#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 3.74 0.00 3.17 8.00 -1.26 -4.66 116.55 125.54 1lxf n ASP 2 Ca 0.00 -2.06 -0.02 0.00 0.71 0.00 0.00 54.79 53.42 1lxf n ASP 2 Cb 0.00 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 40.66 1lxf n ASP 2 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1lxf h ASP 3 N 3.60 -0.24 -1.81 -2.24 3.58 -2.05 2.22 116.42 119.47 1lxf h ASP 3 Ca 0.00 0.03 0.55 0.00 0.42 0.00 0.00 57.03 58.03 1lxf h ASP 3 Cb 0.97 0.09 -0.10 0.00 1.72 0.00 0.00 39.33 42.01 1lxf h ASP 3 CO 0.02 -0.07 1.27 2.30 -2.88 0.00 0.00 179.24 179.88 1lxf n ILE 4 N -2.95 -0.08 0.09 2.25 -5.35 -1.26 0.25 119.36 112.31 1lxf n ILE 4 Ca -0.01 1.60 -0.23 0.00 -0.27 0.00 0.00 62.75 63.83 1lxf n ILE 4 Cb 0.05 -2.65 -0.15 0.00 -1.74 0.00 0.00 39.64 35.16 1lxf n ILE 4 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1lxf h TYR 5 N 0.00 0.77 -0.80 4.28 -1.99 -1.01 -3.25 116.97 114.97 1lxf h TYR 5 Ca 0.93 -0.56 0.19 0.00 2.00 0.00 0.00 58.73 61.29 1lxf h TYR 5 Cb 3.52 -0.03 -0.14 0.00 2.00 0.00 0.00 36.73 42.08 1lxf h TYR 5 CO -0.00 1.65 0.06 0.87 -0.00 0.00 0.00 178.16 180.74 1lxf h LYS 6 N 0.09 0.12 0.76 4.88 1.79 1.87 1.10 116.57 127.18 1lxf h LYS 6 Ca -0.32 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.10 1lxf h LYS 6 Cb 2.10 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 32.73 1lxf h LYS 6 CO 0.19 0.08 -0.36 0.00 -1.08 0.00 0.00 179.45 178.28 1lxf h ALA 7 N 1.75 -1.10 -0.96 3.86 0.00 -1.47 0.66 119.26 121.99 1lxf h ALA 7 Ca 0.46 -0.22 0.26 0.00 0.00 0.00 0.00 54.91 55.41 1lxf h ALA 7 Cb 0.85 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1lxf h ALA 7 CO -0.68 -1.03 0.67 0.00 0.00 0.00 0.00 179.25 178.21 1lxf h ALA 8 N -1.38 2.66 0.00 0.00 0.00 -1.31 1.49 119.26 120.71 1lxf h ALA 8 Ca -0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1lxf h ALA 8 Cb 0.78 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1lxf h ALA 8 CO 0.17 -0.96 -0.40 0.28 0.00 0.00 0.00 179.25 178.34 1lxf h VAL 9 N 0.15 0.25 0.00 0.00 2.07 0.15 -3.30 116.25 115.57 1lxf h VAL 9 Ca 0.48 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1lxf h VAL 9 Cb 1.64 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1lxf h VAL 9 CO -0.09 0.14 -0.00 -0.33 0.02 0.00 0.00 177.57 177.31 1lxf h GLU 10 N 0.00 -0.00 -1.13 1.57 4.39 0.80 -3.26 114.58 116.95 1lxf h GLU 10 Ca -0.01 0.00 0.37 0.00 0.34 0.00 0.00 59.36 60.06 1lxf h GLU 10 Cb 1.14 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.65 1lxf h GLU 10 CO 0.02 0.90 0.69 1.96 -1.16 0.00 0.00 179.01 181.41 1lxf h GLN 11 N -0.94 0.19 -6.57 2.33 1.08 -0.52 -3.39 115.11 107.29 1lxf h GLN 11 Ca -0.00 -0.01 -0.53 0.00 -1.45 0.00 0.00 58.65 56.66 1lxf h GLN 11 Cb 0.90 -0.04 0.05 0.00 -0.05 0.00 0.00 27.48 28.34 1lxf h GLN 11 CO 0.00 0.13 1.05 1.28 -0.95 0.00 0.00 178.83 180.33 1lxf n LEU 12 N -4.89 