#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 5.75 -1.26 -5.04 116.55 123.76 1lxf n ASP 2 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.62 1lxf n ASP 2 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.96 1lxf n ASP 2 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1lxf h ASP 3 N 0.00 0.03 -1.91 -1.12 3.32 -2.07 -3.28 116.42 111.39 1lxf h ASP 3 Ca 0.00 -0.89 0.56 0.00 0.02 0.00 0.00 57.03 56.72 1lxf h ASP 3 Cb 0.00 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.45 1lxf h ASP 3 CO 0.00 1.13 1.36 2.30 -1.72 0.00 0.00 179.24 182.31 1lxf n ILE 4 N -4.54 -0.03 0.06 0.35 -0.00 -1.26 0.22 119.36 114.15 1lxf n ILE 4 Ca -0.15 1.53 -0.21 0.00 -0.00 0.00 0.00 62.75 63.92 1lxf n ILE 4 Cb 0.54 -2.54 -0.13 0.00 -0.00 0.00 0.00 39.64 37.52 1lxf n ILE 4 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.55 178.43 1lxf h TYR 5 N 0.00 0.86 -0.95 4.28 0.05 -1.99 -3.31 116.97 115.91 1lxf h TYR 5 Ca 0.94 -0.53 0.22 0.00 0.05 0.00 0.00 58.73 59.40 1lxf h TYR 5 Cb 3.67 -0.07 -0.18 0.00 1.01 0.00 0.00 36.73 41.16 1lxf h TYR 5 CO -0.00 1.37 -0.14 1.63 -1.05 0.00 0.00 178.16 179.97 1lxf n LYS 6 N -3.95 -0.08 0.21 4.88 4.76 0.58 0.13 118.16 124.69 1lxf n LYS 6 Ca -0.13 1.46 -0.12 0.00 -2.87 0.00 0.00 58.31 56.65 1lxf n LYS 6 Cb 0.88 -2.23 -0.06 0.00 -1.84 0.00 0.00 35.03 31.78 1lxf n LYS 6 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1lxf h ALA 7 N 1.90 -1.04 -0.23 7.82 0.00 -1.63 1.15 119.26 127.23 1lxf h ALA 7 Ca 0.50 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.35 1lxf h ALA 7 Cb 0.88 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1lxf h ALA 7 CO -0.94 -1.05 0.26 0.00 0.00 0.00 0.00 179.25 177.52 1lxf h ALA 8 N -1.29 1.85 0.00 0.00 0.00 -0.94 0.66 119.26 119.54 1lxf h ALA 8 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1lxf h ALA 8 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1lxf h ALA 8 CO -0.01 -0.38 -0.46 0.28 0.00 0.00 0.00 179.25 178.68 1lxf h VAL 9 N 0.00 0.00 -0.00 0.00 2.07 0.22 -3.20 116.25 115.34 1lxf h VAL 9 Ca 0.11 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1lxf h VAL 9 Cb 0.63 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1lxf h VAL 9 CO -0.00 0.00 -0.34 -0.62 0.02 0.00 0.00 177.57 176.63 1lxf n GLU 10 N -2.61 0.12 0.04 1.57 -0.58 0.39 -3.83 120.64 115.74 1lxf n GLU 10 Ca 0.03 -0.06 -0.20 0.00 -0.42 0.00 0.00 57.16 56.51 1lxf n GLU 10 Cb 0.50 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.74 1lxf n GLU 10 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1lxf h GLN 11 N 0.14 0.37 -6.03 3.49 4.20 -1.38 -3.44 115.11 112.47 1lxf h GLN 11 Ca 0.00 -0.53 -0.60 0.00 0.06 0.00 0.00 58.65 57.58 1lxf h GLN 11 Cb 0.49 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1lxf h GLN 11 CO 0.00 1.22 1.45 1.28 -0.67 0.00 0.00 178.83 182.10 1lxf n LEU 12 N -4.11 3.20 -4.77 1.46 4.77 -1.25 -4.94 117.00 111.35 1lxf n LEU 12 Ca -0.13 0.32 -0.31 0.00 -0.03 0.00 0.00 56.01 55.87 1lxf n LEU 12 Cb 0.80 -1.51 0.09 0.00 -2.33 0.00 0.00 43.42 40.48 1lxf n LEU 12 CO 0.49 -0.59 0.70 0.42 -1.33 0.00 0.00 177.39 177.08 1lxf s THR 13 N 7.67 3.26 0.58 -5.08 -4.23 -1.26 -4.65 115.64 111.93 1lxf s