#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 3.65 0.06 6.12 9.92 -1.26 -4.81 116.55 130.24 1lxf n ASP 2 Ca 0.00 -3.18 -0.14 0.00 -0.53 0.00 0.00 54.79 50.93 1lxf n ASP 2 Cb 0.00 -0.42 -0.05 0.00 -0.64 0.00 0.00 41.12 40.01 1lxf n ASP 2 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1lxf h ASP 3 N 2.45 0.60 -1.56 -2.24 2.03 -2.06 -3.17 116.42 112.47 1lxf h ASP 3 Ca 0.18 -0.47 0.49 0.00 -0.73 0.00 0.00 57.03 56.50 1lxf h ASP 3 Cb 1.32 -0.18 -0.11 0.00 -0.83 0.00 0.00 39.33 39.53 1lxf h ASP 3 CO 0.60 1.26 1.06 0.16 -1.03 0.00 0.00 179.24 181.29 1lxf h ILE 4 N 0.27 0.07 0.20 4.15 -2.65 -2.01 1.71 117.51 119.25 1lxf h ILE 4 Ca -0.08 -0.01 -0.26 0.00 1.03 0.00 0.00 64.86 65.53 1lxf h ILE 4 Cb 1.57 0.04 0.03 0.00 -2.05 0.00 0.00 36.82 36.41 1lxf h ILE 4 CO 0.17 0.01 -1.16 1.88 0.03 0.00 0.00 178.15 179.07 1lxf h TYR 5 N 0.03 0.76 -0.75 0.16 -1.99 -1.95 -3.02 116.97 110.21 1lxf h TYR 5 Ca 0.86 -0.56 0.17 0.00 2.00 0.00 0.00 58.73 61.21 1lxf h TYR 5 Cb 3.04 -0.03 -0.12 0.00 2.00 0.00 0.00 36.73 41.62 1lxf h TYR 5 CO -0.00 1.45 0.10 0.87 -0.00 0.00 0.00 178.16 180.58 1lxf h LYS 6 N -0.12 0.18 0.06 4.88 1.79 0.25 0.74 116.57 124.35 1lxf h LYS 6 Ca -0.20 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1lxf h LYS 6 Cb 1.91 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.52 1lxf h LYS 6 CO 0.21 0.12 -0.03 0.00 -1.08 0.00 0.00 179.45 178.67 1lxf h ALA 7 N 1.67 -0.08 -0.44 3.86 0.00 -1.30 0.74 119.26 123.71 1lxf h ALA 7 Ca 0.42 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.31 1lxf h ALA 7 Cb 0.76 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1lxf h ALA 7 CO -0.59 -0.41 0.31 0.00 0.00 0.00 0.00 179.25 178.56 1lxf h ALA 8 N 0.57 2.34 0.00 0.00 0.00 -0.92 1.64 119.26 122.90 1lxf h ALA 8 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1lxf h ALA 8 Cb 0.31 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1lxf h ALA 8 CO 0.01 -0.46 -1.13 0.28 0.00 0.00 0.00 179.25 177.95 1lxf h VAL 9 N 0.05 0.57 0.00 0.00 2.07 0.83 -3.32 116.25 116.45 1lxf h VAL 9 Ca 0.21 -1.99 -0.12 0.00 0.82 0.00 0.00 66.70 65.62 1lxf h VAL 9 Cb 0.76 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 1lxf h VAL 9 CO -0.01 0.32 -1.00 -0.33 0.02 0.00 0.00 177.57 176.57 1lxf h GLU 10 N 0.00 0.00 -0.96 1.57 4.39 0.35 -3.31 114.58 116.62 1lxf h GLU 10 Ca -0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1lxf h GLU 10 Cb 1.49 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.09 1lxf h GLU 10 CO 0.05 0.31 0.59 1.96 -1.16 0.00 0.00 179.01 180.76 1lxf h GLN 11 N 0.00 1.30 -6.79 2.33 1.08 0.22 -3.43 115.11 109.81 1lxf h GLN 11 Ca -0.08 -0.11 -0.57 0.00 -1.45 0.00 0.00 58.65 56.44 1lxf h GLN 11 Cb 1.42 -0.27 0.12 0.00 -0.05 0.00 0.00 27.48 28.70 1lxf h GLN 11 CO 0.04 0.90 0.44 1.28 -0.95 0.00 0.00 178.83 180.54 1lxf n LEU 12 