3.96 -4.89 1.46 4.77 -1.23 -4.98 117.00 111.20 1lxf n LEU 12 Ca 0.34 1.03 -0.30 0.00 -0.03 0.00 0.00 56.01 57.05 1lxf n LEU 12 Cb 1.18 -1.55 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 1lxf n LEU 12 CO 0.15 0.15 0.17 0.42 -1.33 0.00 0.00 177.39 176.94 1lxf s THR 13 N 1.90 5.03 0.44 -5.08 -4.23 -1.26 -4.89 115.64 107.55 1lxf s THR 13 Ca 0.79 0.16 0.35 0.00 -1.18 0.00 0.00 61.69 61.81 1lxf s THR 13 Cb -0.51 -3.68 0.53 0.00 1.34 0.00 0.00 72.50 70.18 1lxf s THR 13 CO 0.35 -0.17 1.47 1.21 -0.54 0.00 0.00 174.62 176.94 1lxf n GLU 14 N -0.49 -0.03 0.08 3.99 2.13 -1.26 -0.10 120.64 124.97 1lxf n GLU 14 Ca -0.01 1.14 -0.13 0.00 0.66 0.00 0.00 57.16 58.82 1lxf n GLU 14 Cb 0.53 -2.34 -0.08 0.00 0.27 0.00 0.00 31.44 29.82 1lxf n GLU 14 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1lxf h GLU 15 N 0.00 -0.58 -0.38 5.31 5.08 -2.00 0.53 114.58 122.53 1lxf h GLU 15 Ca 0.84 0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 59.19 1lxf h GLU 15 Cb 2.89 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 32.25 1lxf h GLU 15 CO -0.34 -0.39 -0.00 -0.56 -1.00 0.00 0.00 179.01 176.72 1lxf h GLN 16 N -0.61 0.60 -0.97 2.33 -0.00 -0.88 -2.46 115.11 113.12 1lxf h GLN 16 Ca -0.00 -0.14 0.11 0.00 -0.00 0.00 0.00 58.65 58.61 1lxf h GLN 16 Cb 0.62 -0.08 -0.08 0.00 -0.00 0.00 0.00 27.48 27.94 1lxf h GLN 16 CO -0.25 0.63 0.61 0.87 -0.00 0.00 0.00 178.83 180.68 1lxf h LYS 17 N 0.57 0.96 0.00 0.06 1.79 -0.57 -1.39 116.57 118.00 1lxf h LYS 17 Ca 0.12 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1lxf h LYS 17 Cb 0.37 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1lxf h LYS 17 CO 0.01 0.64 0.00 0.09 -1.08 0.00 0.00 179.45 179.11 1lxf n ASN 18 N -4.62 0.00 -0.68 0.86 3.02 0.10 -0.60 115.26 113.35 1lxf n ASN 18 Ca 0.17 0.81 0.51 0.00 -0.03 0.00 0.00 54.58 56.04 1lxf n ASN 18 Cb 0.31 -0.37 0.78 0.00 -0.61 0.00 0.00 39.78 39.89 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 -1.60 -0.00 0.06 3.52 0.28 -1.17 -0.34 120.64 121.39 1lxf n GLU 19 Ca 0.00 1.03 -0.03 0.00 -0.16 0.00 0.00 57.16 58.00 1lxf n GLU 19 Cb 0.00 -2.37 -0.01 0.00 1.43 0.00 0.00 31.44 30.48 1lxf n GLU 19 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 1lxf h PHE 20 N 0.00 -0.18 -0.84 -1.84 0.04 -0.96 -3.28 116.94 109.89 1lxf h PHE 20 Ca 0.89 -0.00 0.21 0.00 2.80 0.00 0.00 57.97 61.87 1lxf h PHE 20 Cb 3.59 0.06 -0.14 0.00 2.20 0.00 0.00 35.95 41.66 1lxf h PHE 20 CO -0.00 -0.11 0.18 0.87 -0.60 0.00 0.00 178.31 178.65 1lxf h LYS 21 N -0.53 0.19 -0.85 1.51 1.57 0.18 0.81 116.57 119.46 1lxf h LYS 21 Ca -0.02 -0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.90 1lxf h LYS 21 Cb 0.15 -0.04 -0.15 0.00 0.08 0.00 0.00 32.23 32.26 1lxf h LYS 21 CO 0.03 0.13 -0.32 0.00 -0.57 0.00 0.00 179.45 178.72 1lxf h ALA 22 N 1.74 0.24 0.00 3.86 0.00 -1.08 2.20 119.26 126.22 1lxf h ALA 22 Ca 