#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 5.12 0.10 3.17 9.92 -1.26 -4.76 116.55 128.85 1lxf n ASP 2 Ca 0.00 -3.74 -0.02 0.00 -0.53 0.00 0.00 54.79 50.50 1lxf n ASP 2 Cb 0.00 -0.52 0.21 0.00 -0.64 0.00 0.00 41.12 40.16 1lxf n ASP 2 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1lxf h ASP 3 N 2.56 0.21 -0.67 -2.24 1.82 -2.07 -2.83 116.42 113.20 1lxf h ASP 3 Ca 0.35 -0.10 0.19 0.00 -0.39 0.00 0.00 57.03 57.08 1lxf h ASP 3 Cb 0.90 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.82 1lxf h ASP 3 CO 0.92 0.65 0.67 0.16 -1.61 0.00 0.00 179.24 180.03 1lxf h ILE 4 N 0.16 0.30 0.10 2.25 -2.65 -2.03 0.42 117.51 116.06 1lxf h ILE 4 Ca 0.01 0.00 -0.33 0.00 1.03 0.00 0.00 64.86 65.57 1lxf h ILE 4 Cb 0.89 0.48 -0.02 0.00 -2.05 0.00 0.00 36.82 36.12 1lxf h ILE 4 CO 0.07 0.00 -1.77 1.88 0.03 0.00 0.00 178.15 178.36 1lxf h TYR 5 N 0.00 0.39 -0.70 0.16 0.05 -1.90 -3.36 116.97 111.60 1lxf h TYR 5 Ca 0.32 -0.29 0.14 0.00 0.05 0.00 0.00 58.73 58.95 1lxf h TYR 5 Cb 1.65 -0.02 -0.13 0.00 1.01 0.00 0.00 36.73 39.25 1lxf h TYR 5 CO 0.00 1.48 -0.22 0.87 -1.05 0.00 0.00 178.16 179.24 1lxf h LYS 6 N 0.06 -0.04 -0.63 4.88 1.79 -0.18 0.93 116.57 123.38 1lxf h LYS 6 Ca -0.33 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.23 1lxf h LYS 6 Cb 2.03 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 32.62 1lxf h LYS 6 CO 0.12 -0.02 0.26 0.00 -1.08 0.00 0.00 179.45 178.72 1lxf h ALA 7 N 1.55 0.83 0.02 3.86 0.00 -1.67 0.80 119.26 124.65 1lxf h ALA 7 Ca 0.32 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1lxf h ALA 7 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1lxf h ALA 7 CO -0.74 -0.16 -0.01 0.00 0.00 0.00 0.00 179.25 178.35 1lxf h ALA 8 N 1.42 -0.03 0.00 0.00 0.00 -0.58 -1.92 119.26 118.15 1lxf h ALA 8 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1lxf h ALA 8 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1lxf h ALA 8 CO -0.30 -0.32 0.00 0.28 0.00 0.00 0.00 179.25 178.91 1lxf n VAL 9 N -4.92 0.96 0.05 0.00 0.31 0.28 -1.00 118.33 114.01 1lxf n VAL 9 Ca -0.08 0.53 -0.01 0.00 -0.01 0.00 0.00 64.34 64.76 1lxf n VAL 9 Cb 0.21 -1.50 -0.07 0.00 -0.91 0.00 0.00 33.84 31.56 1lxf n VAL 9 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1lxf h GLU 10 N 0.00 0.00 -0.65 5.55 4.39 0.10 -3.32 114.58 120.65 1lxf h GLU 10 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1lxf h GLU 10 Cb 0.15 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1lxf h GLU 10 CO 0.00 0.43 0.41 1.96 -1.16 0.00 0.00 179.01 180.66 1lxf h GLN 11 N 0.00 0.86 -6.16 2.33 1.08 -0.29 -3.41 115.11 109.52 1lxf h GLN 11 Ca -0.13 -0.06 -0.56 0.00 -1.45 0.00 0.00 58.65 56.44 1lxf h GLN 11 Cb 1.63 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 28.88 1lxf h GLN 11 CO 0.06 0.59 1.37 -0.51 -0.95 0.00 0.00 178.83 179.39 1lxf s LEU 12 N -10.11 3.91 0.80 1.46 1.43 -1.21 -4.96 118.68 