#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxf s ASP 2 N 0.00 6.21 0.15 3.17 1.01 -1.26 -4.85 116.67 121.10 1lxf s ASP 2 Ca 0.00 -1.03 0.24 0.00 0.71 0.00 0.00 52.55 52.47 1lxf s ASP 2 Cb 0.00 -2.36 0.26 0.00 1.01 0.00 0.00 42.92 41.84 1lxf s ASP 2 CO 0.00 -1.19 1.27 0.44 0.21 0.00 0.00 175.17 175.90 1lxf h ASP 3 N 9.28 0.00 -0.00 0.27 3.32 -2.07 -3.32 116.42 123.91 1lxf h ASP 3 Ca -0.28 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1lxf h ASP 3 Cb 1.08 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1lxf h ASP 3 CO 1.09 0.08 0.00 0.16 -1.72 0.00 0.00 179.24 178.86 1lxf h ILE 4 N 0.00 0.05 0.10 0.35 -2.65 -2.03 -1.99 117.51 111.35 1lxf h ILE 4 Ca 0.00 0.00 -0.32 0.00 1.03 0.00 0.00 64.86 65.57 1lxf h ILE 4 Cb 0.81 1.00 -0.02 0.00 -2.05 0.00 0.00 36.82 36.56 1lxf h ILE 4 CO 0.00 0.00 -1.74 1.88 0.03 0.00 0.00 178.15 178.32 1lxf h TYR 5 N 0.00 0.40 -1.32 0.16 -1.99 -1.99 -3.35 116.97 108.87 1lxf h TYR 5 Ca 0.00 -0.29 0.42 0.00 2.00 0.00 0.00 58.73 60.86 1lxf h TYR 5 Cb 0.00 -0.02 -0.12 0.00 2.00 0.00 0.00 36.73 38.60 1lxf h TYR 5 CO 0.00 1.68 0.87 0.87 -0.00 0.00 0.00 178.16 181.58 1lxf h LYS 6 N -0.21 0.11 0.00 4.88 1.79 -1.51 -0.09 116.57 121.54 1lxf h LYS 6 Ca -0.38 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1lxf h LYS 6 Cb 1.85 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.47 1lxf h LYS 6 CO 0.03 0.07 0.00 0.00 -1.08 0.00 0.00 179.45 178.47 1lxf n ALA 7 N -2.56 -0.41 -0.31 3.86 0.00 -1.18 0.24 120.51 120.14 1lxf n ALA 7 Ca 0.36 0.00 0.25 0.00 0.00 0.00 0.00 53.44 54.04 1lxf n ALA 7 Cb 1.39 0.08 0.56 0.00 0.00 0.00 0.00 19.45 21.48 1lxf n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lxf h ALA 8 N -1.84 2.40 0.00 0.00 0.00 -1.35 1.85 119.26 120.32 1lxf h ALA 8 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1lxf h ALA 8 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1lxf h ALA 8 CO 0.00 -0.79 -0.31 0.28 0.00 0.00 0.00 179.25 178.43 1lxf h VAL 9 N 0.31 0.61 0.19 0.00 2.07 -0.58 -3.18 116.25 115.67 1lxf h VAL 9 Ca 0.58 -1.55 -0.35 0.00 0.82 0.00 0.00 66.70 66.20 1lxf h VAL 9 Cb 1.63 2.06 0.01 0.00 -1.52 0.00 0.00 31.29 33.47 1lxf h VAL 9 CO -0.24 0.30 -1.71 -0.33 0.02 0.00 0.00 177.57 175.62 1lxf h GLU 10 N 0.00 0.40 -1.01 1.57 4.39 1.53 -3.31 114.58 118.16 1lxf h GLU 10 Ca -0.00 -0.69 0.23 0.00 0.34 0.00 0.00 59.36 59.24 1lxf h GLU 10 Cb 1.03 0.26 -0.10 0.00 -0.10 0.00 0.00 28.75 29.84 1lxf h GLU 10 CO 0.04 1.32 0.63 1.96 -1.16 0.00 0.00 179.01 181.80 1lxf h GLN 11 N 0.11 0.52 -6.98 2.33 4.20 0.73 -3.40 115.11 112.61 1lxf h GLN 11 Ca -0.33 -0.03 -0.52 0.00 0.06 0.00 0.00 58.65 57.83 1lxf h GLN 11 Cb 2.11 -0.12 0.08 0.00 0.30 0.00 0.00 27.48 29.85 1lxf h GLN 11 CO 0.19 0.34 0.56 -0.51 -0.67 0.00 0.00 178.83 178.74 1lxf s LEU 12 N -9.93 4.08 0.18 1.46 1.43 -1.21 -5.02 118.68 109.68 1lxf s LEU 12 Ca -0.10 2.53 -0.05 0.00 -1.03 0.00 0.00 54.13 55.49 1lxf s LEU 12 Cb 0.25 -4.10 -0.06 0.00 0.03 0.00 0.00 46.19 42.32 1lxf s LEU 12 CO 0.80 -0.99 0.42 -0.89 0.23 0.00 0.00 176.35 175.91 1lxf s THR 13 N -1.38 5.12 0.59 5.49 2.01 -1.26 -4.94 115.64 121.28 1lxf s THR 13 Ca 0.62 0.04 0.32 0.00 0.31 0.00 0.00 61.69 62.98 1lxf s THR 13 Cb -0.35 -3.65 0.46 0.00 0.01 0.00 0.00 72.50 68.98 1lxf s THR 13 CO 0.43 -0.05 1.58 1.05 -0.69 0.00 0.00 174.62 176.94 1lxf h GLU 14 N 2.54 0.00 0.20 4.92 4.11 -1.95 0.15 114.58 124.55 1lxf h GLU 14 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1lxf h GLU 14 Cb 1.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1lxf h GLU 14 CO 0.71 0.00 -0.45 0.93 0.07 0.00 0.00 179.01 180.27 1lxf h GLU 15 N 0.00 -0.69 0.02 1.06 5.08 -2.01 -0.22 114.58 117.83 1lxf h GLU 15 Ca 0.49 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1lxf h GLU 15 Cb 2.46 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.87 1lxf h GLU 15 CO -0.01 -0.46 -0.01 0.37 -1.00 0.00 0.00 179.01 177.91 1lxf h GLN 16 N -0.71 -0.03 -1.00 2.33 4.15 -1.37 -2.94 115.11 115.55 1lxf h GLN 16 Ca -0.02 0.00 0.33 0.00 0.77 0.00 0.00 58.65 59.73 1lxf h GLN 16 Cb 0.68 0.01 -0.18 0.00 0.21 0.00 0.00 27.48 28.19 1lxf h GLN 16 CO -0.19 0.23 0.21 1.63 -1.93 0.00 0.00 178.83 178.77 1lxf n LYS 17 N -4.98 -0.07 0.12 1.69 4.76 -0.95 0.28 118.16 119.00 1lxf n LYS 17 Ca -0.08 1.45 0.17 0.00 -2.87 0.00 0.00 58.31 56.98 1lxf n LYS 17 Cb 0.15 -2.41 0.73 0.00 -1.84 0.00 0.00 35.03 31.66 1lxf n LYS 17 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1lxf h ASN 18 N 0.00 0.00 0.00 4.39 2.35 -0.84 0.31 115.58 121.79 1lxf h ASN 18 Ca 0.69 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.42 1lxf h ASN 18 Cb 1.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.98 1lxf h ASN 18 CO -0.88 0.00 -0.10 1.05 -1.65 0.00 0.00 177.43 175.85 1lxf h GLU 19 N 0.00 0.06 -0.48 0.81 4.11 0.39 -2.90 114.58 116.57 1lxf h GLU 19 Ca 0.15 -0.07 0.04 0.00 0.07 0.00 0.00 59.36 59.55 1lxf h GLU 19 Cb 0.67 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1lxf h GLU 19 CO -0.00 0.88 0.32 0.74 0.07 0.00 0.00 179.01 181.01 1lxf h PHE 20 N -0.73 0.48 -0.07 2.06 0.04 -0.90 -0.12 116.94 117.70 1lxf h PHE 20 Ca -0.01 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 1lxf h PHE 20 Cb 0.91 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 1lxf h PHE 20 CO 0.21 0.27 -0.44 0.87 -0.60 0.00 0.00 178.31 178.63 1lxf h LYS 21 N 0.49 0.16 -0.22 1.51 1.57 -1.01 -2.26 116.57 116.82 1lxf h LYS 21 Ca 0.20 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1lxf h LYS 21 Cb 0.17 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1lxf h LYS 21 CO -0.05 0.57 0.11 0.00 -0.57 0.00 0.00 179.45 179.51 1lxf h ALA 22 N 1.42 0.28 -0.16 3.86 