 -0.00 -1.59 -2.87 115.11 111.78 1lxf h GLN 58 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.59 1lxf h GLN 58 Cb 0.87 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.34 1lxf h GLN 58 CO 0.02 0.62 -0.30 0.93 0.00 0.00 0.00 178.83 180.10 1lxf h GLU 59 N 0.00 0.00 -0.42 1.69 5.08 -1.65 -1.94 114.58 117.34 1lxf h GLU 59 Ca -0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1lxf h GLU 59 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1lxf h GLU 59 CO 0.08 0.30 -0.15 0.52 -1.00 0.00 0.00 179.01 178.76 1lxf h MET 60 N 0.00 0.77 -0.07 2.33 2.86 -1.56 -3.03 114.93 116.23 1lxf h MET 60 Ca -0.00 -0.28 -0.21 0.00 -2.06 0.00 0.00 59.70 57.15 1lxf h MET 60 Cb 0.64 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.26 1lxf h MET 60 CO 0.04 0.88 -0.76 0.82 1.06 0.00 0.00 176.91 178.95 1lxf h ILE 61 N 0.69 1.32 -0.36 -1.22 5.03 -1.50 -3.02 117.51 118.45 1lxf h ILE 61 Ca 0.11 -2.04 0.11 0.00 -0.12 0.00 0.00 64.86 62.92 1lxf h ILE 61 Cb 0.64 2.26 -0.01 0.00 -3.03 0.00 0.00 36.82 36.68 1lxf h ILE 61 CO 0.05 0.63 0.58 -0.78 -0.68 0.00 0.00 178.15 177.94 1lxf h ASP 62 N 0.29 0.00 1.18 1.72 1.82 -1.25 2.81 116.42 122.99 1lxf h ASP 62 Ca -0.08 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.50 1lxf h ASP 62 Cb 1.42 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.42 1lxf h ASP 62 CO 0.15 0.00 -0.30 -0.33 -1.61 0.00 0.00 179.24 177.16 1lxf h GLU 63 N 0.00 0.00 -0.00 0.28 5.08 -1.46 -3.24 114.58 115.24 1lxf h GLU 63 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1lxf h GLU 63 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1lxf h GLU 63 CO -0.00 0.30 -0.10 1.55 -1.00 0.00 0.00 179.01 179.75 1lxf n VAL 64 N -3.32 0.00 -1.79 3.13 3.14 0.75 -4.78 118.33 115.46 1lxf n VAL 64 Ca 0.01 -0.45 -0.40 0.00 -2.96 0.00 0.00 64.34 60.54 1lxf n VAL 64 Cb 0.53 1.01 -0.01 0.00 -1.06 0.00 0.00 33.84 34.31 1lxf n VAL 64 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1lxf n ASP 65 N -0.89 7.88 0.21 6.55 9.92 0.77 -4.55 116.55 136.44 1lxf n ASP 65 Ca 0.01 -2.94 0.10 0.00 -0.53 0.00 0.00 54.79 51.42 1lxf n ASP 65 Cb 0.04 -1.45 0.37 0.00 -0.64 0.00 0.00 41.12 39.44 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 4.88 0.00 0.00 -1.24 3.07 -1.84 -2.86 114.58 116.58 1lxf h GLU 66 Ca 0.73 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.59 1lxf h GLU 66 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1lxf h GLU 66 CO 1.61 0.23 -1.23 -0.40 -1.40 0.00 0.00 179.01 177.82 1lxf n ASP 67 N -3.30 0.58 -0.02 1.42 5.68 -1.26 -4.97 116.55 114.69 1lxf n ASP 67 Ca 0.01 0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1lxf n ASP 67 Cb 0.49 0.89 0.00 0.00 -1.14 0.00 0.00 41.12 41.36 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 1.26 0.43 0.22 6.12 0.00 -1.08 -4.96 105.19 107.18 1lxf n GLY 68 Ca -0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 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 0.75 0.00 1.61 4.64 -1.93 -3.47 113.55 115.14 1lxf h SER 69 Ca 0.00 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1lxf h SER 69 Cb 0.97 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1lxf h SER 69 CO 0.00 1.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.72 1lxf n GLY 70 N 0.31 0.32 1.79 -0.77 0.00 -1.26 -5.05 105.19 100.53 1lxf n GLY 70 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.65 0.00 -3.67 2.61 -2.24 -1.26 -4.61 114.28 103.45 1lxf n THR 71 Ca 0.00 -1.16 -0.30 0.00 -2.27 0.00 0.00 64.05 60.33 1lxf n THR 71 Cb 0.00 0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 68.72 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 -2.69 0.75 0.34 2.28 1.01 0.15 -4.79 120.40 117.45 1lxf s VAL 72 Ca 0.19 -1.53 -0.05 0.00 0.00 0.00 0.00 61.98 60.59 1lxf s VAL 72 Cb 0.00 -1.57 0.08 0.00 0.00 0.00 0.00 36.38 34.90 1lxf s VAL 72 CO 0.13 -0.75 0.18 -0.90 0.00 0.00 0.00 175.10 173.76 1lxf n ASP 73 N 4.61 -2.18 0.00 