#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 -6.12 -0.09 3.17 2.03 -1.26 -4.90 116.55 109.39 1lxf n ASP 2 Ca 0.00 -0.22 -0.16 0.00 0.52 0.00 0.00 54.79 54.93 1lxf n ASP 2 Cb 0.00 -4.98 -0.10 0.00 -0.72 0.00 0.00 41.12 35.32 1lxf n ASP 2 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1lxf h ASP 3 N -1.02 0.00 -0.02 1.67 5.19 -2.07 -3.24 116.42 116.92 1lxf h ASP 3 Ca -0.53 -0.59 0.01 0.00 -0.62 0.00 0.00 57.03 55.31 1lxf h ASP 3 Cb 1.37 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.88 1lxf h ASP 3 CO 0.58 1.21 0.26 0.16 -3.12 0.00 0.00 179.24 178.33 1lxf h ILE 4 N -1.00 0.04 0.00 0.35 3.07 -2.03 0.54 117.51 118.48 1lxf h ILE 4 Ca -0.18 0.00 -0.22 0.00 1.55 0.00 0.00 64.86 66.01 1lxf h ILE 4 Cb 1.05 0.74 -0.03 0.00 -0.27 0.00 0.00 36.82 38.31 1lxf h ILE 4 CO -0.11 0.00 -1.13 1.88 -1.05 0.00 0.00 178.15 177.74 1lxf h TYR 5 N 0.00 0.00 -0.90 0.16 -1.99 -1.96 -3.24 116.97 109.04 1lxf h TYR 5 Ca 0.01 0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.93 1lxf h TYR 5 Cb 0.54 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.16 1lxf h TYR 5 CO 0.00 0.94 0.46 0.87 -0.00 0.00 0.00 178.16 180.43 1lxf h LYS 6 N 0.00 0.55 -0.01 4.88 1.79 0.07 0.94 116.57 124.80 1lxf h LYS 6 Ca -0.08 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1lxf h LYS 6 Cb 1.78 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.31 1lxf h LYS 6 CO 0.11 0.37 -0.01 0.00 -1.08 0.00 0.00 179.45 178.83 1lxf h ALA 7 N 1.63 0.01 -0.28 3.86 0.00 -1.64 0.22 119.26 123.07 1lxf h ALA 7 Ca 0.52 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 55.21 1lxf h ALA 7 Cb 0.86 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1lxf h ALA 7 CO -0.43 -0.18 0.22 0.00 0.00 0.00 0.00 179.25 178.85 1lxf h ALA 8 N 0.41 2.18 0.00 0.00 0.00 -1.25 1.07 119.26 121.68 1lxf h ALA 8 Ca -0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1lxf h ALA 8 Cb 0.61 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1lxf h ALA 8 CO 0.00 -0.36 -1.11 0.28 0.00 0.00 0.00 179.25 178.06 1lxf h VAL 9 N 0.00 0.79 0.00 0.00 2.07 0.10 -3.29 116.25 115.92 1lxf h VAL 9 Ca 0.13 -2.31 -0.13 0.00 0.82 0.00 0.00 66.70 65.22 1lxf h VAL 9 Cb 0.56 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1lxf h VAL 9 CO -0.00 0.45 -0.75 -0.33 0.02 0.00 0.00 177.57 176.96 1lxf h GLU 10 N 0.00 0.00 -0.25 1.57 4.39 0.28 -3.30 114.58 117.28 1lxf h GLU 10 Ca -0.11 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.63 1lxf h GLU 10 Cb 1.59 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.20 1lxf h GLU 10 CO 0.07 0.50 0.02 1.96 -1.16 0.00 0.00 179.01 180.39 1lxf h GLN 11 N 0.00 0.09 -6.05 2.33 4.20 0.93 -3.41 115.11 113.20 1lxf h GLN 11 Ca -0.04 -0.01 -0.68 0.00 0.06 0.00 0.00 58.65 57.99 1lxf h GLN 11 Cb 1.46 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 1lxf h GLN 11 CO 0.07 0.06 1.29 