0.00 -0.80 -2.65 119.26 121.21 1lxf h ALA 22 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1lxf h ALA 22 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1lxf h ALA 22 CO 0.06 -0.17 0.06 0.00 0.00 0.00 0.00 179.25 179.21 1lxf h ALA 23 N 0.98 0.21 -0.46 0.00 0.00 -1.36 -1.92 119.26 116.71 1lxf h ALA 23 Ca 0.08 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1lxf h ALA 23 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1lxf h ALA 23 CO -0.01 -0.20 0.59 0.74 0.00 0.00 0.00 179.25 180.37 1lxf h PHE 24 N 0.11 0.00 -0.02 0.00 0.04 -1.26 1.63 116.94 117.44 1lxf h PHE 24 Ca 0.05 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.62 1lxf h PHE 24 Cb 0.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1lxf h PHE 24 CO -0.01 0.00 -0.85 -0.44 -0.60 0.00 0.00 178.31 176.41 1lxf h ASP 25 N 0.00 0.38 0.35 2.17 3.32 -0.98 -2.84 116.42 118.82 1lxf h ASP 25 Ca 0.22 -0.29 -0.32 0.00 0.02 0.00 0.00 57.03 56.66 1lxf h ASP 25 Cb 1.39 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.80 1lxf h ASP 25 CO -0.00 1.07 -1.77 0.40 -1.72 0.00 0.00 179.24 177.22 1lxf h ILE 26 N 0.18 0.84 -0.78 0.35 5.03 0.15 -1.75 117.51 121.53 1lxf h ILE 26 Ca -0.05 -2.60 0.11 0.00 -0.12 0.00 0.00 64.86 62.21 1lxf h ILE 26 Cb 1.46 2.54 -0.08 0.00 -3.03 0.00 0.00 36.82 37.71 1lxf h ILE 26 CO 0.14 0.73 0.40 -0.26 -0.68 0.00 0.00 178.15 178.47 1lxf h PHE 27 N 0.04 0.71 -0.75 1.37 0.04 0.17 -1.72 116.94 116.81 1lxf h PHE 27 Ca -0.32 0.03 -0.55 0.00 2.80 0.00 0.00 57.97 59.93 1lxf h PHE 27 Cb 2.02 -0.20 -0.42 0.00 2.20 0.00 0.00 35.95 39.55 1lxf h PHE 27 CO 0.04 0.23 -0.75 1.33 -0.60 0.00 0.00 178.31 178.57 1lxf n VAL 28 N -4.85 2.57 0.31 -0.55 0.24 -1.07 -4.68 118.33 110.30 1lxf n VAL 28 Ca 0.13 -4.15 0.04 0.00 -2.04 0.00 0.00 64.34 58.32 1lxf n VAL 28 Cb 0.33 -1.13 0.18 0.00 -1.47 0.00 0.00 33.84 31.75 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 -0.72 0.00 -1.55 1.34 -0.00 -0.65 -2.41 117.00 113.01 1lxf n LEU 29 Ca 0.44 0.42 0.00 0.00 -0.00 0.00 0.00 56.01 56.88 1lxf n LEU 29 Cb 0.95 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1lxf n LEU 29 CO 0.41 -0.31 0.17 0.61 -0.00 0.00 0.00 177.39 178.27 1lxf n GLY 30 N -0.65 0.99 3.54 1.47 0.00 -1.26 -5.02 105.19 104.25 1lxf n GLY 30 Ca 0.03 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.38 2.84 0.00 4.61 0.00 -1.01 -5.06 121.76 122.76 1lxf s ALA 31 Ca 0.22 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1lxf s ALA 31 Cb 0.27 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1lxf s ALA 31 CO -0.11 0.60 0.74 0.39 0.00 0.00 0.00 175.76 177.38 1lxf n GLU 32 N 0.63 0.00 0.00 0.00 -0.58 -1.26 -4.60 120.64 114.83 1lxf n GLU 32 Ca -0.14 0.69 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 1lxf n GLU 32 Cb 0.53 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 