N -4.36 3.76 -5.01 1.46 4.77 -1.25 -5.01 117.00 111.37 1lxf n LEU 12 Ca 0.11 1.10 -0.20 0.00 -0.03 0.00 0.00 56.01 56.99 1lxf n LEU 12 Cb 0.05 -1.47 0.05 0.00 -2.33 0.00 0.00 43.42 39.71 1lxf n LEU 12 CO 0.38 -0.78 0.32 -0.89 -1.33 0.00 0.00 177.39 175.08 1lxf s THR 13 N -1.20 2.54 -0.28 -5.08 2.01 -1.26 -4.91 115.64 107.46 1lxf s THR 13 Ca 0.61 -0.87 0.19 0.00 0.31 0.00 0.00 61.69 61.94 1lxf s THR 13 Cb -0.52 -2.67 0.19 0.00 0.01 0.00 0.00 72.50 69.51 1lxf s THR 13 CO 0.58 0.00 1.59 1.21 -0.69 0.00 0.00 174.62 177.31 1lxf n GLU 14 N -2.22 0.12 0.00 4.92 4.07 -1.26 -1.84 120.64 124.43 1lxf n GLU 14 Ca 0.11 0.62 0.00 0.00 -0.06 0.00 0.00 57.16 57.84 1lxf n GLU 14 Cb 0.60 -1.91 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 1lxf n GLU 14 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1lxf n GLU 15 N -2.18 0.00 -0.08 5.31 1.02 -1.26 -3.20 120.64 120.26 1lxf n GLU 15 Ca -0.01 0.48 -0.10 0.00 -0.02 0.00 0.00 57.16 57.51 1lxf n GLU 15 Cb 0.03 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.37 -1.04 3.49 4.15 -1.93 -2.54 115.11 117.61 1lxf h GLN 16 Ca 0.00 -0.05 0.40 0.00 0.77 0.00 0.00 58.65 59.77 1lxf h GLN 16 Cb 0.00 -0.07 -0.14 0.00 0.21 0.00 0.00 27.48 27.47 1lxf h GLN 16 CO 0.00 0.33 0.62 1.63 -1.93 0.00 0.00 178.83 179.48 1lxf n LYS 17 N -4.84 -0.04 -0.24 1.69 4.76 -0.77 0.29 118.16 119.01 1lxf n LYS 17 Ca -0.02 1.18 0.01 0.00 -2.87 0.00 0.00 58.31 56.61 1lxf n LYS 17 Cb 0.08 -2.21 0.23 0.00 -1.84 0.00 0.00 35.03 31.29 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 0.89 -0.51 4.39 2.35 -1.41 -2.22 115.58 119.07 1lxf h ASN 18 Ca 0.77 -0.02 0.10 0.00 -0.55 0.00 0.00 56.30 56.60 1lxf h ASN 18 Cb 2.24 -0.22 -0.09 0.00 0.05 0.00 0.00 38.32 40.30 1lxf h ASN 18 CO -0.57 0.64 -0.08 1.05 -1.65 0.00 0.00 177.43 176.82 1lxf h GLU 19 N 1.05 0.04 -0.50 0.81 4.11 0.41 0.22 114.58 120.72 1lxf h GLU 19 Ca 0.29 -0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.59 1lxf h GLU 19 Cb -0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1lxf h GLU 19 CO -0.07 0.02 -0.19 0.74 0.07 0.00 0.00 179.01 179.59 1lxf h PHE 20 N 0.04 1.16 -0.41 2.06 0.04 -1.48 -2.70 116.94 115.64 1lxf h PHE 20 Ca 0.25 -0.27 0.03 0.00 2.80 0.00 0.00 57.97 60.78 1lxf h PHE 20 Cb 0.39 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1lxf h PHE 20 CO -0.39 1.10 0.21 0.87 -0.60 0.00 0.00 178.31 179.50 1lxf h LYS 21 N 0.88 0.41 -0.21 1.51 1.57 -0.60 0.55 116.57 120.68 1lxf h LYS 21 Ca 0.12 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1lxf h LYS 21 Cb 0.77 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 1lxf h LYS 21 CO 0.06 0.27 -0.02 0.00 -0.57 0.00 0.00 179.45 179.19 1lxf h ALA 22 N 1.21 0.17 0.00 3.86 0.00 -0.53 -0.28 119.26 123.69 1lxf h ALA 22 Ca 0.17 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1lxf h ALA 22 Cb 