110.01 1lxf s LEU 12 Ca -0.13 2.26 -0.12 0.00 -1.03 0.00 0.00 54.13 55.11 1lxf s LEU 12 Cb 0.14 -3.52 0.07 0.00 0.03 0.00 0.00 46.19 42.91 1lxf s LEU 12 CO 0.77 -1.53 1.14 0.42 0.23 0.00 0.00 176.35 177.37 1lxf s THR 13 N 6.49 2.47 0.58 5.49 -4.23 -1.26 -4.79 115.64 120.39 1lxf s THR 13 Ca 0.95 0.15 0.28 0.00 -1.18 0.00 0.00 61.69 61.89 1lxf s THR 13 Cb -0.38 -3.08 0.37 0.00 1.34 0.00 0.00 72.50 70.76 1lxf s THR 13 CO 0.38 -0.20 2.01 -0.33 -0.54 0.00 0.00 174.62 175.95 1lxf h GLU 14 N -1.05 0.00 0.69 3.99 5.08 -1.96 -1.07 114.58 120.26 1lxf h GLU 14 Ca -0.47 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 1lxf h GLU 14 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1lxf h GLU 14 CO 0.64 0.00 -0.37 0.93 -1.00 0.00 0.00 179.01 179.21 1lxf h GLU 15 N 0.00 -0.95 -0.17 2.33 5.08 -2.00 -1.70 114.58 117.17 1lxf h GLU 15 Ca 0.15 0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 1lxf h GLU 15 Cb 0.79 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1lxf h GLU 15 CO -0.00 -0.63 -0.46 -0.56 -1.00 0.00 0.00 179.01 176.35 1lxf h GLN 16 N -0.98 0.44 0.01 2.33 -0.00 -1.73 -3.21 115.11 111.97 1lxf h GLN 16 Ca -0.09 -0.24 0.03 0.00 -0.00 0.00 0.00 58.65 58.35 1lxf h GLN 16 Cb 0.77 0.01 -0.05 0.00 -0.00 0.00 0.00 27.48 28.22 1lxf h GLN 16 CO 0.13 0.82 -0.35 0.87 -0.00 0.00 0.00 178.83 180.29 1lxf h LYS 17 N 0.36 -0.50 0.00 0.06 1.79 -1.09 -1.52 116.57 115.67 1lxf h LYS 17 Ca 0.02 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1lxf h LYS 17 Cb 0.95 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1lxf h LYS 17 CO 0.08 -0.33 0.00 0.09 -1.08 0.00 0.00 179.45 178.21 1lxf n ASN 18 N -5.43 0.00 -0.49 0.86 3.02 -0.65 0.31 115.26 112.88 1lxf n ASN 18 Ca -0.05 0.92 0.43 0.00 -0.03 0.00 0.00 54.58 55.85 1lxf n ASN 18 Cb 0.34 -0.42 0.69 0.00 -0.61 0.00 0.00 39.78 39.78 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 0.00 0.09 3.52 4.11 -1.57 0.74 114.58 121.46 1lxf h GLU 19 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1lxf h GLU 19 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1lxf h GLU 19 CO 0.00 0.00 -0.04 0.35 0.07 0.00 0.00 179.01 179.39 1lxf h PHE 20 N 0.00 -0.11 -0.72 2.06 3.04 0.93 -3.30 116.94 118.84 1lxf h PHE 20 Ca 0.74 -0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.83 1lxf h PHE 20 Cb 3.29 0.04 -0.10 0.00 2.56 0.00 0.00 35.95 41.74 1lxf h PHE 20 CO 0.00 0.41 0.21 0.87 -2.02 0.00 0.00 178.31 177.78 1lxf h LYS 21 N -0.88 0.32 -0.76 1.11 1.57 0.44 -0.72 116.57 117.64 1lxf h LYS 21 Ca -0.01 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1lxf h LYS 21 Cb 0.57 -0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.68 1lxf h LYS 21 CO 0.02 0.21 -0.35 0.00 -0.57 0.00 0.00 179.45 178.76 1lxf h ALA 22 N 1.57 0.07 0.00 3.86 0.00 -1.33 1.55 119.26 124.98 1lxf h ALA 22 Ca 0.40 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.50 