1.28 -0.67 0.00 0.00 178.83 180.86 1lxf n LEU 12 N -5.13 2.35 -4.52 1.46 4.77 -1.24 -4.92 117.00 109.76 1lxf n LEU 12 Ca -0.01 0.60 -0.30 0.00 -0.03 0.00 0.00 56.01 56.27 1lxf n LEU 12 Cb 0.12 -1.26 0.25 0.00 -2.33 0.00 0.00 43.42 40.21 1lxf n LEU 12 CO 0.25 -0.59 0.57 -0.89 -1.33 0.00 0.00 177.39 175.41 1lxf s THR 13 N 6.25 1.50 -0.91 -5.08 2.01 -1.26 -4.77 115.64 113.38 1lxf s THR 13 Ca 1.05 0.00 0.15 0.00 0.31 0.00 0.00 61.69 63.20 1lxf s THR 13 Cb -0.87 -2.38 0.13 0.00 0.01 0.00 0.00 72.50 69.39 1lxf s THR 13 CO 0.52 0.00 1.47 -1.84 -0.69 0.00 0.00 174.62 174.09 1lxf n GLU 14 N -4.99 0.03 0.05 4.92 0.28 -1.26 -2.26 120.64 117.42 1lxf n GLU 14 Ca 0.13 0.30 -0.03 0.00 -0.16 0.00 0.00 57.16 57.40 1lxf n GLU 14 Cb 0.60 -1.56 -0.01 0.00 1.43 0.00 0.00 31.44 31.89 1lxf n GLU 14 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1lxf h GLU 15 N 0.00 -0.19 -0.11 3.44 5.08 -2.00 -2.26 114.58 118.55 1lxf h GLU 15 Ca 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1lxf h GLU 15 Cb 0.25 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1lxf h GLU 15 CO 0.00 -0.12 0.01 -0.56 -1.00 0.00 0.00 179.01 177.34 1lxf h GLN 16 N -0.61 0.15 0.40 2.33 -0.00 -1.91 -2.94 115.11 112.52 1lxf h GLN 16 Ca -0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1lxf h GLN 16 Cb 0.15 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.60 1lxf h GLN 16 CO 0.03 0.15 -0.19 -0.22 -0.00 0.00 0.00 178.83 178.60 1lxf h LYS 17 N 0.15 -0.52 -0.40 0.06 1.63 -1.56 -1.82 116.57 114.11 1lxf h LYS 17 Ca 0.04 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.91 1lxf h LYS 17 Cb 0.08 0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.79 1lxf h LYS 17 CO -0.00 -0.35 -0.23 0.09 -3.45 0.00 0.00 179.45 175.51 1lxf n ASN 18 N -3.78 -0.42 -0.36 4.20 3.02 -0.85 0.24 115.26 117.32 1lxf n ASN 18 Ca -0.07 1.25 0.31 0.00 -0.03 0.00 0.00 54.58 56.05 1lxf n ASN 18 Cb 0.21 -0.36 0.64 0.00 -0.61 0.00 0.00 39.78 39.66 1lxf n ASN 18 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1lxf h GLU 19 N 0.00 0.16 0.29 3.52 -0.00 -1.60 -0.05 114.58 116.90 1lxf h GLU 19 Ca 0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 59.40 1lxf h GLU 19 Cb 0.16 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 28.88 1lxf h GLU 19 CO -0.37 0.11 -0.14 0.35 -0.00 0.00 0.00 179.01 178.96 1lxf h PHE 20 N 0.17 -0.36 -1.17 2.06 3.04 0.41 -3.26 116.94 117.82 1lxf h PHE 20 Ca 0.63 -0.01 0.37 0.00 3.98 0.00 0.00 57.97 62.94 1lxf h PHE 20 Cb 2.07 0.12 -0.12 0.00 2.56 0.00 0.00 35.95 40.57 1lxf h PHE 20 CO -0.00 -0.19 0.74 0.87 -2.02 0.00 0.00 178.31 177.71 1lxf h LYS 21 N -1.09 0.20 -1.00 1.11 1.57 0.27 1.13 116.57 118.76 1lxf h LYS 21 Ca -0.04 -0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.92 1lxf h LYS 21 Cb 0.33 -0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.49 1lxf h LYS 21 CO 0.07 0.13 0.61 0.00 -0.57 0.00 0.00 179.45 179.69 1lxf h ALA 22 N 1.66 1.69 -0.15 3.86 0.00 -1.10 0.39 119.26 125.61 1lxf h ALA 22 Ca 0.74 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.58 1lxf h ALA 22 Cb 2.