THR 13 Ca 1.01 0.41 0.32 0.00 -1.18 0.00 0.00 61.69 62.24 1lxf s THR 13 Cb -0.43 -2.98 0.45 0.00 1.34 0.00 0.00 72.50 70.88 1lxf s THR 13 CO 0.38 -0.53 1.73 -0.33 -0.54 0.00 0.00 174.62 175.33 1lxf h GLU 14 N -1.15 0.00 0.00 3.99 4.39 -1.97 -0.94 114.58 118.91 1lxf h GLU 14 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1lxf h GLU 14 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1lxf h GLU 14 CO 0.54 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.78 1lxf n GLU 15 N -3.78 0.00 -0.07 2.33 1.02 -1.26 -1.30 120.64 117.58 1lxf n GLU 15 Ca 0.18 0.63 -0.12 0.00 -0.02 0.00 0.00 57.16 57.84 1lxf n GLU 15 Cb 1.09 -1.41 -0.06 0.00 -0.02 0.00 0.00 31.44 31.04 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 0.36 -1.13 3.49 4.15 -1.77 -2.89 115.11 117.32 1lxf h GLN 16 Ca 0.00 -0.13 0.42 0.00 0.77 0.00 0.00 58.65 59.71 1lxf h GLN 16 Cb 0.00 -0.02 -0.15 0.00 0.21 0.00 0.00 27.48 27.52 1lxf h GLN 16 CO 0.00 0.60 0.69 1.17 -1.93 0.00 0.00 178.83 179.36 1lxf n LYS 17 N -4.65 -0.04 0.00 1.69 3.00 -0.41 -0.53 118.16 117.21 1lxf n LYS 17 Ca -0.05 1.22 0.00 0.00 -0.00 0.00 0.00 58.31 59.49 1lxf n LYS 17 Cb 0.26 -2.31 0.00 0.00 0.00 0.00 0.00 35.03 32.98 1lxf n LYS 17 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1lxf n ASN 18 N -4.81 0.00 -0.65 3.14 3.02 -0.42 -2.72 115.26 112.82 1lxf n ASN 18 Ca 0.37 0.71 0.51 0.00 -0.03 0.00 0.00 54.58 56.13 1lxf n ASN 18 Cb 1.35 -0.37 0.79 0.00 -0.61 0.00 0.00 39.78 40.95 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 0.69 3.52 4.11 -1.19 0.32 114.58 122.04 1lxf h GLU 19 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 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 -0.38 0.35 0.07 0.00 0.00 179.01 179.05 1lxf h PHE 20 N 0.00 -0.99 -1.00 2.06 3.04 -0.69 -2.64 116.94 116.72 1lxf h PHE 20 Ca 0.88 -0.02 0.19 0.00 3.98 0.00 0.00 57.97 63.01 1lxf h PHE 20 Cb 3.63 0.34 -0.10 0.00 2.56 0.00 0.00 35.95 42.38 1lxf h PHE 20 CO 0.00 -0.58 0.61 0.87 -2.02 0.00 0.00 178.31 177.19 1lxf h LYS 21 N -0.98 0.70 -0.45 1.11 1.57 -0.16 -0.74 116.57 117.61 1lxf h LYS 21 Ca -0.09 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1lxf h LYS 21 Cb 0.77 -0.16 -0.10 0.00 0.08 0.00 0.00 32.23 32.83 1lxf h LYS 21 CO 0.13 0.46 -0.32 0.00 -0.57 0.00 0.00 179.45 179.15 1lxf h ALA 22 N 1.64 -0.13 0.00 3.86 0.00 -1.10 1.05 119.26 124.57 1lxf h ALA 22 Ca 0.57 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1lxf h ALA 22 Cb 0.94 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1lxf h ALA 22 CO -0.36 -0.71 0.00 0.00 0.00 0.00 0.00 179.25 178.19 1lxf h ALA 23 N 0.84 1.00 0.00 0.00 0.00 -0.84 -1.19 119.26 119.07 1lxf h ALA 23 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1lxf h ALA 23 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1lxf h ALA 23 CO -0.57 0.00 -0.37 0.35 0.00 0.00 0.00 179.25 178.66 1lxf h PHE 24 N 0.00 0.00 -0.14 0.00 3.04 0.16 -1.64 116.94 118.36 1lxf h PHE 24 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1lxf h PHE 24 Cb 0.23 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1lxf h PHE 24 CO 0.00 0.37 0.00 -0.25 -2.02 0.00 0.00 178.31 176.41 1lxf n ASP 25 N -3.85 1.02 -0.02 0.41 