#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 -0.07 7.83 -0.08 -1.26 -5.02 116.55 117.95 1lxf n ASP 2 Ca 0.00 -0.38 0.13 0.00 -1.51 0.00 0.00 54.79 53.03 1lxf n ASP 2 Cb 0.00 0.00 0.43 0.00 2.34 0.00 0.00 41.12 43.89 1lxf n ASP 2 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1lxf n ASP 3 N -0.41 0.49 -0.59 1.67 9.92 -1.26 -4.08 116.55 122.29 1lxf n ASP 3 Ca 0.00 -0.29 0.47 0.00 -0.53 0.00 0.00 54.79 54.44 1lxf n ASP 3 Cb 0.00 0.01 0.78 0.00 -0.64 0.00 0.00 41.12 41.27 1lxf n ASP 3 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1lxf h ILE 4 N 0.34 0.10 0.08 0.53 -2.65 -2.02 0.81 117.51 114.71 1lxf h ILE 4 Ca 0.00 -0.01 -0.12 0.00 1.03 0.00 0.00 64.86 65.76 1lxf h ILE 4 Cb 0.47 0.08 0.01 0.00 -2.05 0.00 0.00 36.82 35.33 1lxf h ILE 4 CO 0.00 0.00 -0.56 1.88 0.03 0.00 0.00 178.15 179.51 1lxf h TYR 5 N 0.01 0.32 -0.92 0.16 -1.99 -2.01 -3.30 116.97 109.24 1lxf h TYR 5 Ca 0.85 -0.23 0.15 0.00 2.00 0.00 0.00 58.73 61.50 1lxf h TYR 5 Cb 3.30 -0.01 -0.15 0.00 2.00 0.00 0.00 36.73 41.86 1lxf h TYR 5 CO -0.00 1.21 -0.37 0.87 -0.00 0.00 0.00 178.16 179.87 1lxf h LYS 6 N -0.62 -0.03 0.01 4.88 1.79 0.39 0.40 116.57 123.39 1lxf h LYS 6 Ca -0.10 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1lxf h LYS 6 Cb 1.40 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 32.00 1lxf h LYS 6 CO 0.08 -0.02 -0.50 0.00 -1.08 0.00 0.00 179.45 177.93 1lxf h ALA 7 N 1.35 -0.86 -0.68 3.86 0.00 -1.57 0.70 119.26 122.05 1lxf h ALA 7 Ca 0.33 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.30 1lxf h ALA 7 Cb 0.60 0.88 -0.09 0.00 0.00 0.00 0.00 17.79 19.18 1lxf h ALA 7 CO -0.93 -1.06 0.23 0.00 0.00 0.00 0.00 179.25 177.48 1lxf h ALA 8 N -0.30 0.90 0.00 0.00 0.00 -0.91 0.89 119.26 119.85 1lxf h ALA 8 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1lxf h ALA 8 Cb 0.71 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1lxf h ALA 8 CO -0.34 -0.24 0.00 0.28 0.00 0.00 0.00 179.25 178.95 1lxf h VAL 9 N 0.38 0.00 0.14 0.00 2.07 0.88 -2.74 116.25 116.97 1lxf h VAL 9 Ca 0.37 -0.33 -0.29 0.00 0.82 0.00 0.00 66.70 67.26 1lxf h VAL 9 Cb 0.54 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1lxf h VAL 9 CO -0.39 0.00 -1.45 -0.33 0.02 0.00 0.00 177.57 175.42 1lxf h GLU 10 N 0.00 0.29 -0.63 1.57 5.08 0.67 -3.35 114.58 118.22 1lxf h GLU 10 Ca 0.00 -0.49 0.13 0.00 -1.00 0.00 0.00 59.36 58.00 1lxf h GLU 10 Cb 0.36 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.69 1lxf h GLU 10 CO 0.00 1.24 0.05 1.96 -1.00 0.00 0.00 179.01 181.26 1lxf h GLN 11 N -0.21 0.16 -5.92 2.33 4.20 0.20 -3.39 115.11 112.49 1lxf h GLN 11 Ca -0.30 -0.01 -0.64 0.00 0.06 0.00 0.00 58.65 57.76 1lxf h GLN 11 Cb 1.84 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.57 1lxf h GLN 11 CO 0.10 0.11 1.46 1.28 -0.67 0.00 0.00 