1lxf h ALA 22 Cb 0.65 0.86 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1lxf h ALA 22 CO -0.46 -0.64 -0.13 0.00 0.00 0.00 0.00 179.25 178.03 1lxf h ALA 23 N 1.20 1.16 -0.02 0.00 0.00 -1.24 -1.84 119.26 118.52 1lxf h ALA 23 Ca 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1lxf h ALA 23 Cb 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1lxf h ALA 23 CO -0.81 0.16 -0.14 0.74 0.00 0.00 0.00 179.25 179.20 1lxf h PHE 24 N 0.00 0.03 0.00 0.00 0.04 0.31 0.25 116.94 117.56 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 0.44 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1lxf h PHE 24 CO 0.00 0.17 0.00 -0.25 -0.60 0.00 0.00 178.31 177.63 1lxf n ASP 25 N -4.35 0.00 -0.01 2.17 9.92 -0.64 -3.14 116.55 120.49 1lxf n ASP 25 Ca -0.02 -1.25 -0.02 0.00 -0.53 0.00 0.00 54.79 52.97 1lxf n ASP 25 Cb 0.22 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.69 1lxf n ASP 25 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1lxf n ILE 26 N -0.87 0.17 0.27 0.53 2.08 0.38 -3.72 119.36 118.19 1lxf n ILE 26 Ca 0.18 -0.08 0.13 0.00 0.56 0.00 0.00 62.75 63.54 1lxf n ILE 26 Cb 0.08 -0.70 0.76 0.00 -0.75 0.00 0.00 39.64 39.03 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 0.00 -0.55 1.39 -1.00 -0.69 -2.97 116.94 113.12 1lxf h PHE 27 Ca -0.07 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.41 1lxf h PHE 27 Cb 1.12 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.27 1lxf h PHE 27 CO 0.00 0.09 -1.08 1.33 -1.61 0.00 0.00 178.31 177.04 1lxf n VAL 28 N -3.77 1.43 1.51 -0.55 0.24 -1.19 -4.49 118.33 111.52 1lxf n VAL 28 Ca -0.02 -3.14 0.13 0.00 -2.04 0.00 0.00 64.34 59.26 1lxf n VAL 28 Cb 0.19 0.87 0.73 0.00 -1.47 0.00 0.00 33.84 34.17 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 -0.56 0.00 -0.19 1.34 -0.00 -1.12 -2.97 117.00 113.49 1lxf n LEU 29 Ca 0.13 0.06 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1lxf n LEU 29 Cb 0.82 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 44.18 1lxf n LEU 29 CO 0.14 -0.01 0.25 0.61 -0.00 0.00 0.00 177.39 178.38 1lxf n GLY 30 N 0.66 -1.58 3.93 1.47 0.00 -1.26 -5.04 105.19 103.36 1lxf n GLY 30 Ca 0.18 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.02 3.58 0.53 4.61 0.00 -1.16 -4.96 121.76 124.34 1lxf s ALA 31 Ca 0.00 -0.77 0.23 0.00 0.00 0.00 0.00 51.96 51.43 1lxf s ALA 31 Cb 0.00 -2.31 1.38 0.00 0.00 0.00 0.00 23.12 22.19 1lxf s ALA 31 CO 0.00 -0.21 2.04 1.49 0.00 0.00 0.00 175.76 179.08 1lxf h GLU 32 N 0.48 0.00 0.00 0.00 4.81 -1.89 -3.43 114.58 114.55 1lxf h GLU 32 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1lxf h GLU 32 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1lxf h GLU 32 CO 0.61 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.49 1lxf n ASP 33 N -4.38 -0.13 -1.96 1.04 5.68 -1.26 -5.01 116.55 110.53 1lxf n ASP 33 Ca 0.06 0.03 -0.01 0.00 -0.50 0.00 0.00 