8.00 -0.45 -3.58 116.55 118.09 1lxf n ASP 25 Ca -0.01 -1.76 -0.05 0.00 0.71 0.00 0.00 54.79 53.68 1lxf n ASP 25 Cb 0.43 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.04 1.27 -0.26 0.53 2.08 -0.68 -3.70 119.36 118.56 1lxf n ILE 26 Ca 0.12 0.24 0.05 0.00 0.56 0.00 0.00 62.75 63.72 1lxf n ILE 26 Cb 0.20 -1.89 0.16 0.00 -0.75 0.00 0.00 39.64 37.36 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 -0.43 -0.09 -0.82 1.39 0.04 -1.53 0.17 116.94 115.67 1lxf h PHE 27 Ca -0.03 0.06 -0.58 0.00 2.80 0.00 0.00 57.97 60.22 1lxf h PHE 27 Cb 0.52 0.16 -0.35 0.00 2.20 0.00 0.00 35.95 38.47 1lxf h PHE 27 CO -0.17 -0.26 -0.11 1.33 -0.60 0.00 0.00 178.31 178.51 1lxf n VAL 28 N -5.37 2.97 0.40 -0.55 0.24 -1.23 -3.99 118.33 110.80 1lxf n VAL 28 Ca 0.14 -3.61 0.05 0.00 -2.04 0.00 0.00 64.34 58.87 1lxf n VAL 28 Cb 0.48 -1.09 0.23 0.00 -1.47 0.00 0.00 33.84 31.98 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 -0.82 0.00 -0.00 1.34 -0.00 0.60 -2.45 117.00 115.67 1lxf n LEU 29 Ca 0.51 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.90 1lxf n LEU 29 Cb 0.86 -0.39 -0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1lxf n LEU 29 CO 0.54 -0.26 -0.50 0.61 -0.00 0.00 0.00 177.39 177.78 1lxf n GLY 30 N -0.48 -0.00 3.23 1.47 0.00 -1.26 -5.00 105.19 103.14 1lxf n GLY 30 Ca 0.04 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.76 -4.36 -0.09 4.61 0.00 -1.03 -5.00 120.51 112.89 1lxf n ALA 31 Ca -0.00 -1.74 -0.15 0.00 0.00 0.00 0.00 53.44 51.54 1lxf n ALA 31 Cb 0.26 -1.55 -0.08 0.00 0.00 0.00 0.00 19.45 18.08 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 -5.16 0.52 0.00 0.00 2.13 -1.26 -4.92 120.64 111.94 1lxf n GLU 32 Ca 0.11 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1lxf n GLU 32 Cb 0.56 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.55 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 -4.50 0.00 -2.71 4.31 5.75 -1.26 -5.03 116.55 113.11 1lxf n ASP 33 Ca -0.23 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.48 1lxf n ASP 33 Cb 0.52 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.71 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 3.11 0.85 3.59 6.12 0.00 -1.26 -5.03 105.19 112.57 1lxf n GLY 34 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 0.02 4.39 0.30 0.00 1.01 -0.22 -4.63 121.20 122.06 1lxf s ILE 36 Ca 0.03 -1.17 0.06 0.00 0.00 0.00 0.00 60.65 59.57 1lxf s ILE 36 Cb -0.13 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 1lxf s ILE 36 CO 0.02 -0.39 0.44 -0.55 0.00 0.00 0.00 174.94 174.46 1lxf s SER 37 N 1.89 6.11 0.58 3.58 0.15 -1.26 -2.47 113.70 122.28 1lxf s SER 37 Ca 0.02 -0.06 0.28 0.00 0.70 0.00 0.00 55.95 56.90 1lxf s SER 37 Cb -0.21 -1.50 1.74 0.00 -1.71 0.00 0.00 66.02 64.34 1lxf s SER 37 CO 0.04 -0.30 2.21 0.71 1.20 0.00 0.00 173.24 177.10 1lxf h THR 38 N 0.98 0.55 0.00 6.45 1.35 -1.88 0.73 112.91 121.09 1lxf h THR 38 Ca -0.48 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.27 1lxf h THR 38 Cb 1.25 0.