1lxf n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1lxf n ASP 33 N -1.89 0.00 -2.27 1.62 5.75 -1.26 -4.97 116.55 113.53 1lxf n ASP 33 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 1lxf n ASP 33 Cb 0.00 -0.07 0.05 0.00 -1.03 0.00 0.00 41.12 40.07 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 2.62 1.55 3.69 6.12 0.00 -1.26 -4.97 105.19 112.94 1lxf n GLY 34 Ca 0.00 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1lxf n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lxf n ILE 36 N 4.42 3.82 -0.79 0.00 5.41 0.50 -4.60 119.36 128.12 1lxf n ILE 36 Ca 0.09 -5.34 -0.27 0.00 1.00 0.00 0.00 62.75 58.22 1lxf n ILE 36 Cb 0.49 -2.37 0.24 0.00 -0.71 0.00 0.00 39.64 37.29 1lxf n ILE 36 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1lxf n SER 37 N 2.13 -2.52 -0.03 4.38 7.64 -1.26 -3.39 113.62 120.57 1lxf n SER 37 Ca 0.24 -1.03 -0.14 0.00 1.01 0.00 0.00 58.87 58.95 1lxf n SER 37 Cb 0.37 -0.91 -0.11 0.00 -1.01 0.00 0.00 64.21 62.55 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 -2.85 1.53 0.00 0.44 1.35 -1.90 -1.49 112.91 109.99 1lxf h THR 38 Ca -0.37 -1.66 -0.03 0.00 -0.55 0.00 0.00 66.41 63.80 1lxf h THR 38 Cb 1.16 2.61 -0.00 0.00 -1.73 0.00 0.00 68.15 70.19 1lxf h THR 38 CO 0.24 0.44 -0.12 0.11 -0.25 0.00 0.00 175.52 175.93 1lxf h LYS 39 N -0.59 0.00 0.00 4.72 6.56 -1.91 -1.96 116.57 123.39 1lxf h LYS 39 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1lxf h LYS 39 Cb 0.76 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.42 1lxf h LYS 39 CO 0.01 0.12 -0.57 0.93 -2.06 0.00 0.00 179.45 177.89 1lxf h GLU 40 N 0.00 0.00 -0.01 3.15 3.07 -1.91 -3.35 114.58 115.53 1lxf h GLU 40 Ca -0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 1lxf h GLU 40 Cb 0.47 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.38 1lxf h GLU 40 CO 0.02 0.00 -0.33 1.25 -1.40 0.00 0.00 179.01 178.55 1lxf h LEU 41 N 0.00 0.31 -2.03 1.33 5.85 -0.48 -3.12 115.31 117.17 1lxf h LEU 41 Ca 0.00 -0.74 0.03 0.00 0.84 0.00 0.00 57.88 58.01 1lxf h LEU 41 Cb 0.99 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 1lxf h LEU 41 CO 0.00 1.02 0.34 1.23 -0.34 0.00 0.00 178.44 180.69 1lxf h GLY 42 N -0.36 0.00 1.88 3.75 0.00 -1.63 0.45 103.07 107.16 1lxf h GLY 42 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 1lxf h GLY 42 CO 0.07 0.00 -0.47 0.50 0.00 0.00 0.00 176.54 176.63 1lxf h LYS 43 N 0.00 0.13 0.03 4.80 1.57 -1.68 -1.39 116.57 120.03 1lxf h LYS 43 Ca 0.05 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.56 1lxf h LYS 43 Cb 0.74 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1lxf h LYS 43 CO -0.00 0.58 -1.07 0.28 -0.57 0.00 0.00 179.45 178.67 1lxf h VAL 44 N 0.11 1.11 -0.27 0.50 2.07 -0.25 -3.36 116.25 116.16 1lxf h VAL 44 Ca 0.00 -2.28 0.03 0.00 0.82 0.00 0.00 66.70 65.28 1lxf h VAL 44 Cb 0.88 