54.79 54.37 1lxf n ASP 33 Cb 0.45 0.51 0.03 0.00 -1.14 0.00 0.00 41.12 40.98 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 -0.95 1.30 3.70 6.12 0.00 -1.26 -4.96 105.19 109.14 1lxf n GLY 34 Ca 0.00 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 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 1.01 4.56 1.04 0.00 1.01 0.24 -4.59 121.20 124.47 1lxf s ILE 36 Ca 0.28 -3.23 -0.13 0.00 0.00 0.00 0.00 60.65 57.57 1lxf s ILE 36 Cb -0.16 -3.85 0.21 0.00 0.01 0.00 0.00 42.46 38.67 1lxf s ILE 36 CO 0.11 -1.01 1.09 -0.94 0.00 0.00 0.00 174.94 174.19 1lxf s SER 37 N 0.75 2.27 0.16 3.58 1.04 -1.26 -2.63 113.70 117.61 1lxf s SER 37 Ca 0.22 1.17 -0.16 0.00 0.48 0.00 0.00 55.95 57.66 1lxf s SER 37 Cb -0.13 -1.83 0.04 0.00 0.10 0.00 0.00 66.02 64.20 1lxf s SER 37 CO -0.08 -3.35 1.81 0.71 0.98 0.00 0.00 173.24 173.31 1lxf h THR 38 N -2.04 1.08 0.00 2.02 1.35 -1.92 -0.76 112.91 112.63 1lxf h THR 38 Ca -0.56 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1lxf h THR 38 Cb 1.33 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1lxf h THR 38 CO 0.56 0.10 0.00 0.11 -0.25 0.00 0.00 175.52 176.04 1lxf h LYS 39 N 0.54 0.00 -0.20 4.72 1.57 -1.92 -3.01 116.57 118.28 1lxf h LYS 39 Ca 0.16 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.74 1lxf h LYS 39 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1lxf h LYS 39 CO -0.05 0.00 -0.68 1.49 -0.57 0.00 0.00 179.45 179.63 1lxf h GLU 40 N 0.00 0.79 0.00 3.15 4.22 -1.64 -3.15 114.58 117.95 1lxf h GLU 40 Ca 0.00 -0.58 -0.14 0.00 0.08 0.00 0.00 59.36 58.71 1lxf h GLU 40 Cb 0.87 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1lxf h GLU 40 CO 0.00 1.20 -0.68 1.25 -2.18 0.00 0.00 179.01 178.60 1lxf h LEU 41 N 0.57 0.00 -1.35 1.64 5.85 -1.18 -2.95 115.31 117.90 1lxf h LEU 41 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1lxf h LEU 41 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1lxf h LEU 41 CO 0.14 0.68 0.00 1.23 -0.34 0.00 0.00 178.44 180.15 1lxf h GLY 42 N 2.30 0.00 1.67 3.75 0.00 -1.48 -0.72 103.07 108.58 1lxf h GLY 42 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 1lxf h GLY 42 CO 0.09 0.00 -0.98 0.50 0.00 0.00 0.00 176.54 176.15 1lxf h LYS 43 N 0.00 0.00 0.00 4.80 1.57 -1.54 -3.29 116.57 118.11 1lxf h LYS 43 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1lxf h LYS 43 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1lxf h LYS 43 CO 0.00 0.60 -0.77 -0.24 -0.57 0.00 0.00 179.45 178.46 1lxf h VAL 44 N 0.00 1.24 -0.83 0.50 3.04 -1.30 -3.38 116.25 115.52 1lxf h VAL 44 Ca -0.07 -2.23 0.12 0.00 -1.01 0.00 0.00 66.70 63.51 1lxf h VAL 44 Cb 1.61 2.64 -0.13 0.00 -2.01 0.00 0.00 31.29 33.40 1lxf h VAL 44 CO 0.08 0.42 -0.43 0.24 -1.01 0.00 0.00 177.57 176.87 1lxf h MET 45 N -1.00 -0.08 -1.50 4.17 2.86 -1.40 0.98 114.93 118.96 1lxf h MET 45 Ca -0.21 0.01 0.48 0.00 -2.06 0.00 0.00 59.70 57.91 