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1lxf h ALA 22 CO -0.43 -0.06 -0.56 0.00 0.00 0.00 0.00 179.25 178.20 1lxf h ALA 23 N 1.65 0.74 -0.96 0.00 0.00 0.12 -3.00 119.26 117.81 1lxf h ALA 23 Ca 0.58 -0.52 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1lxf h ALA 23 Cb 0.91 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 1lxf h ALA 23 CO -0.38 0.69 0.56 0.74 0.00 0.00 0.00 179.25 180.86 1lxf h PHE 24 N 0.36 0.98 0.00 0.00 0.04 0.09 1.44 116.94 119.85 1lxf h PHE 24 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1lxf h PHE 24 Cb 1.09 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.95 1lxf h PHE 24 CO 0.04 0.23 -0.01 -0.44 -0.60 0.00 0.00 178.31 177.52 1lxf h ASP 25 N 0.73 0.00 0.07 2.17 3.32 -1.28 -0.55 116.42 120.89 1lxf h ASP 25 Ca 0.54 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 57.22 1lxf h ASP 25 Cb 0.80 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 1lxf h ASP 25 CO -0.37 0.01 -2.28 -0.38 -1.72 0.00 0.00 179.24 174.50 1lxf n ILE 26 N -3.39 1.58 0.06 0.35 -0.00 0.40 -1.46 119.36 116.90 1lxf n ILE 26 Ca -0.03 -0.64 -0.11 0.00 -0.00 0.00 0.00 62.75 61.97 1lxf n ILE 26 Cb 0.11 -1.39 -0.04 0.00 -0.00 0.00 0.00 39.64 38.31 1lxf n ILE 26 CO 0.00 0.00 0.00 -0.26 -0.00 0.00 0.00 176.55 176.29 1lxf h PHE 27 N 0.02 -0.52 -0.50 1.39 0.04 0.18 -2.27 116.94 115.29 1lxf h PHE 27 Ca -0.51 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.27 1lxf h PHE 27 Cb 1.98 0.23 0.00 0.00 2.20 0.00 0.00 35.95 40.36 1lxf h PHE 27 CO 0.04 -0.28 0.00 1.33 -0.60 0.00 0.00 178.31 178.80 1lxf n VAL 28 N -5.33 1.92 -1.30 -0.55 0.24 -0.27 -4.33 118.33 108.70 1lxf n VAL 28 Ca -0.05 -1.36 -0.60 0.00 -2.04 0.00 0.00 64.34 60.29 1lxf n VAL 28 Cb 0.24 0.05 -0.12 0.00 -1.47 0.00 0.00 33.84 32.55 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 0.57 0.83 -1.06 1.34 -0.00 -0.53 0.22 117.00 118.36 1lxf n LEU 29 Ca 0.23 0.72 -0.06 0.00 -0.00 0.00 0.00 56.01 56.89 1lxf n LEU 29 Cb 0.85 -0.91 0.01 0.00 -0.00 0.00 0.00 43.42 43.37 1lxf n LEU 29 CO 0.20 -0.77 0.01 0.61 -0.00 0.00 0.00 177.39 177.44 1lxf n GLY 30 N 7.16 0.38 3.97 1.47 0.00 -1.26 -4.98 105.19 111.92 1lxf n GLY 30 Ca 0.52 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.76 3.98 0.07 4.61 0.00 0.60 -5.02 121.76 123.24 1lxf s ALA 31 Ca 0.09 -1.29 -0.17 0.00 0.00 0.00 0.00 51.96 50.60 1lxf s ALA 31 Cb -0.04 -1.97 -0.12 0.00 0.00 0.00 0.00 23.12 20.99 1lxf s ALA 31 CO 0.12 -0.41 1.36 1.49 0.00 0.00 0.00 175.76 178.31 1lxf h GLU 32 N 0.42 0.59 0.00 0.00 4.81 -1.92 -3.45 114.58 115.03 1lxf h GLU 32 Ca -0.44 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.44 