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 33.22 1lxf h VAL 44 CO 0.07 0.50 0.08 0.24 0.02 0.00 0.00 177.57 178.47 1lxf h MET 45 N -0.78 0.19 -0.16 1.57 2.86 -1.40 -0.27 114.93 116.94 1lxf h MET 45 Ca -0.27 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.41 1lxf h MET 45 Cb 1.39 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 1lxf h MET 45 CO -0.09 0.12 0.50 0.07 1.06 0.00 0.00 176.91 178.57 1lxf h ARG 46 N 0.19 0.00 0.00 1.72 -0.00 0.13 1.46 114.38 117.89 1lxf h ARG 46 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.10 1lxf h ARG 46 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.08 1lxf h ARG 46 CO -0.14 0.00 -0.72 0.52 -0.00 0.00 0.00 179.97 179.63 1lxf h MET 47 N 0.00 0.00 0.00 0.08 2.86 -1.19 -3.30 114.93 113.38 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 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1lxf h MET 47 CO -0.00 0.00 -0.68 -0.07 1.06 0.00 0.00 176.91 177.22 1lxf h LEU 48 N 0.00 0.00 0.00 1.22 4.07 0.22 -3.47 115.31 117.35 1lxf h LEU 48 Ca 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1lxf h LEU 48 Cb 0.86 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.60 1lxf h LEU 48 CO 0.00 0.05 0.00 0.61 -1.08 0.00 0.00 178.44 178.02 1lxf n GLY 49 N 1.26 0.79 2.89 0.83 0.00 -0.90 -5.12 105.19 104.94 1lxf n GLY 49 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 0.73 -0.58 1.61 -1.52 -1.00 -5.00 119.66 113.90 1lxf s GLN 50 Ca 0.00 -0.09 0.01 0.00 -1.95 0.00 0.00 55.36 53.34 1lxf s GLN 50 Cb 0.00 -0.75 0.15 0.00 -0.22 0.00 0.00 33.01 32.18 1lxf s GLN 50 CO 0.00 -0.07 0.35 1.21 -0.25 0.00 0.00 175.29 176.53 1lxf s ASN 51 N 0.85 4.74 0.77 5.90 2.47 -1.26 0.61 114.94 129.01 1lxf s ASN 51 Ca -0.11 -3.00 -0.12 0.00 0.42 0.00 0.00 52.86 50.05 1lxf s ASN 51 Cb -0.14 -1.73 0.06 0.00 -1.45 0.00 0.00 41.25 37.98 1lxf s ASN 51 CO 0.00 -0.28 1.14 -2.16 -3.72 0.00 0.00 177.10 172.08 1lxf s PRO 52 N -0.28 2.28 0.64 0.43 0.04 -1.26 -4.99 135.00 131.86 1lxf s PRO 52 Ca 0.18 0.21 0.04 0.00 0.04 0.00 0.00 61.00 61.46 1lxf s PRO 52 Cb -0.23 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.43 1lxf s PRO 52 CO -0.02 -1.39 0.88 0.95 0.04 0.00 0.00 177.00 177.46 1lxf s THR 53 N -3.49 2.21 -0.34 1.26 -4.23 -1.26 -4.75 115.64 105.04 1lxf s THR 53 Ca 0.61 -0.78 0.21 0.00 -1.18 0.00 0.00 61.69 60.55 1lxf s THR 53 Cb -0.11 -2.43 0.27 0.00 1.34 0.00 0.00 72.50 71.57 1lxf s THR 53 CO 0.50 0.00 1.58 1.55 -0.54 0.00 0.00 174.62 177.71 1lxf h PRO 54 N -0.17 0.00 0.00 3.99 0.13 -1.97 -1.59 132.00 132.39 1lxf h PRO 54 Ca -0.34 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.60 1lxf h PRO 54 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1lxf h PRO 54 CO 0.41 0.13 -1.19 0.93 -0.23 0.00 0.00 178.00 178.05 1lxf h GLU 55 N 0.00 0.00 0.15 0.86 5.08 -1.95 -3.01 114.58 