1lxf h MET 45 Cb 1.18 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 32.74 1lxf h MET 45 CO -0.13 -0.05 1.01 0.07 1.06 0.00 0.00 176.91 178.87 1lxf h ARG 46 N -0.08 0.04 0.04 1.72 0.11 -1.15 0.36 114.38 115.42 1lxf h ARG 46 Ca 0.26 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.33 1lxf h ARG 46 Cb 0.55 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.62 1lxf h ARG 46 CO -0.86 0.03 -0.02 0.52 0.10 0.00 0.00 179.97 179.73 1lxf h MET 47 N 0.04 -0.06 -1.02 0.08 2.86 0.80 -3.23 114.93 114.40 1lxf h MET 47 Ca 0.85 0.00 0.30 0.00 -2.06 0.00 0.00 59.70 58.79 1lxf h MET 47 Cb 2.94 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 34.57 1lxf h MET 47 CO -0.30 0.58 0.94 -0.07 1.06 0.00 0.00 176.91 179.12 1lxf h LEU 48 N -0.89 0.00 0.00 1.22 4.07 0.35 -3.42 115.31 116.64 1lxf h LEU 48 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1lxf h LEU 48 Cb 0.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.40 1lxf h LEU 48 CO 0.01 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 1lxf n GLY 49 N -1.69 1.95 2.95 0.83 0.00 -0.77 -5.11 105.19 103.35 1lxf n GLY 49 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.05 0.31 -0.79 1.61 -0.21 -0.98 -5.02 119.66 114.53 1lxf s GLN 50 Ca 0.00 -0.28 -0.00 0.00 0.02 0.00 0.00 55.36 55.10 1lxf s GLN 50 Cb 0.00 -0.22 0.20 0.00 1.00 0.00 0.00 33.01 33.98 1lxf s GLN 50 CO 0.00 0.05 0.64 1.21 -2.12 0.00 0.00 175.29 175.07 1lxf s ASN 51 N -0.47 5.55 0.99 5.90 3.04 -1.26 -1.04 114.94 127.63 1lxf s ASN 51 Ca -0.02 -3.59 -0.01 0.00 0.04 0.00 0.00 52.86 49.28 1lxf s ASN 51 Cb -0.04 -1.83 0.01 0.00 -1.54 0.00 0.00 41.25 37.86 1lxf s ASN 51 CO -0.00 -0.19 0.07 -0.81 -3.04 0.00 0.00 177.10 173.13 1lxf n PRO 52 N 2.46 -0.06 -4.42 0.43 -0.04 -1.26 -5.06 135.00 127.06 1lxf n PRO 52 Ca 0.18 -0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 1lxf n PRO 52 Cb 0.36 -0.07 -0.10 0.00 -0.04 0.00 0.00 33.50 33.65 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 -1.13 0.76 -0.45 0.52 -4.23 -1.26 -5.05 115.64 104.80 1lxf s THR 53 Ca 0.04 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.78 1lxf s THR 53 Cb -0.00 -2.60 0.34 0.00 1.34 0.00 0.00 72.50 71.58 1lxf s THR 53 CO 0.03 0.00 1.61 1.55 -0.54 0.00 0.00 174.62 177.27 1lxf h PRO 54 N 2.10 0.00 0.00 3.99 0.13 -1.99 -1.94 132.00 134.29 1lxf h PRO 54 Ca -0.38 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.59 1lxf h PRO 54 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1lxf h PRO 54 CO 0.62 0.00 -1.13 0.93 -0.23 0.00 0.00 178.00 178.18 1lxf h GLU 55 N 0.00 0.00 0.00 0.86 4.39 -1.96 -3.19 114.58 114.68 1lxf h GLU 55 Ca 0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1lxf h GLU 55 Cb 0.99 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.60 1lxf h GLU 55 CO 0.00 0.41 -1.55 0.93 -1.16 0.00 0.00 179.01 177.64 1lxf h GLU 56 N 0.00 0.00 -0.04 2.33 5.08 -1.97 -3.37 114.58 116.61 1lxf h GLU 56 Ca -0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1lxf h GLU 56 Cb 1.