0.50 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.66 1lxf h ALA 22 Cb 0.97 0.84 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1lxf h ALA 22 CO -0.64 -0.57 -0.12 0.00 0.00 0.00 0.00 179.25 177.93 1lxf h ALA 23 N 1.43 1.27 0.00 0.00 0.00 -0.90 -0.53 119.26 120.53 1lxf h ALA 23 Ca 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1lxf h ALA 23 Cb 0.60 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1lxf h ALA 23 CO -0.88 0.14 -0.13 0.74 0.00 0.00 0.00 179.25 179.12 1lxf h PHE 24 N 0.00 0.00 -0.18 0.00 0.04 0.40 -2.42 116.94 114.78 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 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1lxf h PHE 24 CO 0.00 0.13 0.00 -0.25 -0.60 0.00 0.00 178.31 177.59 1lxf n ASP 25 N -3.23 1.11 -0.01 2.17 8.00 0.10 -3.57 116.55 121.12 1lxf n ASP 25 Ca 0.01 -1.87 -0.01 0.00 0.71 0.00 0.00 54.79 53.63 1lxf n ASP 25 Cb 0.42 -0.12 -0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 0.05 0.29 -0.45 0.53 2.08 -0.92 -3.49 119.36 117.46 1lxf n ILE 26 Ca 0.10 0.28 0.37 0.00 0.56 0.00 0.00 62.75 64.05 1lxf n ILE 26 Cb 0.19 -1.44 0.66 0.00 -0.75 0.00 0.00 39.64 38.31 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 -0.12 0.41 -0.41 1.39 0.04 -1.72 1.98 116.94 118.52 1lxf h PHE 27 Ca 0.00 0.02 -0.25 0.00 2.80 0.00 0.00 57.97 60.54 1lxf h PHE 27 Cb 0.12 -0.11 -0.16 0.00 2.20 0.00 0.00 35.95 38.01 1lxf h PHE 27 CO -0.05 -0.11 -0.20 1.33 -0.60 0.00 0.00 178.31 178.68 1lxf n VAL 28 N -4.52 2.58 0.46 -0.55 0.24 -1.23 -4.59 118.33 110.71 1lxf n VAL 28 Ca 0.35 -3.07 0.06 0.00 -2.04 0.00 0.00 64.34 59.63 1lxf n VAL 28 Cb 1.40 -0.49 0.26 0.00 -1.47 0.00 0.00 33.84 33.55 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 -1.05 0.00 -0.40 1.34 -0.00 0.67 -2.20 117.00 115.36 1lxf n LEU 29 Ca 0.35 0.41 0.00 0.00 -0.00 0.00 0.00 56.01 56.77 1lxf n LEU 29 Cb 0.96 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1lxf n LEU 29 CO 0.23 -0.25 0.26 0.61 -0.00 0.00 0.00 177.39 178.23 1lxf n GLY 30 N -0.32 -0.05 4.00 1.47 0.00 -1.26 -5.02 105.19 104.02 1lxf n GLY 30 Ca 0.04 -0.02 -0.23 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 s ALA 31 N -0.05 3.84 -0.04 4.61 0.00 -0.93 -5.04 121.76 124.15 1lxf s ALA 31 Ca 0.00 -1.90 -0.25 0.00 0.00 0.00 0.00 51.96 49.81 1lxf s ALA 31 Cb 0.00 -1.89 -0.22 0.00 0.00 0.00 0.00 23.12 21.02 1lxf s ALA 31 CO 0.00 -1.52 1.09 1.49 0.00 0.00 0.00 175.76 176.82 1lxf h GLU 32 N -0.54 0.13 0.00 0.00 4.81 -1.92 -3.46 114.58 113.61 1lxf h GLU 32 Ca -0.34 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1lxf h GLU 32 Cb 1.26 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1lxf h GLU 32 CO 0.37 0.81 0.00 -0.40 -0.73 0.00 0.00 179.01 179.06 1lxf n ASP 33 N -4.60 0.00 -2.65 1.04 5.68 -1.26 -5.05 116.55 109.71 1lxf n ASP 33 Ca -0.09 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.15 