115.71 1lxf h GLU 55 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1lxf h GLU 55 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1lxf h GLU 55 CO 0.02 0.54 -1.59 0.93 -1.00 0.00 0.00 179.01 177.91 1lxf h GLU 56 N 0.00 0.33 -0.68 2.33 4.39 -1.95 -3.36 114.58 115.64 1lxf h GLU 56 Ca -0.12 -0.56 -0.03 0.00 0.34 0.00 0.00 59.36 58.99 1lxf h GLU 56 Cb 1.68 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 30.51 1lxf h GLU 56 CO 0.08 1.27 0.31 -0.07 -1.16 0.00 0.00 179.01 179.43 1lxf h LEU 57 N -0.08 0.91 -0.94 1.33 3.38 -1.43 -2.73 115.31 115.74 1lxf h LEU 57 Ca -0.32 -0.15 0.29 0.00 0.09 0.00 0.00 57.88 57.79 1lxf h LEU 57 Cb 1.94 -0.23 -0.17 0.00 0.09 0.00 0.00 40.66 42.28 1lxf h LEU 57 CO 0.12 0.80 0.14 1.67 0.09 0.00 0.00 178.44 181.26 1lxf n GLN 58 N -4.43 -0.07 -0.25 1.13 -0.06 -1.14 0.25 117.38 112.82 1lxf n GLN 58 Ca 0.05 1.38 0.00 0.00 -2.00 0.00 0.00 57.00 56.43 1lxf n GLN 58 Cb 0.15 -2.25 0.12 0.00 -4.06 0.00 0.00 30.24 24.20 1lxf n GLN 58 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1lxf h GLU 59 N 0.00 0.65 0.00 3.69 3.07 -1.66 0.47 114.58 120.79 1lxf h GLU 59 Ca 0.62 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 1lxf h GLU 59 Cb 1.40 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1lxf h GLU 59 CO -0.84 0.43 0.00 0.52 -1.40 0.00 0.00 179.01 177.72 1lxf h MET 60 N 0.67 0.00 0.17 2.33 2.86 0.33 -2.41 114.93 118.87 1lxf h MET 60 Ca 0.33 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.73 1lxf h MET 60 Cb 0.28 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.96 1lxf h MET 60 CO -0.23 0.00 -1.14 0.82 1.06 0.00 0.00 176.91 177.42 1lxf h ILE 61 N 0.00 1.34 -0.07 -1.22 1.08 0.86 -3.24 117.51 116.25 1lxf h ILE 61 Ca 0.00 -2.55 0.02 0.00 -0.39 0.00 0.00 64.86 61.94 1lxf h ILE 61 Cb 0.23 3.05 -0.00 0.00 -3.07 0.00 0.00 36.82 37.03 1lxf h ILE 61 CO 0.00 0.75 0.38 0.44 -0.69 0.00 0.00 178.15 179.02 1lxf h ASP 62 N -0.21 0.00 -0.15 1.72 3.32 -0.73 1.02 116.42 121.40 1lxf h ASP 62 Ca -0.21 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 1lxf h ASP 62 Cb 1.82 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.35 1lxf h ASP 62 CO 0.17 0.00 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.26 1lxf h GLU 63 N 0.00 0.48 0.00 3.56 4.39 -1.58 -3.31 114.58 118.12 1lxf h GLU 63 Ca 0.03 -0.13 -0.22 0.00 0.34 0.00 0.00 59.36 59.39 1lxf h GLU 63 Cb 0.79 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.34 1lxf h GLU 63 CO -0.00 0.58 -1.82 1.33 -1.16 0.00 0.00 179.01 177.93 1lxf n VAL 64 N -4.23 0.83 -1.83 3.13 0.24 0.18 -4.82 118.33 111.83 1lxf n VAL 64 Ca 0.01 -0.38 -0.24 0.00 -2.04 0.00 0.00 64.34 61.69 1lxf n VAL 64 Cb 0.30 -0.92 -0.08 0.00 -1.47 0.00 0.00 33.84 31.67 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 2.40 0.02 -1.34 9.92 0.30 -4.53 116.55 120.55 