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1lxf h ALA 22 CO -0.12 -0.45 -0.23 0.00 0.00 0.00 0.00 179.25 178.46 1lxf h ALA 23 N 1.19 1.51 -0.16 0.00 0.00 -1.09 -1.59 119.26 119.11 1lxf h ALA 23 Ca 0.10 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1lxf h ALA 23 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1lxf h ALA 23 CO -0.18 0.28 0.13 0.74 0.00 0.00 0.00 179.25 180.21 1lxf h PHE 24 N 0.00 0.00 -0.09 0.00 0.04 0.19 0.42 116.94 117.50 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 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1lxf h PHE 24 CO 0.00 0.00 0.00 -0.25 -0.60 0.00 0.00 178.31 177.46 1lxf n ASP 25 N -4.31 1.05 -0.03 2.17 8.00 -0.60 -3.26 116.55 119.57 1lxf n ASP 25 Ca 0.01 -1.55 -0.03 0.00 0.71 0.00 0.00 54.79 53.92 1lxf n ASP 25 Cb 0.25 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.11 0.35 -0.00 0.53 2.08 0.13 -3.67 119.36 118.67 1lxf n ILE 26 Ca 0.16 -0.18 -0.13 0.00 0.56 0.00 0.00 62.75 63.17 1lxf n ILE 26 Cb 0.24 -0.80 -0.08 0.00 -0.75 0.00 0.00 39.64 38.25 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 0.00 0.05 -0.56 1.39 -1.00 -1.06 -3.15 116.94 112.61 1lxf h PHE 27 Ca -0.14 -0.01 -0.31 0.00 2.81 0.00 0.00 57.97 60.33 1lxf h PHE 27 Cb 1.27 -0.01 -0.18 0.00 3.61 0.00 0.00 35.95 40.63 1lxf h PHE 27 CO 0.00 0.35 0.12 1.33 -1.61 0.00 0.00 178.31 178.50 1lxf n VAL 28 N -4.91 2.78 0.21 -0.55 0.24 -1.20 -4.50 118.33 110.40 1lxf n VAL 28 Ca -0.08 -2.62 0.13 0.00 -2.04 0.00 0.00 64.34 59.73 1lxf n VAL 28 Cb 0.18 -0.43 0.70 0.00 -1.47 0.00 0.00 33.84 32.82 1lxf n VAL 28 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 1lxf h LEU 29 N 1.09 0.00 -3.69 1.34 8.10 -1.62 -1.21 115.31 119.32 1lxf h LEU 29 Ca 0.36 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 58.15 1lxf h LEU 29 Cb 1.93 0.00 -0.38 0.00 -0.44 0.00 0.00 40.66 41.78 1lxf h LEU 29 CO 0.65 0.00 -1.03 0.61 -4.11 0.00 0.00 178.44 174.55 1lxf n GLY 30 N -1.24 1.52 4.01 0.17 0.00 -1.26 -5.01 105.19 103.37 1lxf n GLY 30 Ca -0.02 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.28 4.41 -0.02 4.61 0.00 -0.46 -5.04 121.76 123.97 1lxf s ALA 31 Ca 0.33 -1.68 -0.23 0.00 0.00 0.00 0.00 51.96 50.37 1lxf s ALA 31 Cb 0.37 -1.70 -0.21 0.00 0.00 0.00 0.00 23.12 21.58 1lxf s ALA 31 CO -0.12 -0.51 1.15 1.49 0.00 0.00 0.00 175.76 177.76 1lxf h GLU 32 N 0.41 0.20 0.00 0.00 4.81 -1.87 -3.47 114.58 114.67 1lxf h GLU 32 Ca -0.39 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1lxf h GLU 32 Cb 1.28 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1lxf h GLU 32 CO 0.45 0.82 0.00 -0.40 -0.73 0.00 0.00 179.01 179.15 1lxf n ASP 33 N -4.56 0.00 -1.17 1.04 5.75 -1.26 -5.02 116.55 111.33 1lxf n ASP 33 Ca -0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.69 1lxf n ASP 33 Cb 0.44 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.51 