1lxf n ASP 33 Cb 0.43 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.50 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 2.52 1.08 3.69 6.12 0.00 -1.26 -4.97 105.19 112.37 1lxf n GLY 34 Ca 0.00 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.23 5.16 0.08 0.00 1.01 0.54 -4.55 121.20 123.21 1lxf s ILE 36 Ca 0.08 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.74 1lxf s ILE 36 Cb -0.12 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1lxf s ILE 36 CO 0.01 0.50 -0.20 -0.55 0.00 0.00 0.00 174.94 174.70 1lxf s SER 37 N -1.36 2.45 0.51 3.58 0.15 -1.26 -0.47 113.70 117.30 1lxf s SER 37 Ca 0.19 -0.63 0.45 0.00 0.70 0.00 0.00 55.95 56.66 1lxf s SER 37 Cb -0.12 -0.15 1.61 0.00 -1.71 0.00 0.00 66.02 65.65 1lxf s SER 37 CO 0.09 0.08 1.48 0.35 1.20 0.00 0.00 173.24 176.44 1lxf n THR 38 N 1.32 -0.04 -0.03 6.45 -2.24 -1.26 -0.03 114.28 118.45 1lxf n THR 38 Ca -0.19 1.46 -0.02 0.00 -2.27 0.00 0.00 64.05 63.04 1lxf n THR 38 Cb 0.54 -2.43 -0.01 0.00 -2.10 0.00 0.00 70.33 66.33 1lxf n THR 38 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1lxf h LYS 39 N 0.00 0.00 -1.63 -0.78 1.79 -1.91 -3.24 116.57 110.80 1lxf h LYS 39 Ca 0.88 0.00 0.50 0.00 -2.18 0.00 0.00 60.65 59.86 1lxf h LYS 39 Cb 3.44 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 33.99 1lxf h LYS 39 CO -0.08 0.00 1.13 0.93 -1.08 0.00 0.00 179.45 180.34 1lxf h GLU 40 N -0.51 0.02 0.53 3.15 3.07 -1.40 0.15 114.58 119.60 1lxf h GLU 40 Ca 0.00 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1lxf h GLU 40 Cb 0.17 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1lxf h GLU 40 CO 0.00 0.02 -0.25 1.25 -1.40 0.00 0.00 179.01 178.62 1lxf h LEU 41 N 0.02 -0.60 -1.82 1.33 5.85 -0.60 -3.07 115.31 116.43 1lxf h LEU 41 Ca 0.87 0.02 0.33 0.00 0.84 0.00 0.00 57.88 59.94 1lxf h LEU 41 Cb 3.17 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 44.31 1lxf h LEU 41 CO -0.21 -0.25 0.94 1.23 -0.34 0.00 0.00 178.44 179.81 1lxf h GLY 42 N -1.07 0.00 2.00 3.75 0.00 -0.74 1.46 103.07 108.47 1lxf h GLY 42 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1lxf h GLY 42 CO 0.12 0.00 -0.28 0.50 0.00 0.00 0.00 176.54 176.88 1lxf h LYS 43 N 0.00 0.00 0.01 4.80 1.57 -1.29 -2.53 116.57 119.13 1lxf h LYS 43 Ca 0.54 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.15 1lxf h LYS 43 Cb 2.42 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.71 1lxf h LYS 43 CO -0.01 0.28 -0.94 0.28 -0.57 0.00 0.00 179.45 178.49 1lxf h VAL 44 N 0.00 1.15 -0.98 0.50 2.07 0.20 -3.36 116.25 115.83 1lxf h VAL 44 Ca -0.00 -2.23 0.20 0.00 0.82 0.00 0.00 66.70 65.48 1lxf h VAL 44 Cb 0.59 2.55 -0.09 0.00 -1.52 0.00 0.00 31.29 32.82 1lxf h VAL 44 CO 0.04 0.41 0.61 0.24 0.02 0.00 0.00 177.57 178.89 1lxf h MET 45 N -0.96 0.61 -0.01 1.57 2.86 -1.41 0.62 114.93 118.20 1lxf h MET 45 Ca -0.26 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1lxf h MET 45 Cb 1.25 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1lxf h MET 45 CO -0.14 0.41 0.01 0.07 1.06 0.00 0.00 176.91 178.32 1lxf h ARG 46 N 0.63 0.00 -0.00 1.72 0.11 -0.85 0.29 114.38 116.28 1lxf h ARG 46 Ca 0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.62 1lxf h ARG 46 Cb 1.