1lxf n ASP 65 Ca -0.24 -2.62 0.11 0.00 -0.53 0.00 0.00 54.79 51.51 1lxf n ASP 65 Cb 0.81 -1.69 0.01 0.00 -0.64 0.00 0.00 41.12 39.61 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 8.18 0.29 -0.03 -1.24 1.02 -1.26 -4.06 120.64 123.54 1lxf n GLU 66 Ca 0.44 -0.01 0.06 0.00 -0.02 0.00 0.00 57.16 57.63 1lxf n GLU 66 Cb 0.46 -1.59 -0.16 0.00 -0.02 0.00 0.00 31.44 30.13 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 -1.95 0.03 0.00 1.62 5.75 -1.26 -4.98 116.55 115.75 1lxf n ASP 67 Ca 0.02 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 1lxf n ASP 67 Cb 0.44 1.72 0.00 0.00 -1.03 0.00 0.00 41.12 42.24 1lxf n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lxf n GLY 68 N 1.37 0.64 0.38 6.12 0.00 -1.26 -4.94 105.19 107.50 1lxf n GLY 68 Ca -0.11 -0.61 0.17 0.00 0.00 0.00 0.00 46.02 45.48 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 0.20 0.00 1.61 4.64 -1.94 -3.45 113.55 114.61 1lxf h SER 69 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1lxf h SER 69 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1lxf h SER 69 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 1lxf n GLY 70 N -1.58 0.43 3.32 -0.77 0.00 -1.26 -5.04 105.19 100.28 1lxf n GLY 70 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.87 0.00 -3.86 2.61 -2.24 -1.26 -4.72 114.28 102.93 1lxf n THR 71 Ca 0.00 -1.44 -0.23 0.00 -2.27 0.00 0.00 64.05 60.10 1lxf n THR 71 Cb 0.00 1.01 -0.17 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.56 0.00 2.28 1.01 -1.22 -4.69 120.40 115.75 1lxf s VAL 72 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1lxf s VAL 72 Cb -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1lxf s VAL 72 CO 0.17 0.28 0.00 -0.90 0.00 0.00 0.00 175.10 174.65 1lxf n ASP 73 N 4.94 -0.36 -0.03 3.32 5.68 -1.24 0.19 116.55 129.05 1lxf n ASP 73 Ca -0.11 -0.72 0.15 0.00 -0.50 0.00 0.00 54.79 53.62 1lxf n ASP 73 Cb 0.50 0.00 0.85 0.00 -1.14 0.00 0.00 41.12 41.33 1lxf n ASP 73 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1lxf n PHE 74 N -1.99 0.00 0.00 2.11 -1.74 -1.21 -3.45 117.46 111.17 1lxf n PHE 74 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1lxf n PHE 74 Cb 0.00 -0.09 0.00 0.00 1.52 0.00 0.00 39.48 40.91 1lxf n PHE 74 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1lxf n ASP 75 N -1.01 0.00 -0.33 5.98 8.00 -1.26 -3.66 116.55 124.27 1lxf n ASP 75 Ca 0.21 0.00 0.35 0.00 0.71 0.00 0.00 54.79 56.06 1lxf n ASP 75 Cb 0.17 0.00 0.62 0.00 -0.02 0.00 0.00 41.12 41.89 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 0.00 -1.24 4.11 -1.96 -1.19 114.58 114.31 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 -3.61 0.00 -0.34 2.06 7.35 -1.22 -1.45 117.46 120.25 1lxf n PHE 77 Ca 0.28 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.94 1lxf n PHE 77 Cb 1.53 -0.36 0.01 0.00 0.35 0.00 