1lxf h GLU 32 Cb 1.27 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1lxf h GLU 32 CO 0.53 0.96 0.00 -0.40 -0.73 0.00 0.00 179.01 179.37 1lxf n ASP 33 N -4.31 0.00 -0.72 1.04 5.75 -1.26 -5.06 116.55 112.00 1lxf n ASP 33 Ca -0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.69 1lxf n ASP 33 Cb 0.48 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.54 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 3.36 0.48 3.96 6.12 0.00 -1.26 -5.08 105.19 112.78 1lxf n GLY 34 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.24 3.41 0.34 0.00 1.01 0.15 -4.47 121.20 119.41 1lxf s ILE 36 Ca 0.41 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 60.08 1lxf s ILE 36 Cb -0.09 -2.52 -0.06 0.00 0.01 0.00 0.00 42.46 39.80 1lxf s ILE 36 CO 0.33 0.28 0.06 -0.44 0.00 0.00 0.00 174.94 175.18 1lxf s SER 37 N -1.70 2.52 0.11 3.58 0.01 -1.26 -0.00 113.70 116.96 1lxf s SER 37 Ca 0.18 -1.42 -0.29 0.00 1.31 0.00 0.00 55.95 55.74 1lxf s SER 37 Cb -0.11 -0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.02 1lxf s SER 37 CO 0.09 -0.64 1.61 0.71 0.41 0.00 0.00 173.24 175.42 1lxf h THR 38 N 2.05 0.27 -0.26 1.44 1.35 -1.90 0.56 112.91 116.41 1lxf h THR 38 Ca -0.40 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.36 1lxf h THR 38 Cb 1.25 0.27 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1lxf h THR 38 CO 0.69 0.00 -0.22 0.11 -0.25 0.00 0.00 175.52 175.85 1lxf h LYS 39 N -0.57 0.60 -0.60 4.72 1.57 -1.91 -2.22 116.57 118.16 1lxf h LYS 39 Ca 0.03 -0.30 0.06 0.00 -1.87 0.00 0.00 60.65 58.57 1lxf h LYS 39 Cb 0.61 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 1lxf h LYS 39 CO -0.21 0.90 0.40 0.93 -0.57 0.00 0.00 179.45 180.89 1lxf h GLU 40 N 0.32 0.58 0.27 3.15 3.07 -1.82 -2.82 114.58 117.33 1lxf h GLU 40 Ca 0.05 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1lxf h GLU 40 Cb 0.77 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1lxf h GLU 40 CO 0.06 0.38 -0.13 1.25 -1.40 0.00 0.00 179.01 179.17 1lxf h LEU 41 N 0.60 -0.30 -1.94 1.33 5.85 0.25 -3.18 115.31 117.91 1lxf h LEU 41 Ca 0.26 -0.19 0.53 0.00 0.84 0.00 0.00 57.88 59.32 1lxf h LEU 41 Cb 0.26 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1lxf h LEU 41 CO -0.08 0.19 1.29 1.23 -0.34 0.00 0.00 178.44 180.73 1lxf h GLY 42 N -0.97 0.13 1.00 3.75 0.00 -1.18 1.21 103.07 107.00 1lxf h GLY 42 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1lxf h GLY 42 CO 0.06 -0.04 0.31 1.70 0.00 0.00 0.00 176.54 178.57 1lxf h LYS 43 N 0.01 0.90 0.00 4.80 3.64 -1.48 0.15 116.57 124.59 1lxf h LYS 43 Ca 0.88 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 60.13 1lxf h LYS 43 Cb 3.46 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 35.11 1lxf h LYS 43 CO -0.05 0.71 -0.00 -0.24 -2.27 0.00 0.00 179.45 177.60 1lxf h VAL 44 N 0.86 1.46 -0.30 2.00 3.04 0.14 -3.09 116.25 