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 2.20 0.78 3.85 6.12 0.00 -1.26 -5.02 105.19 111.85 1lxf n GLY 34 Ca 0.00 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.87 2.55 0.30 0.00 1.01 -0.18 -4.69 121.20 119.32 1lxf s ILE 36 Ca 0.14 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 60.01 1lxf s ILE 36 Cb -0.12 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 40.34 1lxf s ILE 36 CO 0.03 0.53 0.35 -1.20 0.00 0.00 0.00 174.94 174.66 1lxf n SER 37 N 3.85 1.41 0.27 3.58 7.64 -1.26 -1.93 113.62 127.18 1lxf n SER 37 Ca -0.19 -1.89 -0.11 0.00 1.01 0.00 0.00 58.87 57.69 1lxf n SER 37 Cb 0.52 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.24 0.00 -0.49 0.44 1.35 -1.90 0.01 112.91 112.57 1lxf h THR 38 Ca -0.16 -0.34 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 1lxf h THR 38 Cb 0.67 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.07 1lxf h THR 38 CO 0.24 0.00 0.26 0.11 -0.25 0.00 0.00 175.52 175.87 1lxf h LYS 39 N -1.06 0.67 -0.45 4.72 1.57 -1.92 0.25 116.57 120.36 1lxf h LYS 39 Ca -0.07 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1lxf h LYS 39 Cb 0.55 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1lxf h LYS 39 CO 0.12 0.51 -0.03 1.49 -0.57 0.00 0.00 179.45 180.97 1lxf h GLU 40 N 0.68 0.75 0.14 3.15 4.57 -1.91 -2.97 114.58 118.99 1lxf h GLU 40 Ca 0.17 -0.21 -0.30 0.00 -1.18 0.00 0.00 59.36 57.85 1lxf h GLU 40 Cb 0.04 -0.08 0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1lxf h GLU 40 CO -0.03 0.78 -1.27 1.25 -1.18 0.00 0.00 179.01 178.56 1lxf h LEU 41 N 0.69 0.78 -1.87 1.64 5.85 -0.02 -3.25 115.31 119.13 1lxf h LEU 41 Ca 0.13 -0.74 0.52 0.00 0.84 0.00 0.00 57.88 58.63 1lxf h LEU 41 Cb 0.47 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.17 1lxf h LEU 41 CO 0.02 1.56 1.25 1.23 -0.34 0.00 0.00 178.44 182.16 1lxf h GLY 42 N 0.56 0.29 0.83 3.75 0.00 -0.38 0.57 103.07 108.69 1lxf h GLY 42 Ca -0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1lxf h GLY 42 CO 0.23 -0.10 -0.15 1.70 0.00 0.00 0.00 176.54 178.23 1lxf h LYS 43 N 0.01 -0.41 0.21 4.80 1.63 -1.61 -0.34 116.57 120.87 1lxf h LYS 43 Ca 0.88 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 60.72 1lxf h LYS 43 Cb 3.39 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 35.08 1lxf h LYS 43 CO -0.10 -0.16 -0.33 0.28 -3.45 0.00 0.00 179.45 175.68 1lxf h VAL 44 N -0.61 0.30 -0.44 2.00 2.07 -0.04 -1.14 116.25 118.39 1lxf h VAL 44 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.56 1lxf h VAL 44 Cb 0.44 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 1lxf h VAL 44 CO 0.07 0.00 -0.11 0.24 0.02 0.00 0.00 177.57 177.79 1lxf h MET 45 N -0.62 -0.00 -0.91 1.57 2.86 -1.46 0.48 114.93 116.84 1lxf h MET 45 Ca 0.01 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.82 1lxf