178.83 181.10 1lxf n LEU 12 N -5.23 2.25 -4.81 1.46 4.77 -1.15 -4.91 117.00 109.37 1lxf n LEU 12 Ca 0.10 0.30 -0.31 0.00 -0.03 0.00 0.00 56.01 56.07 1lxf n LEU 12 Cb 0.36 -1.32 0.06 0.00 -2.33 0.00 0.00 43.42 40.19 1lxf n LEU 12 CO 0.12 -0.78 0.71 0.42 -1.33 0.00 0.00 177.39 176.53 1lxf s THR 13 N 7.89 3.87 0.41 -5.08 -4.23 -1.26 -4.66 115.64 112.57 1lxf s THR 13 Ca 1.08 0.61 0.27 0.00 -1.18 0.00 0.00 61.69 62.47 1lxf s THR 13 Cb -0.74 -3.33 0.44 0.00 1.34 0.00 0.00 72.50 70.20 1lxf s THR 13 CO 0.45 -0.79 1.59 1.05 -0.54 0.00 0.00 174.62 176.38 1lxf h GLU 14 N -0.79 0.02 0.00 3.99 4.11 -1.94 -1.13 114.58 118.84 1lxf h GLU 14 Ca -0.44 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1lxf h GLU 14 Cb 1.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1lxf h GLU 14 CO 0.57 0.01 0.00 0.39 0.07 0.00 0.00 179.01 180.05 1lxf n GLU 15 N -4.95 0.00 -0.15 1.06 1.02 -1.26 0.12 120.64 116.48 1lxf n GLU 15 Ca 0.39 0.82 -0.10 0.00 -0.02 0.00 0.00 57.16 58.25 1lxf n GLU 15 Cb 1.43 -1.37 -0.01 0.00 -0.02 0.00 0.00 31.44 31.48 1lxf n GLU 15 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1lxf h GLN 16 N 0.00 0.70 -1.15 3.49 4.15 -1.65 -2.32 115.11 118.33 1lxf h GLN 16 Ca 0.00 -0.18 0.32 0.00 0.77 0.00 0.00 58.65 59.56 1lxf h GLN 16 Cb 0.00 -0.08 -0.09 0.00 0.21 0.00 0.00 27.48 27.52 1lxf h GLN 16 CO 0.00 0.73 0.77 0.87 -1.93 0.00 0.00 178.83 179.27 1lxf h LYS 17 N 0.56 0.21 0.00 1.69 1.79 -0.70 0.16 116.57 120.29 1lxf h LYS 17 Ca 0.13 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1lxf h LYS 17 Cb 0.36 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1lxf h LYS 17 CO 0.01 0.14 0.00 0.09 -1.08 0.00 0.00 179.45 178.61 1lxf n ASN 18 N -4.49 0.00 -0.66 0.86 3.02 0.32 -1.13 115.26 113.17 1lxf n ASN 18 Ca 0.28 0.49 0.50 0.00 -0.03 0.00 0.00 54.58 55.82 1lxf n ASN 18 Cb 1.11 -0.18 0.78 0.00 -0.61 0.00 0.00 39.78 40.87 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 -1.05 -0.00 0.21 3.52 0.28 -0.98 0.89 120.64 123.50 1lxf n GLU 19 Ca 0.00 1.07 -0.12 0.00 -0.16 0.00 0.00 57.16 57.95 1lxf n GLU 19 Cb 0.00 -2.41 -0.07 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 -0.55 -0.62 -1.84 3.04 -0.64 -2.64 116.94 113.69 1lxf h PHE 20 Ca 0.90 -0.01 0.16 0.00 3.98 0.00 0.00 57.97 63.00 1lxf h PHE 20 Cb 3.55 0.18 -0.03 0.00 2.56 0.00 0.00 35.95 42.21 1lxf h PHE 20 CO -0.00 -0.24 0.44 0.87 -2.02 0.00 0.00 178.31 177.36 1lxf h LYS 21 N -1.02 0.10 0.26 1.11 1.57 0.21 0.16 116.57 118.95 1lxf h LYS 21 Ca -0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1lxf h LYS 21 Cb 0.55 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1lxf h LYS 21 CO 0.10 0.07 -0.12 0.00 -0.57 0.00 0.00 179.45 178.92 1lxf h ALA 22 N 1.69 -0.34 0.00 3.86 0.00 -0.97 -0.40 119.26 123.11 1lxf h ALA 22 Ca 