120.35 1lxf h VAL 44 Ca 0.22 -1.35 0.06 0.00 -1.01 0.00 0.00 66.70 64.62 1lxf h VAL 44 Cb 0.11 2.38 -0.06 0.00 -2.01 0.00 0.00 31.29 31.70 1lxf h VAL 44 CO -0.03 0.35 -0.09 0.24 -1.01 0.00 0.00 177.57 177.04 1lxf h MET 45 N -0.58 -0.01 -0.18 4.17 2.86 -1.35 0.31 114.93 120.15 1lxf h MET 45 Ca -0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1lxf h MET 45 Cb 0.58 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1lxf h MET 45 CO 0.00 -0.01 0.31 0.07 1.06 0.00 0.00 176.91 178.34 1lxf h ARG 46 N -0.01 0.00 0.00 1.72 0.11 -0.13 0.69 114.38 116.76 1lxf h ARG 46 Ca 0.15 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.19 1lxf h ARG 46 Cb 0.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.31 1lxf h ARG 46 CO -0.32 0.00 -0.71 0.52 0.10 0.00 0.00 179.97 179.56 1lxf h MET 47 N 0.00 0.00 0.00 0.08 2.86 -0.35 -3.40 114.93 114.12 1lxf h MET 47 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1lxf h MET 47 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1lxf h MET 47 CO -0.00 0.11 0.00 1.28 1.06 0.00 0.00 176.91 179.36 1lxf n LEU 48 N -2.90 0.31 0.00 1.22 4.77 0.23 -4.98 117.00 115.66 1lxf n LEU 48 Ca -0.00 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1lxf n LEU 48 Cb 0.61 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1lxf n LEU 48 CO 0.39 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1lxf n GLY 49 N 2.01 0.00 3.30 -0.72 0.00 -0.80 -5.11 105.19 103.87 1lxf n GLY 49 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.46 -0.77 1.61 -0.21 -1.11 -5.04 119.66 114.60 1lxf s GLN 50 Ca 0.00 0.61 0.01 0.00 0.02 0.00 0.00 55.36 56.00 1lxf s GLN 50 Cb 0.00 0.19 0.19 0.00 1.00 0.00 0.00 33.01 34.39 1lxf s GLN 50 CO 0.00 -0.07 0.60 1.21 -2.12 0.00 0.00 175.29 174.90 1lxf s ASN 51 N 0.42 5.34 0.79 5.90 3.04 -1.26 -1.77 114.94 127.39 1lxf s ASN 51 Ca -0.02 -3.66 0.00 0.00 0.04 0.00 0.00 52.86 49.23 1lxf s ASN 51 Cb -0.04 -1.78 0.00 0.00 -1.54 0.00 0.00 41.25 37.90 1lxf s ASN 51 CO -0.02 -0.16 0.00 -0.81 -3.04 0.00 0.00 177.10 173.07 1lxf n PRO 52 N 2.33 0.24 -4.47 0.43 -0.04 -1.26 -5.08 135.00 127.15 1lxf n PRO 52 Ca 0.18 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.42 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 -0.68 1.00 -0.32 0.52 -4.23 -1.26 -5.02 115.64 105.65 1lxf s THR 53 Ca 0.00 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.72 1lxf s THR 53 Cb 0.00 -2.65 0.26 0.00 1.34 0.00 0.00 72.50 71.45 1lxf s THR 53 CO 0.00 0.00 1.58 1.55 -0.54 0.00 0.00 174.62 177.21 1lxf h PRO 54 N 2.01 0.00 0.00 3.99 0.13 -1.98 -0.57 132.00 135.59 1lxf h PRO 54 Ca -0.39 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.62 1lxf h PRO 54 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1lxf h PRO 54 CO 0.66 0.15 -1.01 0.93 -0.23 0.00 0.00 178.00 178.51 1lxf h GLU 55 N 0.00 0.00 0.07 0.86 5.08 -1.96 -3.17 