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 1lxf h THR 38 CO 0.56 0.00 -0.86 0.50 -0.25 0.00 0.00 175.52 175.47 1lxf h LYS 39 N 0.00 0.00 0.00 4.72 3.64 -1.93 -3.32 116.57 119.68 1lxf h LYS 39 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1lxf h LYS 39 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1lxf h LYS 39 CO -0.00 0.32 -0.05 0.93 -2.27 0.00 0.00 179.45 178.38 1lxf h GLU 40 N 0.00 0.00 -0.80 1.90 4.39 -1.26 -3.36 114.58 115.45 1lxf h GLU 40 Ca -0.06 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.79 1lxf h GLU 40 Cb 1.37 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.88 1lxf h GLU 40 CO 0.04 0.00 -0.21 -0.11 -1.16 0.00 0.00 179.01 177.57 1lxf n LEU 41 N -2.55 -0.32 -0.35 1.33 7.94 -0.18 0.25 117.00 123.13 1lxf n LEU 41 Ca -0.01 1.38 0.24 0.00 -1.11 0.00 0.00 56.01 56.51 1lxf n LEU 41 Cb 0.03 -0.40 0.50 0.00 0.53 0.00 0.00 43.42 44.07 1lxf n LEU 41 CO 0.01 -1.31 1.19 1.23 -1.11 0.00 0.00 177.39 177.40 1lxf h GLY 42 N 0.00 1.51 0.65 -3.96 0.00 -1.76 0.11 103.07 99.62 1lxf h GLY 42 Ca 0.37 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.52 1lxf h GLY 42 CO -0.82 -0.26 -0.05 1.70 0.00 0.00 0.00 176.54 177.11 1lxf h LYS 43 N 0.38 -0.01 -0.08 4.80 1.63 0.32 -1.84 116.57 121.76 1lxf h LYS 43 Ca 0.66 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.46 1lxf h LYS 43 Cb 1.64 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.27 1lxf h LYS 43 CO -0.40 -0.01 0.04 0.28 -3.45 0.00 0.00 179.45 175.91 1lxf h VAL 44 N -0.01 1.11 -0.73 2.00 2.07 -0.81 -2.64 116.25 117.24 1lxf h VAL 44 Ca 0.08 -0.34 0.16 0.00 0.82 0.00 0.00 66.70 67.43 1lxf h VAL 44 Cb 0.14 1.20 -0.13 0.00 -1.52 0.00 0.00 31.29 30.98 1lxf h VAL 44 CO -0.18 0.10 -0.03 0.24 0.02 0.00 0.00 177.57 177.72 1lxf h MET 45 N -0.00 0.08 0.00 1.57 2.86 -1.07 0.94 114.93 119.31 1lxf h MET 45 Ca 0.03 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1lxf h MET 45 Cb 0.13 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1lxf h MET 45 CO -0.00 0.05 -0.04 -0.09 1.06 0.00 0.00 176.91 177.89 1lxf h ARG 46 N 0.08 0.00 -0.17 1.72 2.43 -0.96 -1.41 114.38 116.07 1lxf h ARG 46 Ca 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1lxf h ARG 46 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1lxf h ARG 46 CO -0.66 0.04 0.00 -1.33 -1.51 0.00 0.00 179.97 176.52 1lxf n MET 47 N -3.27 1.42 0.00 0.20 2.81 0.32 -4.37 117.12 114.24 1lxf n MET 47 Ca -0.01 -0.65 0.00 0.00 -1.81 0.00 0.00 57.70 55.22 1lxf n MET 47 Cb 0.21 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 1lxf n MET 47 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1lxf n LEU 48 N 0.00 0.00 0.00 4.03 4.77 -0.57 -5.05 117.00 120.19 1lxf n LEU 48 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1lxf n LEU 48 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1lxf n LEU 48 CO 0.05 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.31 1lxf n GLY 49 N 3.41 0.00 2.92 -0.72 0.00 -1.06 -5.14 105.19 104.59 1lxf n GLY 49 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.20 -0.68 1.61 -0.21 -0.99 -5.04 119.66 114.54 1lxf s GLN 50 Ca 0.00 -0.12 0.05 0.00 0.02 0.00 0.00 55.36 55.31 1lxf s GLN 50 Cb 0.00 -0.17 0.17 0.00 1.00 0.00 0.00 33.01 34.01 1lxf s GLN 50 CO 0.00 0.05 0.49 1.21 -2.12 0.00 0.00 175.29 174.91 1lxf s ASN 51 N -0.15 4.56 0.57 5.90 2.47 -1.26 -2.37 114.94 124.66 