h MET 45 Cb 0.61 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.17 1lxf h MET 45 CO -0.14 -0.00 0.50 -0.09 1.06 0.00 0.00 176.91 178.24 1lxf h ARG 46 N -0.00 0.64 0.32 1.72 2.43 -0.58 -1.58 114.38 117.33 1lxf h ARG 46 Ca 0.21 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1lxf h ARG 46 Cb 0.33 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1lxf h ARG 46 CO -0.46 0.42 -0.16 0.52 -1.51 0.00 0.00 179.97 178.79 1lxf h MET 47 N 0.66 -0.42 0.00 0.20 2.86 0.32 -3.35 114.93 115.20 1lxf h MET 47 Ca 0.52 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.18 1lxf h MET 47 Cb 0.78 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1lxf h MET 47 CO -0.38 -0.21 0.00 1.28 1.06 0.00 0.00 176.91 178.65 1lxf n LEU 48 N -5.24 0.00 -1.28 1.22 4.32 -0.61 -4.82 117.00 110.60 1lxf n LEU 48 Ca -0.10 0.34 -0.00 0.00 -0.02 0.00 0.00 56.01 56.22 1lxf n LEU 48 Cb 0.22 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1lxf n LEU 48 CO 0.34 0.00 0.20 0.61 -1.22 0.00 0.00 177.39 177.33 1lxf n GLY 49 N -0.59 -0.74 3.35 -0.72 0.00 -1.08 -5.12 105.19 100.30 1lxf n GLY 49 Ca 0.00 -0.01 -0.16 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 1.70 -0.42 1.61 -0.21 -1.13 -5.06 119.66 116.16 1lxf s GLN 50 Ca 0.00 -1.83 0.04 0.00 0.02 0.00 0.00 55.36 53.60 1lxf s GLN 50 Cb 0.02 0.36 0.17 0.00 1.00 0.00 0.00 33.01 34.56 1lxf s GLN 50 CO -0.00 -0.65 0.40 1.21 -2.12 0.00 0.00 175.29 174.12 1lxf s ASN 51 N -3.27 1.03 0.27 5.90 2.47 -1.26 -3.42 114.94 116.65 1lxf s ASN 51 Ca 0.36 -2.70 -0.27 0.00 0.42 0.00 0.00 52.86 50.67 1lxf s ASN 51 Cb 0.02 0.01 -0.09 0.00 -1.45 0.00 0.00 41.25 39.74 1lxf s ASN 51 CO 0.22 -0.17 0.90 -2.16 -3.72 0.00 0.00 177.10 172.18 1lxf s PRO 52 N 0.34 4.64 0.65 0.43 0.04 -1.26 -5.08 135.00 134.77 1lxf s PRO 52 Ca 0.30 1.32 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 1lxf s PRO 52 Cb 0.00 -3.01 0.14 0.00 0.04 0.00 0.00 34.50 31.67 1lxf s PRO 52 CO -0.15 0.40 0.89 2.41 0.04 0.00 0.00 177.00 180.59 1lxf n THR 53 N 0.98 0.00 0.44 1.26 -1.04 -1.26 -4.89 114.28 109.78 1lxf n THR 53 Ca -0.01 -1.03 0.12 0.00 -2.04 0.00 0.00 64.05 61.10 1lxf n THR 53 Cb 0.49 -1.26 0.28 0.00 -1.82 0.00 0.00 70.33 68.02 1lxf n THR 53 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1lxf h PRO 54 N 0.00 0.00 0.07 -2.82 0.13 -1.98 -2.36 132.00 125.04 1lxf h PRO 54 Ca -0.29 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.54 1lxf h PRO 54 Cb 0.94 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 1lxf h PRO 54 CO 0.26 0.00 -1.60 0.93 -0.23 0.00 0.00 178.00 177.36 1lxf h GLU 55 N 0.00 0.15 0.11 0.86 4.39 -2.00 -3.21 114.58 114.87 1lxf h GLU 55 Ca 0.00 -0.25 -0.28 0.00 0.34 0.00 0.00 59.36 59.17 1lxf h GLU 55 Cb 0.85 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1lxf h GLU 55 CO 0.00 0.92 -1.35 0.93 -1.16 0.00 0.00 