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.81 1lxf h GLU 56 CO 0.06 0.49 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.49 1lxf h LEU 57 N 0.00 0.07 -0.98 1.33 3.38 -1.46 -2.97 115.31 114.68 1lxf h LEU 57 Ca -0.23 -0.32 0.31 0.00 0.09 0.00 0.00 57.88 57.73 1lxf h LEU 57 Cb 1.88 -0.02 -0.18 0.00 0.09 0.00 0.00 40.66 42.44 1lxf h LEU 57 CO 0.08 0.38 0.21 -0.61 0.09 0.00 0.00 178.44 178.58 1lxf h GLN 58 N -0.24 0.03 -0.96 1.13 5.75 -1.71 2.19 115.11 121.31 1lxf h GLN 58 Ca 0.01 -0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.58 1lxf h GLN 58 Cb 0.34 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.82 1lxf h GLN 58 CO 0.00 0.02 0.61 0.93 -2.65 0.00 0.00 178.83 177.74 1lxf h GLU 59 N 0.04 1.06 0.00 1.69 5.08 -1.69 0.56 114.58 121.31 1lxf h GLU 59 Ca 0.67 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 1lxf h GLU 59 Cb 1.52 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1lxf h GLU 59 CO -0.84 0.70 0.00 0.52 -1.00 0.00 0.00 179.01 178.39 1lxf h MET 60 N 1.09 0.00 0.09 2.33 2.86 0.36 -2.98 114.93 118.68 1lxf h MET 60 Ca 0.42 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.79 1lxf h MET 60 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1lxf h MET 60 CO -0.19 0.00 -1.42 0.82 1.06 0.00 0.00 176.91 177.18 1lxf h ILE 61 N 0.00 0.98 -1.41 -1.22 1.08 0.14 -3.34 117.51 113.75 1lxf h ILE 61 Ca 0.00 -2.35 0.41 0.00 -0.39 0.00 0.00 64.86 62.53 1lxf h ILE 61 Cb 0.44 2.63 -0.06 0.00 -3.07 0.00 0.00 36.82 36.76 1lxf h ILE 61 CO 0.00 0.66 1.02 -0.78 -0.69 0.00 0.00 178.15 178.36 1lxf h ASP 62 N -0.39 0.00 0.90 1.72 3.58 0.03 1.85 116.42 124.10 1lxf h ASP 62 Ca -0.32 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.09 1lxf h ASP 62 Cb 1.70 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.75 1lxf h ASP 62 CO 0.02 0.00 -0.43 -0.33 -2.88 0.00 0.00 179.24 175.61 1lxf h GLU 63 N 0.00 -1.16 0.00 0.28 5.08 -1.67 -3.14 114.58 113.97 1lxf h GLU 63 Ca 0.67 0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.96 1lxf h GLU 63 Cb 2.70 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 32.19 1lxf h GLU 63 CO -0.01 -0.77 -0.71 -0.39 -1.00 0.00 0.00 179.01 176.12 1lxf h VAL 64 N -1.23 1.25 0.00 3.13 -1.51 -0.90 -3.37 116.25 113.62 1lxf h VAL 64 Ca -0.12 -2.70 -0.32 0.00 -1.23 0.00 0.00 66.70 62.32 1lxf h VAL 64 Cb 0.93 2.57 0.01 0.00 -2.13 0.00 0.00 31.29 32.68 1lxf h VAL 64 CO 0.20 0.70 2.36 0.47 -1.23 0.00 0.00 177.57 180.08 1lxf n ASP 65 N -3.31 4.24 0.12 4.19 9.92 0.60 -4.28 116.55 128.03 1lxf n ASP 65 Ca 0.01 -2.27 0.12 0.00 -0.53 0.00 0.00 54.79 52.12 1lxf n ASP 65 Cb 0.81 -1.01 0.18 0.00 -0.64 0.00 0.00 41.12 40.46 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 6.52 0.00 0.00 -1.24 4.39 -1.74 -3.24 114.58 119.27 1lxf