1lxf s ASN 51 Ca -0.00 -3.81 0.00 0.00 0.42 0.00 0.00 52.86 49.47 1lxf s ASN 51 Cb -0.01 -1.54 0.00 0.00 -1.45 0.00 0.00 41.25 38.25 1lxf s ASN 51 CO -0.00 -0.09 0.00 -0.81 -3.72 0.00 0.00 177.10 172.48 1lxf n PRO 52 N 2.02 0.43 -4.26 0.43 -0.04 -1.26 -5.10 135.00 127.21 1lxf n PRO 52 Ca 0.21 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.51 1lxf n PRO 52 Cb 0.36 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.73 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 -0.57 0.15 -0.22 0.52 -4.23 -1.26 -5.03 115.64 105.00 1lxf s THR 53 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 1lxf s THR 53 Cb 0.00 -2.52 0.28 0.00 1.34 0.00 0.00 72.50 71.60 1lxf s THR 53 CO 0.00 0.00 1.67 1.55 -0.54 0.00 0.00 174.62 177.30 1lxf h PRO 54 N 2.41 0.00 0.01 3.99 0.13 -1.98 0.14 132.00 136.69 1lxf h PRO 54 Ca -0.34 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.53 1lxf h PRO 54 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1lxf h PRO 54 CO 0.51 0.13 -1.47 0.93 -0.23 0.00 0.00 178.00 177.86 1lxf h GLU 55 N 0.00 0.01 0.00 0.86 5.08 -1.96 -2.74 114.58 115.83 1lxf h GLU 55 Ca -0.00 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1lxf h GLU 55 Cb 0.96 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1lxf h GLU 55 CO 0.02 0.69 -1.28 0.93 -1.00 0.00 0.00 179.01 178.37 1lxf h GLU 56 N 0.00 0.00 0.12 2.33 5.08 -1.95 -3.34 114.58 116.82 1lxf h GLU 56 Ca -0.19 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.96 1lxf h GLU 56 Cb 1.93 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.21 1lxf h GLU 56 CO 0.10 0.25 -0.87 -0.07 -1.00 0.00 0.00 179.01 177.42 1lxf h LEU 57 N 0.00 0.56 -0.58 1.33 3.38 -0.83 -3.32 115.31 115.84 1lxf h LEU 57 Ca -0.13 -0.90 0.12 0.00 0.09 0.00 0.00 57.88 57.07 1lxf h LEU 57 Cb 1.47 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.94 1lxf h LEU 57 CO 0.04 1.41 -0.07 -0.61 0.09 0.00 0.00 178.44 179.29 1lxf h GLN 58 N -0.20 0.05 -0.94 1.13 -0.00 -1.64 0.62 115.11 114.13 1lxf h GLN 58 Ca -0.14 -0.00 0.26 0.00 -0.00 0.00 0.00 58.65 58.76 1lxf h GLN 58 Cb 1.65 -0.01 -0.05 0.00 0.00 0.00 0.00 27.48 29.06 1lxf h GLN 58 CO 0.17 0.03 0.66 0.93 0.00 0.00 0.00 178.83 180.62 1lxf h GLU 59 N 0.05 0.14 -0.07 1.69 5.08 -1.68 0.84 114.58 120.63 1lxf h GLU 59 Ca 0.29 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.60 1lxf h GLU 59 Cb 0.46 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1lxf h GLU 59 CO -0.55 0.09 -0.17 0.52 -1.00 0.00 0.00 179.01 177.91 1lxf h MET 60 N 0.14 0.12 0.04 2.33 2.86 0.16 -2.26 114.93 118.33 1lxf h MET 60 Ca 0.47 -0.03 -0.25 0.00 -2.06 0.00 0.00 59.70 57.83 1lxf h MET 60 Cb 1.61 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 33.26 1lxf h MET 60 CO -0.08 0.29 -1.06 0.82 1.06 0.00 0.00 176.91 177.94 1lxf h ILE 61 N 0.11 1.39 -0.02 -1.22 5.03 0.81 -3.10 117.51 120.51 1lxf h ILE 61 Ca 0.02 -2.54 0.01 0.00 -0.12 0.00 0.00 64.86 62.23 1lxf h ILE 61 Cb 0.37 2.55 -0.00 0.00 -3.03 0.00 0.00 36.82 36.71 1lxf h ILE 61 CO 0.02 0.76 0.35 -0.78 -0.68 0.00 0.00 178.15 177.82 1lxf h ASP 62 N 0.23 0.00 0.59 1.72 3.58 -0.76 2.23 116.42 124.01 1lxf h ASP 62 Ca -0.11 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.13 