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1lxf h ARG 46 CO -0.30 0.00 -0.08 -1.33 0.10 0.00 0.00 179.97 178.36 1lxf n MET 47 N -3.95 0.58 0.00 0.08 0.00 0.21 -4.47 117.12 109.58 1lxf n MET 47 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.53 1lxf n MET 47 Cb 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.82 1lxf n MET 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1lxf n LEU 48 N -1.09 0.22 -1.15 4.03 4.32 0.99 -5.01 117.00 119.31 1lxf n LEU 48 Ca 0.14 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 56.08 1lxf n LEU 48 Cb 0.26 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.03 1lxf n LEU 48 CO 0.24 0.00 0.34 0.61 -1.22 0.00 0.00 177.39 177.36 1lxf n GLY 49 N 2.76 0.54 3.64 -0.72 0.00 -1.12 -5.12 105.19 105.18 1lxf n GLY 49 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 0.02 0.52 -0.64 1.61 -0.21 -1.17 -5.07 119.66 114.72 1lxf s GLN 50 Ca 0.01 0.81 -0.01 0.00 0.02 0.00 0.00 55.36 56.19 1lxf s GLN 50 Cb 0.06 0.16 0.16 0.00 1.00 0.00 0.00 33.01 34.39 1lxf s GLN 50 CO -0.02 -0.09 0.45 1.21 -2.12 0.00 0.00 175.29 174.72 1lxf s ASN 51 N 1.06 5.11 0.71 5.90 2.47 -1.26 -1.61 114.94 127.32 1lxf s ASN 51 Ca -0.06 -3.07 0.00 0.00 0.42 0.00 0.00 52.86 50.16 1lxf s ASN 51 Cb -0.04 -1.80 0.00 0.00 -1.45 0.00 0.00 41.25 37.95 1lxf s ASN 51 CO -0.13 -0.30 0.00 -0.81 -3.72 0.00 0.00 177.10 172.15 1lxf n PRO 52 N 3.16 0.34 -4.29 0.43 -0.04 -1.26 -5.02 135.00 128.30 1lxf n PRO 52 Ca 0.10 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.31 1lxf n PRO 52 Cb 0.36 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.76 1lxf n PRO 52 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1lxf n THR 53 N -1.50 0.00 1.66 0.52 -2.24 -1.26 -4.94 114.28 106.51 1lxf n THR 53 Ca 0.00 -2.25 0.15 0.00 -2.27 0.00 0.00 64.05 59.68 1lxf n THR 53 Cb 0.00 0.79 0.79 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.89 0.80 -0.02 -0.78 -0.04 -1.26 -2.48 135.00 130.33 1lxf n PRO 54 Ca -0.06 -0.12 -0.20 0.00 -0.04 0.00 0.00 63.50 63.08 1lxf n PRO 54 Cb 0.58 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 1lxf n PRO 54 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1lxf h GLU 55 N 0.30 0.16 0.17 0.54 4.39 -1.96 -3.14 114.58 115.04 1lxf h GLU 55 Ca 0.00 -0.28 -0.26 0.00 0.34 0.00 0.00 59.36 59.16 1lxf h GLU 55 Cb 0.20 0.10 0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1lxf h GLU 55 CO 0.00 1.13 -1.22 0.93 -1.16 0.00 0.00 179.01 178.69 1lxf h GLU 56 N -0.58 0.36 -0.75 2.33 5.08 -1.98 -3.33 114.58 115.72 1lxf h GLU 56 Ca -0.22 -0.62 0.07 0.00 -1.00 0.00 0.00 59.36 57.59 1lxf h GLU 56 Cb 1.51 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.93 1lxf h GLU 56 CO 0.01 1.30 0.43 -0.07 -1.00 0.00 0.00 179.01 179.68 1lxf h LEU 57 N -0.17 0.63 -0.90 1.33 3.38 -1.68 -1.64 115.31 116.25 1lxf h LEU 57 Ca -0.23 0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.00 1lxf h LEU 57 Cb 1.85 -0.09 -0.16 0.00 0.09 0.00 0.00 40.66 42.35 1lxf h LEU 57 CO 0.17 0.39 -0.01 -0.61 0.09 0.00 0.00 178.44 178.47 1lxf h GLN 58 N 0.76 0.05 -0.54 1.13 5.75 -1.65 0.81 115.11 121.41 1lxf h GLN 58 Ca 0.34 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.87 1lxf h GLN 58 Cb 0.24 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 1lxf h GLN 58 CO -0.20 0.03 0.31 1.49 -2.65 0.00 0.00 178.83 177.81 1lxf h GLU 59 N 0.05 0.59 -0.28 1.69 4.57 -1.45 0.55 114.58 120.30 1lxf h GLU 59 Ca 0.52 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.74 1lxf h GLU 59 Cb 0.98 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 1lxf h GLU 59 CO -0.84 0.39 0.35 0.52 -1.18 0.00 0.00 179.01 178.25 1lxf h MET 60 N 0.61 0.00 0.19 1.92 2.86 0.69 0.12 114.93 121.32 1lxf h MET 60 Ca 0.23 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.58 1lxf h MET 60 Cb 0.07 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.77 1lxf h MET 60 CO -0.12 0.00 -1.23 0.82 1.06 0.00 0.00 176.91 177.44 1lxf h ILE 61 N 0.00 1.35 0.00 -1.22 1.08 -0.22 -3.18 117.51 115.32 1lxf h ILE 61 Ca 0.13 -2.59 0.00 0.00 -0.39 0.00 0.00 64.86 62.01 1lxf h ILE 61 Cb 0.83 3.01 0.00 0.00 -3.07 0.00 0.00 36.82 37.60 1lxf h ILE 61 CO -0.00 0.77 0.23 0.44 -0.69 0.00 0.00 178.15 178.90 1lxf h ASP 62 N 0.02 0.00 1.10 1.72 3.32 -0.16 1.97 116.42 124.39 1lxf h ASP 62 Ca -0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1lxf h ASP 62 Cb 1.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.51 1lxf h ASP 62 CO 0.23 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.13 1lxf n GLU 63 N -2.93 0.09 0.00 3.56 -0.58 -1.07 -4.03 120.64 115.68 1lxf n GLU 63 Ca -0.02 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1lxf n GLU 63 Cb 0.28 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1lxf n GLU 63 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1lxf n VAL 64 N -1.77 0.00 -1.37 2.62 0.24 0.33 -4.89 118.33 113.49 1lxf n VAL 64 Ca 0.06 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.96 1lxf n VAL 64 Cb 0.35 -0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 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 -1.82 2.68 0.08 -1.34 8.00 0.59 -4.58 116.55 120.16 1lxf n ASP 65 Ca 0.00 -2.69 -0.08 0.00 0.71 0.00 0.00 54.79 52.73 1lxf n ASP 65 Cb 0.34 -1.26 0.02 0.00 -0.02 0.00 0.00 41.12 40.20 1lxf n ASP 65 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1lxf h GLU 66 N 8.28 0.21 