179.01 178.35 1lxf h GLU 56 N 0.04 0.22 -0.37 2.33 5.08 -1.95 -3.34 114.58 116.59 1lxf h GLU 56 Ca -0.26 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 57.69 1lxf h GLU 56 Cb 1.99 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 31.37 1lxf h GLU 56 CO 0.12 1.13 0.13 -0.07 -1.00 0.00 0.00 179.01 179.32 1lxf h LEU 57 N 0.06 0.53 -1.09 1.33 3.38 -1.57 -2.62 115.31 115.33 1lxf h LEU 57 Ca -0.17 -0.19 0.26 0.00 0.09 0.00 0.00 57.88 57.87 1lxf h LEU 57 Cb 1.97 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 42.46 1lxf h LEU 57 CO 0.17 0.58 0.62 -0.61 0.09 0.00 0.00 178.44 179.29 1lxf h GLN 58 N 0.45 0.51 -0.41 1.13 5.75 -1.67 0.87 115.11 121.75 1lxf h GLN 58 Ca 0.12 -0.03 0.12 0.00 -0.15 0.00 0.00 58.65 58.71 1lxf h GLN 58 Cb 0.23 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 1lxf h GLN 58 CO -0.01 0.34 0.31 0.93 -2.65 0.00 0.00 178.83 177.75 1lxf h GLU 59 N 0.52 0.00 -0.12 1.69 3.07 -1.59 0.45 114.58 118.61 1lxf h GLU 59 Ca 0.64 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.34 1lxf h GLU 59 Cb 1.33 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.24 1lxf h GLU 59 CO -0.44 0.00 -0.56 0.52 -1.40 0.00 0.00 179.01 177.13 1lxf h MET 60 N 0.00 0.59 -0.31 2.33 2.86 0.70 -3.15 114.93 117.94 1lxf h MET 60 Ca 0.19 -0.47 -0.11 0.00 -2.06 0.00 0.00 59.70 57.25 1lxf h MET 60 Cb 0.82 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1lxf h MET 60 CO -0.00 1.10 -0.22 0.82 1.06 0.00 0.00 176.91 179.66 1lxf h ILE 61 N 0.22 1.30 -0.97 -1.22 5.03 -0.80 -2.84 117.51 118.22 1lxf h ILE 61 Ca -0.04 -1.36 0.28 0.00 -0.12 0.00 0.00 64.86 63.62 1lxf h ILE 61 Cb 1.20 1.49 -0.04 0.00 -3.03 0.00 0.00 36.82 36.44 1lxf h ILE 61 CO 0.12 0.44 0.69 0.44 -0.68 0.00 0.00 178.15 179.16 1lxf h ASP 62 N 0.46 0.03 -0.23 1.72 3.32 -0.23 2.51 116.42 124.00 1lxf h ASP 62 Ca 0.06 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.93 1lxf h ASP 62 Cb 0.77 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1lxf h ASP 62 CO 0.06 0.01 -0.57 -0.33 -1.72 0.00 0.00 179.24 176.69 1lxf h GLU 63 N 0.03 0.79 0.00 3.56 5.08 -1.46 -3.21 114.58 119.37 1lxf h GLU 63 Ca 0.47 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1lxf h GLU 63 Cb 1.81 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1lxf h GLU 63 CO -0.02 1.17 -0.93 1.33 -1.00 0.00 0.00 179.01 179.56 1lxf n VAL 64 N -4.05 0.44 -1.05 3.13 0.24 0.11 -4.39 118.33 112.76 1lxf n VAL 64 Ca -0.06 -0.41 -0.23 0.00 -2.04 0.00 0.00 64.34 61.61 1lxf n VAL 64 Cb 0.64 -0.16 -0.09 0.00 -1.47 0.00 0.00 33.84 32.75 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 -2.36 6.32 0.07 -1.34 9.92 0.81 -4.41 116.55 125.56 1lxf n ASP 65 Ca 0.01 -2.45 -0.06 0.00 -0.53 0.00 0.00 54.79 51.76 1lxf n ASP 65 Cb 0.50 -1.38 0.10 0.00 -0.64 0.00 0.00 41.12 39.70 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 