1lxf h ASP 62 Cb 1.72 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.76 1lxf h ASP 62 CO 0.19 0.00 -0.91 -0.33 -2.88 0.00 0.00 179.24 175.30 1lxf h GLU 63 N 0.00 0.21 -0.00 0.28 4.39 -1.51 -3.29 114.58 114.66 1lxf h GLU 63 Ca 0.01 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1lxf h GLU 63 Cb 0.71 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1lxf h GLU 63 CO -0.00 0.99 -0.46 1.33 -1.16 0.00 0.00 179.01 179.70 1lxf n VAL 64 N -3.64 0.00 -1.06 3.13 0.24 0.20 -4.68 118.33 112.53 1lxf n VAL 64 Ca -0.04 -0.27 -0.23 0.00 -2.04 0.00 0.00 64.34 61.76 1lxf n VAL 64 Cb 0.83 1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 34.15 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 -0.91 6.37 0.03 -1.34 9.92 0.70 -4.52 116.55 126.80 1lxf n ASP 65 Ca 0.03 -2.46 0.12 0.00 -0.53 0.00 0.00 54.79 51.95 1lxf n ASP 65 Cb 0.21 -1.39 0.57 0.00 -0.64 0.00 0.00 41.12 39.87 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 4.15 0.22 0.00 -1.24 5.08 -1.83 0.46 114.58 121.42 1lxf h GLU 66 Ca 0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1lxf h GLU 66 Cb 0.88 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1lxf h GLU 66 CO 0.94 0.15 -1.27 -0.40 -1.00 0.00 0.00 179.01 177.43 1lxf n ASP 67 N -4.47 0.55 0.00 1.42 5.75 -1.26 -4.96 116.55 113.58 1lxf n ASP 67 Ca 0.06 -0.29 0.00 0.00 -0.01 0.00 0.00 54.79 54.55 1lxf n ASP 67 Cb 0.32 1.12 0.00 0.00 -1.03 0.00 0.00 41.12 41.53 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 1.36 0.57 0.56 6.12 0.00 0.15 -4.89 105.19 109.05 1lxf n GLY 68 Ca 0.01 0.00 0.36 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 0.00 1.61 4.64 -1.93 -3.44 113.55 114.44 1lxf h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lxf h SER 69 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1lxf h SER 69 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1lxf n GLY 70 N -1.76 0.96 3.28 -0.77 0.00 -1.26 -5.02 105.19 100.62 1lxf n GLY 70 Ca 0.27 0.00 -0.24 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 -2.00 0.00 -3.78 2.61 -2.24 -1.26 -4.64 114.28 102.97 1lxf n THR 71 Ca 0.00 -2.35 -0.30 0.00 -2.27 0.00 0.00 64.05 59.13 1lxf n THR 71 Cb 0.00 0.89 -0.15 0.00 -2.10 0.00 0.00 70.33 68.97 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 -3.10 1.15 0.00 2.28 1.01 -1.03 -4.70 120.40 116.01 1lxf s VAL 72 Ca 0.23 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1lxf s VAL 72 Cb 0.01 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1lxf s VAL 72 CO 0.16 -0.68 0.00 -0.90 0.00 0.00 0.00 175.10 173.68 1lxf n ASP 73 N 4.63 -1.85 0.00 3.32 5.68 -1.24 -1.06 116.55 126.03 1lxf n ASP 73 Ca -0.00 -0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.39 1lxf n ASP 73 Cb 0.41 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 40.97 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 -2.85 0.00 0.00 2.11 7.35 -0.98 -3.58 117.46 119.51 1lxf n PHE 74 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 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 -0.82 0.00 -0.35 -2.13 9.92 -1.26 -4.52 116.55 117.39 1lxf n ASP 75 Ca 0.15 0.00 0.36 0.00 -0.53 0.00 0.00 54.79 54.76 1lxf