h GLU 66 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 1lxf h GLU 66 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1lxf h GLU 66 CO 1.37 0.00 -1.13 -0.40 -1.16 0.00 0.00 179.01 177.70 1lxf n ASP 67 N -2.54 0.83 -0.54 1.42 5.68 -1.26 -4.97 116.55 115.17 1lxf n ASP 67 Ca 0.03 -0.81 -0.03 0.00 -0.50 0.00 0.00 54.79 53.48 1lxf n ASP 67 Cb 0.49 1.11 0.00 0.00 -1.14 0.00 0.00 41.12 41.58 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 1.46 0.45 0.17 6.12 0.00 -1.22 -4.94 105.19 107.23 1lxf n GLY 68 Ca 0.03 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.13 0.00 0.00 1.61 4.64 -1.93 -3.47 113.55 114.26 1lxf h SER 69 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1lxf h SER 69 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1lxf h SER 69 CO 0.08 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 1lxf n GLY 70 N 0.75 1.89 3.26 -0.77 0.00 -1.26 -4.98 105.19 104.07 1lxf n GLY 70 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.80 0.02 -0.27 2.61 -4.23 -1.26 -4.42 115.64 105.29 1lxf s THR 71 Ca 0.00 -1.87 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 1lxf s THR 71 Cb 0.00 -2.35 0.03 0.00 1.34 0.00 0.00 72.50 71.52 1lxf s THR 71 CO 0.00 -0.08 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.27 1lxf s VAL 72 N -4.11 2.91 0.00 2.29 1.01 -1.08 -4.77 120.40 116.65 1lxf s VAL 72 Ca 0.33 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1lxf s VAL 72 Cb 0.06 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1lxf s VAL 72 CO 0.09 0.09 0.00 -0.90 0.00 0.00 0.00 175.10 174.38 1lxf n ASP 73 N 4.65 0.00 0.10 3.32 5.68 -1.22 0.82 116.55 129.89 1lxf n ASP 73 Ca -0.15 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.26 1lxf n ASP 73 Cb 0.46 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.54 1lxf n ASP 73 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1lxf h PHE 74 N -0.37 0.00 0.00 2.11 3.04 -1.96 -3.30 116.94 116.47 1lxf h PHE 74 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1lxf h PHE 74 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1lxf h PHE 74 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 178.31 176.04 1lxf n ASP 75 N -2.47 0.00 -0.37 0.41 8.00 -1.26 -3.69 116.55 117.17 1lxf n ASP 75 Ca 0.02 0.00 0.31 0.00 0.71 0.00 0.00 54.79 55.83 1lxf n ASP 75 Cb 0.50 0.00 0.57 0.00 -0.02 0.00 0.00 41.12 42.17 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 0.14 0.27 -1.24 4.11 -1.95 0.22 114.58 116.13 1lxf h GLU 76 Ca 0.00 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.43 1lxf h GLU 76 Cb 0.00 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1lxf h GLU 76 CO 0.00 0.09 -0.43 0.35 0.07 0.00 0.00 179.01 179.09 1lxf h PHE 77 N 0.14 -1.20 0.00 2.06 3.57 -1.75 -1.37 116.94 118.39 1lxf h PHE 77 Ca 0.80 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.32 1lxf h PHE 77 Cb 2.17 0.49 0.00 