3.32 5.68 -1.26 -0.64 116.55 126.07 1lxf n ASP 73 Ca 0.01 -0.18 0.11 0.00 -0.50 0.00 0.00 54.79 54.23 1lxf n ASP 73 Cb 0.40 -0.23 0.68 0.00 -1.14 0.00 0.00 41.12 40.83 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 -3.46 0.00 0.00 2.11 7.35 -0.84 -2.80 117.46 119.82 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 -0.90 0.00 0.28 -2.13 8.00 -1.26 -4.53 116.55 116.01 1lxf n ASP 75 Ca 0.17 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.82 1lxf n ASP 75 Cb 0.08 -0.36 0.80 0.00 -0.02 0.00 0.00 41.12 41.62 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 0.00 0.48 -1.24 4.11 -1.91 -2.61 114.58 113.41 1lxf h GLU 76 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 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 -0.31 0.35 0.07 0.00 0.00 179.01 179.12 1lxf h PHE 77 N 0.00 -0.83 -0.32 2.06 3.57 -1.76 0.57 116.94 120.23 1lxf h PHE 77 Ca 0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1lxf h PHE 77 Cb 0.42 0.30 -0.08 0.00 2.79 0.00 0.00 35.95 39.38 1lxf h PHE 77 CO 0.00 -0.46 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.17 1lxf h LEU 78 N -0.75 -1.26 -0.50 0.59 3.38 -1.70 -1.16 115.31 113.92 1lxf h LEU 78 Ca -0.06 0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1lxf h LEU 78 Cb 0.60 0.55 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1lxf h LEU 78 CO 0.06 -0.37 0.22 0.58 0.09 0.00 0.00 178.44 179.02 1lxf h VAL 79 N -0.35 0.90 -0.95 1.22 2.07 -1.60 -2.03 116.25 115.51 1lxf h VAL 79 Ca 0.13 -0.15 0.25 0.00 0.82 0.00 0.00 66.70 67.75 1lxf h VAL 79 Cb 0.58 0.43 -0.17 0.00 -1.52 0.00 0.00 31.29 30.60 1lxf h VAL 79 CO -0.51 0.08 0.01 -0.03 0.02 0.00 0.00 177.57 177.14 1lxf h MET 80 N 0.43 0.03 0.20 1.57 1.85 0.14 0.31 114.93 119.47 1lxf h MET 80 Ca 0.23 -0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.31 1lxf h MET 80 Cb 0.19 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.21 1lxf h MET 80 CO -0.19 0.02 -0.10 0.52 -0.40 0.00 0.00 176.91 176.76 1lxf h MET 81 N 0.03 -0.26 -1.66 0.39 2.07 -1.09 -3.23 114.93 111.19 1lxf h MET 81 Ca 0.56 0.02 0.51 0.00 -2.07 0.00 0.00 59.70 58.72 1lxf h MET 81 Cb 1.11 0.06 -0.10 0.00 -1.87 0.00 0.00 31.60 30.80 1lxf h MET 81 CO -0.88 -0.17 1.15 0.28 1.07 0.00 0.00 176.91 178.35 1lxf n VAL 82 N -3.58 -0.10 0.00 -2.22 0.31 -0.82 0.15 118.33 112.07 1lxf n VAL 82 Ca -0.03 1.56 0.00 0.00 -0.01 0.00 0.00 64.34 65.86 1lxf n VAL 82 Cb 0.11 -2.59 0.00 0.00 -0.91 0.00 0.00 33.84 30.45 1lxf n VAL 82 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1lxf n ARG 83 N -4.18 0.00 0.00 5.55 1.74 0.10 -2.64 116.66 117.23 1lxf n ARG 83 Ca 0.41 0.30 0.05 0.00 -0.77 0.00 0.00 57.85 57.84 1lxf n ARG 83 Cb 1.76 -1.25 0.23 0.00 -1.02 0.00 0.00 32.46 32.19 1lxf n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lxf h MET 85 N 0.00 0.18 0.00 0.00 2.86 -0.05 -0.58 114.93 117.34 1lxf h MET 85 Ca 0.00 -0.06 -0.19 0.00 -2.06 0.00 0.00 59.70 57.40 1lxf h MET 85 Cb 0.16 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1lxf h MET 85 CO 0.00 0.42 -1.04 0.87 1.06 0.00 0.00 176.91 178.22 1lxf h LYS 86 N 0.17 0.00 -0.86 1.72 1.57 -1.32 -3.44 116.57 114.41 1lxf h LYS 86 Ca 0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1lxf h LYS 86 Cb 0.53 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.64 1lxf h LYS 86 CO 0.04 0.66 -0.37 -0.51 -0.57 0.00 0.00 179.45 178.70 1lxf s ASP 87 N -6.39 -1.35 0.39 0.86 1.01 -0.98 -5.15 116.67 105.05 1lxf s ASP 87 Ca 0.00 -0.45 -0.24 0.00 0.71 0.00 0.00 52.55 52.57 1lxf s ASP 87 Cb 0.09 1.75 -0.09 0.00 1.01 0.00 0.00 42.92 45.68 1lxf s ASP 87 CO 0.80 -0.18 1.03 1.51 0.21 0.00 0.00 175.17 178.54 1lxf s ASP 88 N 2.14 6.86 0.00 0.27 1.47 -0.26 -4.61 116.67 122.53 1lxf s ASP 88 Ca 0.15 1.98 0.00 0.00 1.18 0.00 0.00 52.55 55.86 1lxf s ASP 88 Cb -0.04 -2.58 0.00 0.00 -0.34 0.00 0.00 42.92 39.96 1lxf s ASP 88 CO -0.13 -0.42 0.00 -1.54 0.68 0.00 0.00 175.17 173.76