4.21 0.28 0.00 -1.24 5.08 -1.78 -2.90 114.58 118.23 1lxf h GLU 66 Ca 0.47 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1lxf h GLU 66 Cb 0.85 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1lxf h GLU 66 CO 0.95 0.82 -0.62 0.38 -1.00 0.00 0.00 179.01 179.54 1lxf h ASP 67 N 0.20 0.00 -1.01 1.42 3.04 -1.97 -3.48 116.42 114.62 1lxf h ASP 67 Ca -0.01 -0.10 -0.00 0.00 -3.24 0.00 0.00 57.03 53.68 1lxf h ASP 67 Cb 1.15 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.44 1lxf h ASP 67 CO 0.10 0.05 -0.01 0.61 -2.04 0.00 0.00 179.24 177.95 1lxf n GLY 68 N 1.25 0.92 0.23 7.15 0.00 -1.10 -4.95 105.19 108.69 1lxf n GLY 68 Ca 0.02 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.49 1lxf n GLY 68 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lxf h SER 69 N -0.03 0.00 0.00 1.61 0.02 -1.93 -3.47 113.55 109.76 1lxf h SER 69 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1lxf h SER 69 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1lxf h SER 69 CO 0.01 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 1lxf n GLY 70 N 0.90 0.68 0.00 -3.77 0.00 -1.26 -4.99 105.19 96.75 1lxf n GLY 70 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.59 0.00 -3.74 2.61 -2.24 -1.26 -4.82 114.28 102.24 1lxf n THR 71 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1lxf n THR 71 Cb 0.00 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.74 0.78 0.00 2.28 1.01 -0.81 -4.57 120.40 116.35 1lxf s VAL 72 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1lxf s VAL 72 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.90 1lxf s VAL 72 CO 0.00 -0.52 0.00 -0.90 0.00 0.00 0.00 175.10 173.68 1lxf n ASP 73 N 4.91 -0.32 -0.16 3.32 5.68 -1.24 -1.02 116.55 127.72 1lxf n ASP 73 Ca -0.05 -0.16 0.09 0.00 -0.50 0.00 0.00 54.79 54.17 1lxf n ASP 73 Cb 0.43 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.88 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 -1.14 0.06 0.00 2.11 7.35 -1.17 -3.58 117.46 121.09 1lxf n PHE 74 Ca 0.00 -0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 1lxf n PHE 74 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 -0.45 0.00 -0.34 -2.13 9.92 -1.26 -4.40 116.55 117.89 1lxf n ASP 75 Ca 0.14 0.00 0.36 0.00 -0.53 0.00 0.00 54.79 54.75 1lxf n ASP 75 Cb 0.14 0.00 0.62 0.00 -0.64 0.00 0.00 41.12 41.24 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 0.07 -1.24 4.11 -1.92 -1.19 114.58 114.42 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 -0.04 0.35 0.07 0.00 0.00 179.01 179.39 1lxf h PHE 77 N 0.00 -0.11 -0.06 2.06 3.57 -1.81 -0.59 116.94 119.99 1lxf h PHE 77 Ca 0.60 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 62.11 1lxf h PHE 77 Cb 2.91 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 41.68 1lxf h PHE 77 CO 0.00 -0.06 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.89 