114.58 115.46 1lxf h GLU 55 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1lxf h GLU 55 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1lxf h GLU 55 CO 0.02 0.29 -1.67 0.39 -1.00 0.00 0.00 179.01 177.04 1lxf n GLU 56 N -2.96 0.67 -0.26 2.33 1.02 -1.20 -4.21 120.64 116.03 1lxf n GLU 56 Ca -0.04 0.41 -0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1lxf n GLU 56 Cb 0.75 -1.73 0.12 0.00 -0.02 0.00 0.00 31.44 30.56 1lxf n GLU 56 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1lxf h LEU 57 N -0.42 0.63 -1.83 -4.62 3.38 -1.25 -0.80 115.31 110.39 1lxf h LEU 57 Ca -0.39 0.03 0.49 0.00 0.09 0.00 0.00 57.88 58.10 1lxf h LEU 57 Cb 1.70 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 42.27 1lxf h LEU 57 CO -0.05 0.39 1.16 -0.61 0.09 0.00 0.00 178.44 179.43 1lxf h GLN 58 N 0.76 0.02 0.00 1.13 5.75 -1.72 2.21 115.11 123.26 1lxf h GLN 58 Ca 0.33 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1lxf h GLN 58 Cb 0.22 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 1lxf h GLN 58 CO -0.20 0.02 -0.00 1.49 -2.65 0.00 0.00 178.83 177.49 1lxf h GLU 59 N 0.02 0.00 0.08 1.69 4.57 -1.34 -2.57 114.58 117.04 1lxf h GLU 59 Ca 0.84 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 59.02 1lxf h GLU 59 Cb 3.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.77 1lxf h GLU 59 CO -0.12 0.00 -0.04 0.52 -1.18 0.00 0.00 179.01 178.19 1lxf h MET 60 N 0.00 -0.11 -1.09 1.92 2.86 0.35 -3.31 114.93 115.56 1lxf h MET 60 Ca -0.00 0.01 0.43 0.00 -2.06 0.00 0.00 59.70 58.08 1lxf h MET 60 Cb 0.00 0.02 -0.17 0.00 0.06 0.00 0.00 31.60 31.52 1lxf h MET 60 CO 0.00 -0.07 0.62 0.82 1.06 0.00 0.00 176.91 179.34 1lxf h ILE 61 N -0.33 0.01 -0.83 -1.22 5.03 -1.58 0.45 117.51 119.05 1lxf h ILE 61 Ca -0.01 -0.00 0.19 0.00 -0.12 0.00 0.00 64.86 64.91 1lxf h ILE 61 Cb 0.08 -0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 33.72 1lxf h ILE 61 CO 0.02 0.00 -0.09 0.44 -0.68 0.00 0.00 178.15 177.84 1lxf h ASP 62 N 0.01 -0.56 0.51 1.72 5.19 -1.54 1.73 116.42 123.48 1lxf h ASP 62 Ca 0.86 0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 57.48 1lxf h ASP 62 Cb 2.38 0.44 -0.02 0.00 0.18 0.00 0.00 39.33 42.31 1lxf h ASP 62 CO -0.70 -0.25 -0.49 -0.33 -3.12 0.00 0.00 179.24 174.36 1lxf h GLU 63 N 0.04 -0.96 0.00 3.56 5.08 -0.24 -0.98 114.58 121.09 1lxf h GLU 63 Ca 0.44 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1lxf h GLU 63 Cb 0.75 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1lxf h GLU 63 CO -0.79 -0.64 0.00 1.33 -1.00 0.00 0.00 179.01 177.91 1lxf n VAL 64 N -5.56 0.82 -1.77 3.13 0.24 -0.28 -3.47 118.33 111.44 1lxf n VAL 64 Ca -0.12 0.21 -0.33 0.00 -2.04 0.00 0.00 64.34 62.05 1lxf n VAL 64 Cb 0.46 -0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 31.86 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 -1.43 7.05 0.20 -1.34 9.92 