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1lxf h ALA 22 Cb 1.04 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1lxf h ALA 22 CO -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 179.25 178.53 1lxf h ALA 23 N 0.38 1.00 0.00 0.00 0.00 -0.66 -0.12 119.26 119.86 1lxf h ALA 23 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1lxf h ALA 23 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1lxf h ALA 23 CO 0.06 0.00 -0.33 0.74 0.00 0.00 0.00 179.25 179.72 1lxf h PHE 24 N 0.00 0.00 -0.23 0.00 0.04 0.37 -1.56 116.94 115.56 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 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1lxf h PHE 24 CO 0.00 0.33 0.00 -0.25 -0.60 0.00 0.00 178.31 177.79 1lxf n ASP 25 N -3.57 1.67 0.00 2.17 8.00 -0.06 -3.78 116.55 120.98 1lxf n ASP 25 Ca -0.00 -2.09 0.00 0.00 0.71 0.00 0.00 54.79 53.40 1lxf n ASP 25 Cb 0.46 -0.28 0.00 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 0.21 0.00 0.32 0.53 2.08 -0.68 -4.10 119.36 117.72 1lxf n ILE 26 Ca 0.08 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.45 1lxf n ILE 26 Cb 0.31 -0.55 0.27 0.00 -0.75 0.00 0.00 39.64 38.91 1lxf n ILE 26 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 1lxf n PHE 27 N -1.93 0.16 -2.29 1.39 -1.74 -0.68 -2.38 117.46 109.99 1lxf n PHE 27 Ca 0.00 0.07 0.02 0.00 -0.56 0.00 0.00 57.45 56.98 1lxf n PHE 27 Cb 0.37 -0.61 0.00 0.00 1.52 0.00 0.00 39.48 40.76 1lxf n PHE 27 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 1lxf n VAL 28 N -1.65 0.00 0.17 1.97 0.24 -1.26 -4.34 118.33 113.46 1lxf n VAL 28 Ca 0.02 -0.59 0.09 0.00 -2.04 0.00 0.00 64.34 61.82 1lxf n VAL 28 Cb 0.12 0.77 0.44 0.00 -1.47 0.00 0.00 33.84 33.70 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 0.29 0.43 0.00 1.34 -0.00 -1.00 -1.24 117.00 116.83 1lxf n LEU 29 Ca 0.01 0.68 0.00 0.00 -0.00 0.00 0.00 56.01 56.70 1lxf n LEU 29 Cb 0.95 -0.72 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 1lxf n LEU 29 CO -0.04 -0.78 0.18 0.61 -0.00 0.00 0.00 177.39 177.36 1lxf n GLY 30 N -1.11 -0.78 2.75 1.47 0.00 -1.26 -5.06 105.19 101.20 1lxf n GLY 30 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.14 -0.98 -0.13 4.61 0.00 -0.37 -5.04 120.51 118.47 1lxf n ALA 31 Ca 0.00 -1.25 -0.20 0.00 0.00 0.00 0.00 53.44 51.99 1lxf n ALA 31 Cb 0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.94 0.64 0.00 0.00 2.13 -1.26 -4.93 120.64 114.27 1lxf n GLU 32 Ca 0.12 0.17 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1lxf n GLU 32 Cb 0.41 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.60 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 -3.44 0.00 -1.02 4.31 5.68 -1.26 -5.03 116.55 115.79 1lxf n ASP 33 Ca -0.47 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 53.77 1lxf n ASP 33 Cb 0.97 