0.00 2.79 0.00 0.00 35.95 41.40 1lxf h PHE 77 CO -0.01 -0.56 0.00 1.28 -2.23 0.00 0.00 178.31 176.80 1lxf n LEU 78 N -5.49 0.00 -0.37 0.59 4.77 0.06 -2.45 117.00 114.11 1lxf n LEU 78 Ca -0.09 0.63 0.32 0.00 -0.03 0.00 0.00 56.01 56.84 1lxf n LEU 78 Cb 0.40 -0.13 0.54 0.00 -2.33 0.00 0.00 43.42 41.89 1lxf n LEU 78 CO 0.23 -0.13 0.97 0.52 -1.33 0.00 0.00 177.39 177.64 1lxf n VAL 79 N -1.07 -0.22 -0.35 4.08 0.31 -1.15 0.21 118.33 120.15 1lxf n VAL 79 Ca 0.00 1.47 0.11 0.00 -0.01 0.00 0.00 64.34 65.90 1lxf n VAL 79 Cb 0.00 -2.40 0.29 0.00 -0.91 0.00 0.00 33.84 30.81 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 0.80 -0.64 5.55 -1.53 -0.90 0.52 114.93 118.72 1lxf h MET 80 Ca 0.71 -0.05 0.19 0.00 -3.44 0.00 0.00 59.70 57.10 1lxf h MET 80 Cb 2.24 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 33.08 1lxf h MET 80 CO -0.40 0.53 0.51 0.00 0.14 0.00 0.00 176.91 177.69 1lxf h MET 81 N 0.82 0.00 0.00 0.39 -0.00 0.25 -2.14 114.93 114.25 1lxf h MET 81 Ca 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 60.22 1lxf h MET 81 Cb 0.75 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.35 1lxf h MET 81 CO -0.35 0.00 -0.24 0.28 -0.00 0.00 0.00 176.91 176.60 1lxf h VAL 82 N 0.00 0.64 -1.44 -0.10 2.07 -0.09 -2.52 116.25 114.80 1lxf h VAL 82 Ca 0.30 -1.54 0.46 0.00 0.82 0.00 0.00 66.70 66.74 1lxf h VAL 82 Cb 1.33 1.27 -0.10 0.00 -1.52 0.00 0.00 31.29 32.27 1lxf h VAL 82 CO -0.00 0.22 0.99 0.54 0.02 0.00 0.00 177.57 179.33 1lxf n ARG 83 N -4.66 -0.02 -0.08 1.57 1.74 -0.78 0.24 116.66 114.68 1lxf n ARG 83 Ca -0.08 1.04 -0.13 0.00 -0.77 0.00 0.00 57.85 57.91 1lxf n ARG 83 Cb 0.27 -2.19 -0.07 0.00 -1.02 0.00 0.00 32.46 29.45 1lxf n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lxf h MET 85 N -1.00 0.00 -0.00 0.00 2.86 -0.01 2.03 114.93 118.80 1lxf h MET 85 Ca -0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1lxf h MET 85 Cb 0.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.52 1lxf h MET 85 CO -0.09 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.51 1lxf n LYS 86 N -2.32 1.81 0.00 1.72 4.76 0.67 -4.72 118.16 120.08 1lxf n LYS 86 Ca 0.00 -2.26 0.00 0.00 -2.87 0.00 0.00 58.31 53.18 1lxf n LYS 86 Cb 0.15 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1lxf n LYS 86 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1lxf n ASP 87 N -1.15 0.00 -4.30 4.39 9.92 -0.66 -4.91 116.55 119.84 1lxf n ASP 87 Ca 0.11 0.00 -0.46 0.00 -0.53 0.00 0.00 54.79 53.91 1lxf n ASP 87 Cb 0.53 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.98 1lxf n ASP 87 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1lxf n ASP 88 N 0.00 -1.45 -0.55 -2.24 8.00 0.68 -4.66 116.55 116.33 1lxf n ASP 88 Ca 0.00 1.06 0.07 0.00 0.71 0.00 0.00 54.79 56.63 1lxf n ASP 88 Cb 0.00 -0.92 0.06 0.00 -0.02 0.00 0.00 41.12 40.24 1lxf n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61