0.57 -4.48 116.55 127.05 1lxf n ASP 65 Ca 0.05 -3.39 0.09 0.00 -0.53 0.00 0.00 54.79 51.01 1lxf n ASP 65 Cb 0.16 -1.21 0.18 0.00 -0.64 0.00 0.00 41.12 39.61 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 3.35 0.00 -0.25 -1.24 4.39 -1.68 -3.02 114.58 116.14 1lxf h GLU 66 Ca 0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.20 1lxf h GLU 66 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1lxf h GLU 66 CO 1.13 0.18 0.00 -0.40 -1.16 0.00 0.00 179.01 178.76 1lxf n ASP 67 N -3.16 3.17 -2.73 1.42 5.68 -1.26 -4.95 116.55 114.71 1lxf n ASP 67 Ca 0.03 -1.94 -0.19 0.00 -0.50 0.00 0.00 54.79 52.19 1lxf n ASP 67 Cb 0.58 -0.16 0.04 0.00 -1.14 0.00 0.00 41.12 40.44 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 1.32 -0.30 0.22 6.12 0.00 -1.14 -4.88 105.19 106.53 1lxf n GLY 68 Ca 0.16 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.59 0.00 0.00 1.61 4.64 -1.89 -3.46 113.55 112.86 1lxf h SER 69 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1lxf h SER 69 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1lxf h SER 69 CO 0.47 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 1lxf n GLY 70 N -0.04 2.15 1.41 -0.77 0.00 -1.26 -4.97 105.19 101.71 1lxf n GLY 70 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.90 2.61 -2.24 -1.26 -4.87 114.28 102.62 1lxf n THR 71 Ca 0.00 -0.84 -0.30 0.00 -2.27 0.00 0.00 64.05 60.64 1lxf n THR 71 Cb 0.00 0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 68.57 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 -2.59 2.30 0.38 2.28 1.01 1.00 -4.69 120.40 120.10 1lxf s VAL 72 Ca 0.14 -3.11 -0.05 0.00 0.00 0.00 0.00 61.98 58.96 1lxf s VAL 72 Cb -0.00 -2.61 0.08 0.00 0.00 0.00 0.00 36.38 33.86 1lxf s VAL 72 CO 0.10 -0.81 0.19 -0.90 0.00 0.00 0.00 175.10 173.68 1lxf n ASP 73 N 3.26 -2.02 0.00 3.32 5.68 -1.26 0.31 116.55 125.84 1lxf n ASP 73 Ca 0.06 -0.19 0.13 0.00 -0.50 0.00 0.00 54.79 54.29 1lxf n ASP 73 Cb 0.33 -0.28 0.75 0.00 -1.14 0.00 0.00 41.12 40.78 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 -3.39 0.00 0.00 2.11 7.35 -1.03 -3.23 117.46 119.26 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 -0.12 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 -1.12 0.00 -0.47 -2.13 8.00 -1.26 -4.32 116.55 115.25 1lxf n ASP 75 Ca 0.17 0.00 0.38 0.00 0.71 0.00 0.00 54.79 56.06 1lxf n ASP 75 Cb 0.14 -0.02 0.67 0.00 -0.02 0.00 0.00 41.12 41.90 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 0.08 0.00 -1.24 4.11 -1.92 -2.41 114.58 113.20 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 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1lxf h GLU 76 CO 0.00 0.05 0.00 0.34 0.07 0.00 0.00 179.01 179.47 1lxf n PHE 77 N -4.54 0.00 -0.18 2.06 7.35 -1.20 0.41 117.46 121.36 1lxf n PHE 77 Ca 0.37 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.99 1lxf n PHE 77 Cb 