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.91 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 3.64 0.39 3.86 6.12 0.00 -1.26 -5.01 105.19 112.93 1lxf n GLY 34 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.61 4.13 0.60 0.00 1.01 -0.14 -4.57 121.20 120.62 1lxf s ILE 36 Ca 0.41 -2.97 -0.18 0.00 0.00 0.00 0.00 60.65 57.91 1lxf s ILE 36 Cb -0.13 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1lxf s ILE 36 CO 0.20 -0.93 1.15 -0.94 0.00 0.00 0.00 174.94 174.42 1lxf s SER 37 N 0.85 5.34 0.25 3.58 1.04 -1.26 -3.80 113.70 119.70 1lxf s SER 37 Ca 0.18 2.20 -0.03 0.00 0.48 0.00 0.00 55.95 58.78 1lxf s SER 37 Cb -0.17 -2.58 0.42 0.00 0.10 0.00 0.00 66.02 63.79 1lxf s SER 37 CO -0.05 -1.48 1.82 0.71 0.98 0.00 0.00 173.24 175.21 1lxf h THR 38 N 0.73 0.92 0.00 2.02 1.35 -1.92 0.35 112.91 116.36 1lxf h THR 38 Ca -0.49 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1lxf h THR 38 Cb 1.27 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1lxf h THR 38 CO 0.55 0.15 -0.09 0.29 -0.25 0.00 0.00 175.52 176.17 1lxf n LYS 39 N -4.72 0.16 -0.04 4.72 5.02 -1.26 -3.92 118.16 118.12 1lxf n LYS 39 Ca 0.14 0.11 -0.02 0.00 -2.02 0.00 0.00 58.31 56.53 1lxf n LYS 39 Cb 0.28 -1.67 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 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 -0.83 1.97 4.22 -0.96 -3.37 114.58 115.61 1lxf h GLU 40 Ca 0.00 0.00 0.34 0.00 0.08 0.00 0.00 59.36 59.78 1lxf h GLU 40 Cb 0.64 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.75 1lxf h GLU 40 CO 0.00 0.00 0.46 -0.11 -2.18 0.00 0.00 179.01 177.18 1lxf n LEU 41 N -3.92 0.28 -0.51 1.64 7.94 0.89 0.17 117.00 123.49 1lxf n LEU 41 Ca -0.03 1.33 0.44 0.00 -1.11 0.00 0.00 56.01 56.64 1lxf n LEU 41 Cb 0.11 -0.65 0.71 0.00 0.53 0.00 0.00 43.42 44.12 1lxf n LEU 41 CO 0.04 -1.49 1.40 1.23 -1.11 0.00 0.00 177.39 177.47 1lxf h GLY 42 N 0.00 0.00 0.61 -3.96 0.00 -1.72 0.14 103.07 98.13 1lxf h GLY 42 Ca 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.99 1lxf h GLY 42 CO -0.61 0.00 -0.29 0.50 0.00 0.00 0.00 176.54 176.14 1lxf h LYS 43 N 0.00 -0.78 0.07 4.80 1.79 0.15 0.14 116.57 122.73 1lxf h LYS 43 Ca 0.76 0.05 0.02 0.00 -2.18 0.00 0.00 60.65 59.30 1lxf h LYS 43 Cb 3.32 0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 34.10 1lxf h LYS 43 CO -0.01 -0.52 -0.45 0.28 -1.08 0.00 0.00 179.45 177.67 1lxf h VAL 44 N -0.91 0.11 -0.99 0.50 2.07 -0.92 0.38 116.25 116.49 1lxf h VAL 44 Ca -0.08 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.67 1lxf h VAL 44 Cb 0.62 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 1lxf h VAL 44 CO 0.14 0.00 0.64 0.24 0.02 0.00 0.00 177.57 178.61 1lxf h MET 45 N -0.65 0.43 -0.43 1.57 2.86 -1.52 0.93 114.93 118.12 1lxf h MET 45 Ca 0.02 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1lxf