0.00 -1.24 5.08 -1.84 -3.13 114.58 121.94 1lxf h GLU 66 Ca 0.38 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1lxf h GLU 66 Cb 0.73 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1lxf h GLU 66 CO 1.79 0.91 -0.48 0.38 -1.00 0.00 0.00 179.01 180.61 1lxf h ASP 67 N 0.13 0.00 0.00 1.42 2.03 -1.98 -3.47 116.42 114.54 1lxf h ASP 67 Ca -0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 1lxf h ASP 67 Cb 1.41 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.91 1lxf h ASP 67 CO 0.12 0.18 0.00 0.61 -1.03 0.00 0.00 179.24 179.13 1lxf n GLY 68 N 1.18 0.79 0.44 7.15 0.00 -1.18 -4.94 105.19 108.63 1lxf n GLY 68 Ca 0.01 -0.09 0.25 0.00 0.00 0.00 0.00 46.02 46.20 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 0.11 0.00 1.61 4.64 -1.92 -3.45 113.55 114.55 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 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1lxf h SER 69 CO 0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1lxf n GLY 70 N -1.65 0.67 3.62 -0.77 0.00 -1.26 -5.04 105.19 100.75 1lxf n GLY 70 Ca 0.18 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 0.00 -0.34 2.61 -4.23 -1.26 -4.72 115.64 105.70 1lxf s THR 71 Ca 0.00 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1lxf s THR 71 Cb 0.00 -2.58 0.11 0.00 1.34 0.00 0.00 72.50 71.37 1lxf s THR 71 CO 0.00 0.00 0.12 -0.69 -0.54 0.00 0.00 174.62 173.51 1lxf s VAL 72 N -3.10 1.22 1.08 2.29 1.01 0.39 -4.56 120.40 118.73 1lxf s VAL 72 Ca 0.23 -1.80 -0.17 0.00 0.00 0.00 0.00 61.98 60.24 1lxf s VAL 72 Cb -0.02 -1.91 0.24 0.00 0.00 0.00 0.00 36.38 34.69 1lxf s VAL 72 CO 0.15 -0.71 1.17 1.51 0.00 0.00 0.00 175.10 177.21 1lxf s ASP 73 N 1.23 1.99 0.44 3.32 1.47 -1.25 -0.34 116.67 123.53 1lxf s ASP 73 Ca 0.12 0.62 0.25 0.00 1.18 0.00 0.00 52.55 54.71 1lxf s ASP 73 Cb -0.19 -0.88 1.35 0.00 -0.34 0.00 0.00 42.92 42.86 1lxf s ASP 73 CO -0.17 -3.46 1.73 0.15 0.68 0.00 0.00 175.17 174.11 1lxf h PHE 74 N -2.13 0.00 0.00 2.11 3.04 -1.86 -1.58 116.94 116.52 1lxf h PHE 74 Ca -0.46 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.49 1lxf h PHE 74 Cb 1.29 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.80 1lxf h PHE 74 CO -1.36 0.00 0.00 -0.25 -2.02 0.00 0.00 178.31 174.68 1lxf n ASP 75 N -2.45 0.00 -0.20 0.41 9.92 -1.26 -3.52 116.55 119.45 1lxf n ASP 75 Ca -0.02 0.00 0.29 0.00 -0.53 0.00 0.00 54.79 54.54 1lxf n ASP 75 Cb 0.17 0.00 0.58 0.00 -0.64 0.00 0.00 41.12 41.23 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 -0.60 -1.24 4.11 -1.91 0.95 114.58 115.89 1lxf h GLU 76 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1lxf h GLU 76 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1lxf h GLU 76 CO 0.00 0.00 0.21 0.35 0.07 0.00 0.00 179.01 179.64 1lxf h PHE 77 N 0.00 0.94 0.05 2.06 3.04 -1.44 -0.43 116.94 121.16 1lxf h PHE 77 Ca 0.47 -0.08 -0.00 0.00 3.98 0.00 