0.00 39.48 41.01 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 -1.57 -0.65 -0.10 -2.13 4.77 -0.47 0.38 117.00 117.24 1lxf n LEU 78 Ca 0.00 1.51 -0.12 0.00 -0.03 0.00 0.00 56.01 57.37 1lxf n LEU 78 Cb 0.00 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 1lxf n LEU 78 CO 0.00 -1.33 0.55 0.58 -1.33 0.00 0.00 177.39 175.86 1lxf h VAL 79 N 0.00 0.07 -1.38 4.08 2.07 -1.54 0.46 116.25 120.01 1lxf h VAL 79 Ca 0.26 0.00 0.48 0.00 0.82 0.00 0.00 66.70 68.26 1lxf h VAL 79 Cb 0.48 0.07 -0.14 0.00 -1.52 0.00 0.00 31.29 30.17 1lxf h VAL 79 CO -0.85 0.00 0.88 -0.03 0.02 0.00 0.00 177.57 177.59 1lxf h MET 80 N -0.41 0.00 0.00 1.57 -1.53 0.11 1.46 114.93 116.13 1lxf h MET 80 Ca 0.10 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.36 1lxf h MET 80 Cb 0.61 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.66 1lxf h MET 80 CO -0.54 0.00 0.00 -1.33 0.14 0.00 0.00 176.91 175.18 1lxf n MET 81 N -4.76 0.00 -0.41 0.39 2.00 0.15 -2.23 117.12 112.26 1lxf n MET 81 Ca 0.41 0.27 0.33 0.00 0.00 0.00 0.00 57.70 58.71 1lxf n MET 81 Cb 1.57 -0.86 0.62 0.00 0.00 0.00 0.00 33.22 34.55 1lxf n MET 81 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 1lxf h VAL 82 N 0.00 0.23 0.03 2.03 3.04 -0.42 0.57 116.25 121.72 1lxf h VAL 82 Ca 0.00 -0.05 -0.00 0.00 -1.01 0.00 0.00 66.70 65.63 1lxf h VAL 82 Cb 0.00 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.33 1lxf h VAL 82 CO 0.00 0.03 -0.01 -0.09 -1.01 0.00 0.00 177.57 176.49 1lxf h ARG 83 N 0.16 -0.04 0.00 4.17 2.43 0.19 -2.52 114.38 118.77 1lxf h ARG 83 Ca 0.76 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.92 1lxf h ARG 83 Cb 2.30 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.86 1lxf h ARG 83 CO -0.38 0.14 -0.05 0.00 -1.51 0.00 0.00 179.97 178.17 1lxf n MET 85 N -3.18 1.44 0.01 0.00 2.81 0.69 -3.56 117.12 115.32 1lxf n MET 85 Ca 0.00 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.23 1lxf n MET 85 Cb 0.32 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 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 0.04 0.00 -3.29 0.03 5.02 -0.76 -5.00 118.16 114.21 1lxf n LYS 86 Ca 0.06 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.10 1lxf n LYS 86 Cb 0.16 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.10 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 -2.56 0.74 -4.52 4.39 9.92 0.30 -5.06 116.55 119.75 1lxf n ASP 87 Ca 0.00 -2.78 -0.26 0.00 -0.53 0.00 0.00 54.79 51.22 1lxf n ASP 87 Cb 0.00 -0.63 -0.14 0.00 -0.64 0.00 0.00 41.12 39.71 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 1.58 0.44 0.00 -2.24 -0.08 -1.23 -4.50 116.55 110.51 1lxf n ASP 88 Ca 0.24 -0.63 0.04 0.00 -1.51 0.00 0.00 54.79 52.93 1lxf n ASP 88 Cb 0.50 -1.10 0.25 0.00 2.34 0.00 0.00 41.12 43.10 1lxf n ASP 88 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78