n ASP 75 Cb 0.07 -0.22 0.61 0.00 -0.64 0.00 0.00 41.12 40.94 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 0.00 -1.24 4.11 -1.92 -2.77 114.58 112.76 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 -3.58 0.00 -0.27 2.06 7.35 -1.23 0.84 117.46 122.62 1lxf n PHE 77 Ca 0.28 0.00 0.25 0.00 -0.76 0.00 0.00 57.45 57.22 1lxf n PHE 77 Cb 1.57 0.00 0.46 0.00 0.35 0.00 0.00 39.48 41.86 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 -0.05 0.25 -0.06 -2.13 4.77 -1.08 0.19 117.00 118.88 1lxf n LEU 78 Ca 0.00 1.39 -0.10 0.00 -0.03 0.00 0.00 56.01 57.27 1lxf n LEU 78 Cb 0.00 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.40 1lxf n LEU 78 CO 0.00 -1.54 0.91 0.58 -1.33 0.00 0.00 177.39 176.02 1lxf h VAL 79 N 0.00 1.12 0.00 4.08 2.07 -1.42 -1.35 116.25 120.75 1lxf h VAL 79 Ca 0.69 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.89 1lxf h VAL 79 Cb 1.78 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1lxf h VAL 79 CO -0.66 0.11 0.14 0.00 0.02 0.00 0.00 177.57 177.19 1lxf h MET 80 N 0.25 0.00 0.20 1.57 -0.00 0.85 0.26 114.93 118.06 1lxf h MET 80 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 59.70 59.49 1lxf h MET 80 Cb 0.07 0.00 0.03 0.00 -0.00 0.00 0.00 31.60 31.70 1lxf h MET 80 CO -0.01 0.00 -1.33 0.52 -0.00 0.00 0.00 176.91 176.09 1lxf h MET 81 N 0.00 0.43 0.00 -0.10 2.07 -0.84 -3.18 114.93 113.30 1lxf h MET 81 Ca 0.00 -0.73 -0.11 0.00 -2.07 0.00 0.00 59.70 56.79 1lxf h MET 81 Cb 0.28 0.27 0.01 0.00 -1.87 0.00 0.00 31.60 30.29 1lxf h MET 81 CO 0.00 1.35 -0.44 0.28 1.07 0.00 0.00 176.91 179.17 1lxf h VAL 82 N -0.05 1.49 -1.00 -2.22 2.07 -0.66 0.81 116.25 116.68 1lxf h VAL 82 Ca -0.24 -2.03 0.20 0.00 0.82 0.00 0.00 66.70 65.45 1lxf h VAL 82 Cb 1.97 2.69 -0.11 0.00 -1.52 0.00 0.00 31.29 34.32 1lxf h VAL 82 CO 0.21 0.57 0.61 0.03 0.02 0.00 0.00 177.57 179.01 1lxf h ARG 83 N -0.29 0.71 0.00 1.57 3.08 -0.72 0.93 114.38 119.64 1lxf h ARG 83 Ca -0.05 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 1lxf h ARG 83 Cb 1.18 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 1lxf h ARG 83 CO 0.09 0.47 -1.19 0.00 -1.07 0.00 0.00 179.97 178.27 1lxf n MET 85 N -2.97 0.04 -0.02 0.00 2.81 0.30 -2.71 117.12 114.58 1lxf n MET 85 Ca -0.07 0.03 -0.01 0.00 -1.81 0.00 0.00 57.70 55.84 1lxf n MET 85 Cb 0.81 -1.54 -0.03 0.00 -0.71 0.00 0.00 33.22 31.75 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 -1.61 3.21 -2.90 0.03 5.02 0.30 -4.91 118.16 117.29 1lxf n LYS 86 Ca 0.07 -0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.24 1lxf n LYS 86 Cb 0.35 -1.09 -0.00 0.00 -0.02 0.00 0.00 35.03 34.27 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 -2.09 -2.47 -4.66 4.39 9.92 -0.13 -5.07 116.55 116.43 1lxf n ASP 87 Ca -0.05 -2.92 -0.41 0.00 -0.53 0.00 0.00 54.79 50.87 1lxf n ASP 87 Cb 0.58 1.18 0.01 0.00 -0.64 0.00 0.00 41.12 42.24 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 2.40 2.01 0.00 -2.24 -0.08 -1.10 -4.43 116.55 113.12 1lxf n ASP 88 Ca 0.18 1.09 0.00 0.00 -1.51 0.00 0.00 54.79 54.54 1lxf n ASP 88 Cb 0.56 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.59 1lxf n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08