h MET 45 Cb 0.70 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1lxf h MET 45 CO -0.29 0.28 0.22 -0.09 1.06 0.00 0.00 176.91 178.10 1lxf h ARG 46 N 0.44 0.58 0.03 1.72 2.43 0.12 0.81 114.38 120.51 1lxf h ARG 46 Ca 0.55 -0.06 -0.24 0.00 -0.81 0.00 0.00 59.98 59.42 1lxf h ARG 46 Cb 1.32 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1lxf h ARG 46 CO -0.26 0.44 -1.01 0.52 -1.51 0.00 0.00 179.97 178.15 1lxf h MET 47 N 0.59 0.40 0.00 0.20 2.86 0.17 -3.06 114.93 116.08 1lxf h MET 47 Ca 0.15 -0.47 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1lxf h MET 47 Cb 0.03 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1lxf h MET 47 CO -0.02 1.14 -0.01 -0.07 1.06 0.00 0.00 176.91 179.01 1lxf h LEU 48 N 0.21 0.00 0.00 1.22 4.07 0.03 -3.44 115.31 117.40 1lxf h LEU 48 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1lxf h LEU 48 Cb 1.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.41 1lxf h LEU 48 CO 0.17 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 178.15 1lxf n GLY 49 N -1.12 1.56 3.02 0.83 0.00 -0.86 -5.09 105.19 103.53 1lxf n GLY 49 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.13 1.34 -0.72 1.61 -0.21 0.18 -5.01 119.66 116.73 1lxf s GLN 50 Ca 0.00 -0.37 -0.01 0.00 0.02 0.00 0.00 55.36 55.00 1lxf s GLN 50 Cb 0.00 -1.18 0.18 0.00 1.00 0.00 0.00 33.01 33.01 1lxf s GLN 50 CO 0.00 0.08 0.55 1.21 -2.12 0.00 0.00 175.29 175.00 1lxf s ASN 51 N 0.43 5.36 0.71 5.90 2.47 -1.26 -1.26 114.94 127.28 1lxf s ASN 51 Ca -0.08 -3.28 -0.09 0.00 0.42 0.00 0.00 52.86 49.82 1lxf s ASN 51 Cb -0.12 -1.83 0.04 0.00 -1.45 0.00 0.00 41.25 37.89 1lxf s ASN 51 CO 0.02 -0.26 1.05 -2.16 -3.72 0.00 0.00 177.10 172.03 1lxf s PRO 52 N -0.69 2.46 0.57 0.43 0.04 -1.26 -5.07 135.00 131.47 1lxf s PRO 52 Ca 0.21 0.07 0.08 0.00 0.04 0.00 0.00 61.00 61.41 1lxf s PRO 52 Cb -0.15 -2.10 0.08 0.00 0.04 0.00 0.00 34.50 32.38 1lxf s PRO 52 CO -0.08 -1.17 0.69 0.25 0.04 0.00 0.00 177.00 176.74 1lxf n THR 53 N -2.97 0.00 1.09 1.26 -2.24 -1.26 -4.92 114.28 105.23 1lxf n THR 53 Ca 0.07 -1.98 0.14 0.00 -2.27 0.00 0.00 64.05 60.01 1lxf n THR 53 Cb 0.59 -0.39 0.59 0.00 -2.10 0.00 0.00 70.33 69.02 1lxf n THR 53 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1lxf n PRO 54 N -2.13 0.10 0.05 -0.78 -0.04 -1.26 -2.49 135.00 128.46 1lxf n PRO 54 Ca 0.12 -0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.36 1lxf n PRO 54 Cb 0.60 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.03 0.30 0.00 0.54 4.11 -1.95 -3.31 114.58 114.31 1lxf h GLU 55 Ca 0.00 -0.51 -0.03 0.00 0.07 0.00 0.00 59.36 58.89 1lxf h GLU 55 Cb 0.46 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1lxf h GLU 55 CO 0.00 1.18 -0.18 0.93 0.07 0.00 0.00 179.01 181.01 1lxf h GLU 56 N 0.08 0.00 -0.87 1.06 3.07 -1.97 -3.35 114.58 112.61 1lxf h GLU 56 Ca -0.32 0.00 0.21 0.00 -0.50 0.00 0.00 59.36 58.75 1lxf h GLU 56 Cb 2.06 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 29.81 1lxf h GLU 56 CO 0.15 0.99 -0.01 -0.07 -1.40 0.00 0.00 179.01 178.67 1lxf h LEU 57 N -1.00 -0.45 -0.82 1.33 3.38 -1.68 0.25 115.31 116.31 1lxf h LEU 57 Ca -0.05 0.24 0.15 0.00 0.09 0.00 0.00 57.88 58.31 1lxf h LEU 57 Cb 1.03 0.42 -0.15 0.00 0.09 0.00 0.00 40.66 42.06 1lxf h LEU 57 CO -0.03 -0.26 -0.26 -0.61 0.09 0.00 0.00 178.44 177.37 1lxf h GLN 58 N 0.06 -0.03 -0.82 1.13 5.75 -1.69 1.25 115.11 120.76 1lxf h GLN 58 Ca 0.49 0.00 0.20 0.00 -0.15 0.00 0.00 58.65 59.19 1lxf h GLN 58 Cb 0.91 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.41 1lxf h GLN 58 CO -0.80 -0.02 0.56 1.49 -2.65 0.00 0.00 178.83 177.41 1lxf h GLU 59 N -0.03 0.26 0.00 1.69 4.81 -0.66 0.74 114.58 121.39 1lxf h GLU 59 Ca 0.36 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.49 1lxf h GLU 59 Cb 0.60 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1lxf h GLU 59 CO -0.85 0.17 -0.41 0.52 -0.73 0.00 0.00 179.01 177.71 1lxf h MET 60 N 0.27 0.00 0.02 1.92 2.86 0.16 -3.07 114.93 117.09 1lxf h MET 60 Ca 0.41 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.86 1lxf h MET 60 Cb 1.20 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.88 1lxf h MET 60 CO -0.11 0.41 -0.76 0.82 1.06 0.00 0.00 176.91 178.33 1lxf h ILE 61 N 0.00 1.40 -0.34 -1.22 1.08 0.12 -3.13 117.51 115.41 1lxf h ILE 61 Ca -0.00 -2.19 0.10 0.00 -0.39 0.00 0.00 64.86 62.38 1lxf h ILE 61 Cb 0.87 2.62 -0.01 0.00 -3.07 0.00 0.00 36.82 37.23 1lxf h ILE 61 CO 0.05 0.65 0.59 0.44 -0.69 0.00 0.00 178.15 179.19 1lxf h ASP 62 N -0.00 0.00 0.36 1.72 3.32 -1.05 2.44 116.42 123.21 1lxf h ASP 62 Ca -0.10 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 1lxf h ASP 62 Cb 1.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.01 1lxf h ASP 62 CO 0.15 0.00 -0.38 -0.33 -1.72 0.00 0.00 179.24 176.96 1lxf h GLU 63 N 0.00 0.03 0.00 3.56 4.39 -1.58 -3.32 114.58 117.66 1lxf h GLU 63 Ca 0.16 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.68 1lxf h GLU 63 Cb 1.34 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.96 1lxf h GLU 63 CO -0.00 0.41 -1.64 1.33 -1.16 0.00 0.00 179.01 177.95 1lxf n VAL 64 N -4.08 0.64 -0.86 3.13 0.24 0.43 -4.79 118.33 113.05 1lxf n VAL 64 Ca -0.02 -0.26 -0.43 0.00 -2.04 0.00 0.00 64.34 61.59 1lxf n VAL 64 Cb 0.42 -0.88 -0.09 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.77 1.73 0.08 -1.34 9.92 0.72 -4.46 116.55 120.42 1lxf n ASP 65 Ca -0.19 -2.58 0.12 0.00 -0.53 0.00 0.00 54.79 51.61 1lxf n ASP 65 Cb 0.72 -0.84 0.25 0.00 -0.64 0.00 0.00 41.12 40.62 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 0.28 -0.09 -1.24 1.02 -1.26 -3.45 120.64 123.48 1lxf n