1lxf h LEU 78 N -0.11 -0.19 -0.99 0.59 3.38 -1.42 0.16 115.31 116.74 1lxf h LEU 78 Ca -0.01 0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.22 1lxf h LEU 78 Cb 0.09 0.08 -0.19 0.00 0.09 0.00 0.00 40.66 40.73 1lxf h LEU 78 CO 0.01 -0.03 -0.11 0.52 0.09 0.00 0.00 178.44 178.92 1lxf n VAL 79 N -3.07 -0.41 -0.36 1.22 0.31 -1.20 0.26 118.33 115.08 1lxf n VAL 79 Ca -0.00 2.21 0.35 0.00 -0.01 0.00 0.00 64.34 66.89 1lxf n VAL 79 Cb 0.03 -3.15 0.71 0.00 -0.91 0.00 0.00 33.84 30.52 1lxf n VAL 79 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 1lxf h MET 80 N 0.00 0.07 0.03 5.55 -1.53 0.70 1.48 114.93 121.24 1lxf h MET 80 Ca 0.54 -0.00 -0.22 0.00 -3.44 0.00 0.00 59.70 56.57 1lxf h MET 80 Cb 0.98 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.99 1lxf h MET 80 CO -0.97 0.05 -1.03 0.52 0.14 0.00 0.00 176.91 175.61 1lxf h MET 81 N 0.07 0.10 -0.00 0.39 2.86 0.38 -3.16 114.93 115.57 1lxf h MET 81 Ca 0.61 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 1lxf h MET 81 Cb 2.27 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.99 1lxf h MET 81 CO -0.08 1.04 -0.29 0.28 1.06 0.00 0.00 176.91 178.91 1lxf n VAL 82 N -3.46 0.00 -0.07 -2.22 0.31 0.44 -3.12 118.33 110.21 1lxf n VAL 82 Ca -0.03 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.14 1lxf n VAL 82 Cb 0.93 0.05 -0.11 0.00 -0.91 0.00 0.00 33.84 33.81 1lxf n VAL 82 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1lxf h ARG 83 N 0.27 0.00 -0.14 5.55 2.43 0.44 -3.04 114.38 119.89 1lxf h ARG 83 Ca 0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1lxf h ARG 83 Cb 0.47 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1lxf h ARG 83 CO 0.00 0.84 -0.51 0.00 -1.51 0.00 0.00 179.97 178.80 1lxf n MET 85 N -3.96 0.13 -0.11 0.00 2.81 -1.18 -0.73 117.12 114.08 1lxf n MET 85 Ca -0.02 0.08 -0.15 0.00 -1.81 0.00 0.00 57.70 55.80 1lxf n MET 85 Cb 0.56 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.47 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 -1.42 0.63 -3.10 0.03 5.02 -0.97 -4.79 118.16 113.56 1lxf n LYS 86 Ca 0.08 0.11 -0.18 0.00 -2.02 0.00 0.00 58.31 56.30 1lxf n LYS 86 Cb 0.25 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 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 -3.09 -0.11 -4.04 4.39 8.00 -0.17 -5.09 116.55 116.44 1lxf n ASP 87 Ca -0.38 -3.01 -0.37 0.00 0.71 0.00 0.00 54.79 51.73 1lxf n ASP 87 Cb 0.94 -0.10 0.05 0.00 -0.02 0.00 0.00 41.12 41.99 1lxf n ASP 87 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1lxf n ASP 88 N 0.79 -3.82 0.00 -2.24 9.92 0.10 -4.74 116.55 116.56 1lxf n ASP 88 Ca 0.20 0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1lxf n ASP 88 Cb 0.62 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 1lxf n ASP 88 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09