0.00 57.97 62.33 1lxf h PHE 77 Cb 2.52 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 40.76 1lxf h PHE 77 CO 0.00 0.76 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.96 1lxf h LEU 78 N 0.84 -0.06 -0.95 0.59 -0.00 0.91 -3.14 115.31 113.49 1lxf h LEU 78 Ca 0.20 0.00 0.26 0.00 -0.00 0.00 0.00 57.88 58.34 1lxf h LEU 78 Cb 0.25 0.02 -0.17 0.00 -0.00 0.00 0.00 40.66 40.75 1lxf h LEU 78 CO -0.01 -0.03 0.07 0.58 -0.00 0.00 0.00 178.44 179.05 1lxf h VAL 79 N -0.10 0.09 0.00 1.22 2.07 -1.61 -0.56 116.25 117.36 1lxf h VAL 79 Ca -0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1lxf h VAL 79 Cb 0.06 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1lxf h VAL 79 CO 0.01 0.01 0.00 0.80 0.02 0.00 0.00 177.57 178.41 1lxf n MET 80 N -5.44 0.00 0.06 1.57 0.00 -0.17 0.16 117.12 113.31 1lxf n MET 80 Ca 0.22 0.89 -0.04 0.00 -0.00 0.00 0.00 57.70 58.77 1lxf n MET 80 Cb 0.74 -1.34 -0.02 0.00 0.00 0.00 0.00 33.22 32.60 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 -0.22 -1.74 2.12 2.07 -1.08 0.42 114.93 116.50 1lxf h MET 81 Ca 0.00 0.02 0.50 0.00 -2.07 0.00 0.00 59.70 58.15 1lxf h MET 81 Cb 0.00 0.05 -0.07 0.00 -1.87 0.00 0.00 31.60 29.71 1lxf h MET 81 CO 0.00 -0.15 1.33 0.28 1.07 0.00 0.00 176.91 179.44 1lxf n VAL 82 N -3.09 0.00 -0.03 -2.22 0.31 -0.80 0.25 118.33 112.75 1lxf n VAL 82 Ca -0.03 1.39 -0.21 0.00 -0.01 0.00 0.00 64.34 65.48 1lxf n VAL 82 Cb 0.11 -2.34 -0.13 0.00 -0.91 0.00 0.00 33.84 30.57 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 0.00 0.16 0.13 5.55 2.43 0.30 -3.33 114.38 119.61 1lxf h ARG 83 Ca 0.82 -0.27 -0.33 0.00 -0.81 0.00 0.00 59.98 59.39 1lxf h ARG 83 Cb 3.48 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 33.13 1lxf h ARG 83 CO -0.01 1.13 -1.72 0.00 -1.51 0.00 0.00 179.97 177.86 1lxf n MET 85 N -3.45 0.02 -0.14 0.00 0.00 0.70 -1.41 117.12 112.84 1lxf n MET 85 Ca -0.22 0.39 0.02 0.00 0.00 0.00 0.00 57.70 57.89 1lxf n MET 85 Cb 1.05 -1.56 0.03 0.00 0.00 0.00 0.00 33.22 32.75 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 -1.60 1.04 -3.24 3.17 5.02 -1.24 -5.01 118.16 116.30 1lxf n LYS 86 Ca 0.02 -1.37 0.00 0.00 -2.02 0.00 0.00 58.31 54.94 1lxf n LYS 86 Cb 0.10 -0.86 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 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 -0.47 0.00 -3.39 4.39 8.00 -0.50 -5.00 116.55 119.59 1lxf n ASP 87 Ca 0.04 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.37 1lxf n ASP 87 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.56 1lxf n ASP 87 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1lxf s ASP 88 N -4.00 1.18 0.00 -2.24 1.01 -1.25 -3.94 116.67 107.43 1lxf s ASP 88 Ca 0.00 -1.59 0.12 0.00 0.71 0.00 0.00 52.55 51.79 1lxf s ASP 88 Cb 0.00 0.59 0.10 0.00 1.01 0.00 0.00 42.92 44.62 1lxf s ASP 88 CO 0.00 -1.15 0.88 -0.24 0.21 0.00 0.00 175.17 174.87