GLU 66 Ca 0.48 0.13 0.09 0.00 -0.02 0.00 0.00 57.16 57.84 1lxf n GLU 66 Cb 0.42 -1.73 0.13 0.00 -0.02 0.00 0.00 31.44 30.23 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 -2.17 2.80 -3.26 1.62 5.68 -1.26 -4.97 116.55 115.00 1lxf n ASP 67 Ca 0.04 -1.83 -0.21 0.00 -0.50 0.00 0.00 54.79 52.29 1lxf n ASP 67 Cb 0.44 -0.11 0.07 0.00 -1.14 0.00 0.00 41.12 40.37 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 1.05 -0.38 0.21 6.12 0.00 -1.22 -4.89 105.19 106.08 1lxf n GLY 68 Ca 0.13 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.38 0.00 -0.03 1.61 4.64 -1.93 -3.47 113.55 111.98 1lxf h SER 69 Ca -0.51 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 1lxf h SER 69 Cb 1.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1lxf h SER 69 CO 0.50 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 177.05 1lxf n GLY 70 N 1.11 0.48 3.48 -0.77 0.00 -1.26 -4.99 105.19 103.23 1lxf n GLY 70 Ca 0.04 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.93 0.03 -0.34 2.61 -4.23 -1.26 -4.65 115.64 105.87 1lxf s THR 71 Ca 0.00 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1lxf s THR 71 Cb 0.00 -1.83 0.11 0.00 1.34 0.00 0.00 72.50 72.12 1lxf s THR 71 CO 0.00 -0.15 0.12 -0.69 -0.54 0.00 0.00 174.62 173.36 1lxf s VAL 72 N -3.94 1.17 0.13 2.29 1.01 -1.25 -4.67 120.40 115.15 1lxf s VAL 72 Ca 0.15 -1.77 -0.02 0.00 0.00 0.00 0.00 61.98 60.34 1lxf s VAL 72 Cb 0.00 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1lxf s VAL 72 CO 0.01 -0.72 0.07 -0.90 0.00 0.00 0.00 175.10 173.57 1lxf n ASP 73 N 4.49 -1.93 -0.01 3.32 5.68 -1.26 -0.97 116.55 125.87 1lxf n ASP 73 Ca 0.01 -0.08 0.14 0.00 -0.50 0.00 0.00 54.79 54.36 1lxf n ASP 73 Cb 0.40 -0.09 0.55 0.00 -1.14 0.00 0.00 41.12 40.84 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 -3.12 0.00 0.00 2.11 -0.00 -1.12 -3.65 117.46 111.69 1lxf n PHE 74 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1lxf n PHE 74 Cb 0.05 -0.41 0.00 0.00 -0.00 0.00 0.00 39.48 39.12 1lxf n PHE 74 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1lxf n ASP 75 N -1.45 0.00 -0.42 -2.13 8.00 -1.26 -4.04 116.55 115.25 1lxf n ASP 75 Ca 0.08 0.17 0.35 0.00 0.71 0.00 0.00 54.79 56.10 1lxf n ASP 75 Cb 0.33 -0.21 0.63 0.00 -0.02 0.00 0.00 41.12 41.85 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 0.09 0.00 -1.24 4.11 -1.94 -2.37 114.58 113.23 1lxf h GLU 76 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 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 0.06 0.00 0.34 0.07 0.00 0.00 179.01 179.48 1lxf n PHE 77 N -4.79 0.00 -0.26 2.06 7.35 -1.24 0.37 117.46 120.95 1lxf n PHE 77 Ca 0.37 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.97 1lxf n PHE 77 Cb 1.38 -0.17 -0.08 0.00 0.35 0.00 0.00 39.48 40.97 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 -1.59 -0.33 -2.13 3.38 -1.57 -1.62 115.31 111.45 1lxf h LEU 78 Ca 0.00 0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.24 1lxf h LEU 78 Cb 0.00 0.69 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 1lxf h LEU 78 CO 0.00 -0.21 -0.28 0.58 0.09 0.00 0.00 178.44 178.62 1lxf h VAL 79 N -0.08 0.00 -0.78 1.22 2.07 -1.44 0.46 116.25 117.70 1lxf h VAL 79 Ca 0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.69 1lxf h VAL 79 Cb 0.35 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 1lxf h VAL 79 CO -0.64 0.00 -0.46 0.80 0.02 0.00 0.00 177.57 177.29 1lxf n MET 80 N -4.05 -0.34 -0.11 1.57 0.00 0.16 0.38 117.12 114.72 1lxf n MET 80 Ca -0.00 1.25 -0.06 0.00 -0.00 0.00 0.00 57.70 58.88 1lxf n MET 80 Cb 0.15 -1.84 0.00 0.00 0.00 0.00 0.00 33.22 31.54 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 -0.14 0.00 2.12 2.07 -0.48 0.41 114.93 118.91 1lxf h MET 81 Ca 0.12 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.76 1lxf h MET 81 Cb 0.32 0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.08 1lxf h MET 81 CO -0.73 -0.09 0.25 0.28 1.07 0.00 0.00 176.91 177.69 1lxf h VAL 82 N -0.14 0.00 0.13 -2.22 2.07 0.21 0.34 116.25 116.64 1lxf h VAL 82 Ca 0.19 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.39 1lxf h VAL 82 Cb 0.43 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1lxf h VAL 82 CO -0.46 0.00 -1.56 0.03 0.02 0.00 0.00 177.57 175.60 1lxf h ARG 83 N 0.00 0.28 0.07 1.57 3.08 0.16 -2.89 114.38 116.65 1lxf h ARG 83 Ca 0.00 -0.47 -0.28 0.00 0.07 0.00 0.00 59.98 59.29 1lxf h ARG 83 Cb 0.51 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1lxf h ARG 83 CO 0.00 1.15 -1.46 0.00 -1.07 0.00 0.00 179.97 178.59 1lxf n MET 85 N -3.36 1.46 -0.34 0.00 0.00 0.96 -2.46 117.12 113.37 1lxf n MET 85 Ca -0.13 -0.68 0.00 0.00 0.00 0.00 0.00 57.70 56.89 1lxf n MET 85 Cb 1.02 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 32.80 1lxf n MET 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1lxf n LYS 86 N -0.16 0.00 0.00 3.17 5.02 -1.09 -4.94 118.16 120.16 1lxf n LYS 86 Ca 0.19 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 1lxf n LYS 86 Cb 0.27 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 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 0.00 0.00 -4.55 4.39 8.00 -0.13 -4.93 116.55 119.34 1lxf n ASP 87 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 1lxf n ASP 87 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 1lxf n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1lxf s ASP 88 N 0.00 4.65 0.00 -2.24 2.15 -1.03 -4.37 116.67 115.82 1lxf s ASP 88 Ca 0.00 0.83 0.08 0.00 0.43 0.00 0.00 52.55 53.89 1lxf s ASP 88 Cb 0.00 -2.51 0.06 0.00 -0.30 0.00 0.00 42.92 40.17 1lxf s ASP 88 CO 0.00 -2.78 0.74 -1.20 -0.17 0.00 0.00 175.17 171.77