1.47 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 41.24 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 -1.19 -0.95 -2.13 3.38 -1.63 -1.18 115.31 111.60 1lxf h LEU 78 Ca 0.00 0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.23 1lxf h LEU 78 Cb 0.00 0.51 -0.12 0.00 0.09 0.00 0.00 40.66 41.15 1lxf h LEU 78 CO 0.00 -0.17 -0.56 0.52 0.09 0.00 0.00 178.44 178.32 1lxf n VAL 79 N -4.29 -0.64 -0.18 1.22 0.31 -1.08 -1.21 118.33 112.46 1lxf n VAL 79 Ca -0.00 2.30 -0.05 0.00 -0.01 0.00 0.00 64.34 66.59 1lxf n VAL 79 Cb 0.17 -2.85 -0.04 0.00 -0.91 0.00 0.00 33.84 30.21 1lxf n VAL 79 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1lxf n MET 80 N -5.20 -0.18 -0.18 5.55 0.00 0.17 0.05 117.12 117.32 1lxf n MET 80 Ca 0.02 1.01 -0.06 0.00 0.00 0.00 0.00 57.70 58.67 1lxf n MET 80 Cb 0.25 -1.49 -0.00 0.00 0.00 0.00 0.00 33.22 31.98 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 -0.18 -0.32 2.12 2.07 -0.96 0.91 114.93 118.56 1lxf h MET 81 Ca 0.07 0.01 0.09 0.00 -2.07 0.00 0.00 59.70 57.80 1lxf h MET 81 Cb 0.17 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.93 1lxf h MET 81 CO -0.39 -0.12 0.58 0.28 1.07 0.00 0.00 176.91 178.33 1lxf h VAL 82 N -0.19 0.16 0.04 -2.22 2.07 0.16 1.57 116.25 117.84 1lxf h VAL 82 Ca 0.21 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 1lxf h VAL 82 Cb 0.55 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1lxf h VAL 82 CO -0.64 0.00 -0.02 0.03 0.02 0.00 0.00 177.57 176.96 1lxf h ARG 83 N 0.00 -0.05 -0.31 1.57 3.08 0.20 -3.32 114.38 115.55 1lxf h ARG 83 Ca 0.15 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 1lxf h ARG 83 Cb 1.31 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 1lxf h ARG 83 CO -0.00 0.30 -0.30 0.00 -1.07 0.00 0.00 179.97 178.90 1lxf h MET 85 N 0.56 0.03 -2.84 0.00 2.86 0.20 -0.46 114.93 115.28 1lxf h MET 85 Ca 0.07 -0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.27 1lxf h MET 85 Cb 0.80 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 1lxf h MET 85 CO 0.07 0.02 2.24 1.63 1.06 0.00 0.00 176.91 181.92 1lxf n LYS 86 N -5.50 2.66 -1.95 1.72 5.02 -1.17 -4.71 118.16 114.24 1lxf n LYS 86 Ca 0.16 -1.58 0.00 0.00 -2.02 0.00 0.00 58.31 54.87 1lxf n LYS 86 Cb 0.54 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 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 3.41 -7.49 -4.55 4.39 9.92 -0.23 -4.71 116.55 117.28 1lxf n ASP 87 Ca 0.57 1.32 -0.37 0.00 -0.53 0.00 0.00 54.79 55.79 1lxf n ASP 87 Cb 0.38 -4.06 -0.03 0.00 -0.64 0.00 0.00 41.12 36.77 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 1.34 2.37 0.00 -2.24 2.03 -0.89 -4.79 116.55 114.36 1lxf n ASP 88 Ca 0.00 -0.47 0.00 0.00 0.52 0.00 0.00 54.79 54.84 1lxf n ASP 88 Cb 0.00 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 38.82 1lxf n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74