#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 -0.50 0.06 6.12 8.00 -1.26 -4.81 116.55 124.17 1lxf n ASP 2 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1lxf n ASP 2 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 1lxf n ASP 2 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1lxf h ASP 3 N -0.51 0.23 -1.38 -2.24 3.32 -2.06 -3.22 116.42 110.56 1lxf h ASP 3 Ca 0.00 -0.29 0.41 0.00 0.02 0.00 0.00 57.03 57.17 1lxf h ASP 3 Cb 0.00 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.39 1lxf h ASP 3 CO 0.00 1.23 0.95 0.16 -1.72 0.00 0.00 179.24 179.86 1lxf h ILE 4 N 0.04 0.25 0.07 0.35 -2.65 -2.01 0.84 117.51 114.40 1lxf h ILE 4 Ca -0.15 -0.03 -0.32 0.00 1.03 0.00 0.00 64.86 65.39 1lxf h ILE 4 Cb 1.93 0.14 -0.03 0.00 -2.05 0.00 0.00 36.82 36.81 1lxf h ILE 4 CO 0.15 0.02 -1.78 1.88 0.03 0.00 0.00 178.15 178.45 1lxf h TYR 5 N 0.10 0.28 -0.65 0.16 0.05 -1.91 -3.26 116.97 111.74 1lxf h TYR 5 Ca 0.74 -0.20 0.13 0.00 0.05 0.00 0.00 58.73 59.44 1lxf h TYR 5 Cb 2.57 -0.01 -0.09 0.00 1.01 0.00 0.00 36.73 40.20 1lxf h TYR 5 CO -0.00 1.38 0.14 0.87 -1.05 0.00 0.00 178.16 179.50 1lxf h LYS 6 N 0.04 0.25 0.78 4.88 1.79 0.65 0.41 116.57 125.37 1lxf h LYS 6 Ca -0.33 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.09 1lxf h LYS 6 Cb 2.02 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 32.62 1lxf h LYS 6 CO 0.10 0.17 -0.37 0.00 -1.08 0.00 0.00 179.45 178.26 1lxf h ALA 7 N 1.53 -1.04 -1.13 3.86 0.00 -1.36 0.30 119.26 121.40 1lxf h ALA 7 Ca 0.35 -0.23 0.32 0.00 0.00 0.00 0.00 54.91 55.35 1lxf h ALA 7 Cb 0.54 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 1lxf h ALA 7 CO -0.44 -0.97 0.73 0.00 0.00 0.00 0.00 179.25 178.57 1lxf h ALA 8 N -1.28 2.43 0.00 0.00 0.00 -1.49 2.51 119.26 121.43 1lxf h ALA 8 Ca -0.11 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1lxf h ALA 8 Cb 0.80 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1lxf h ALA 8 CO 0.18 -0.90 -0.51 0.28 0.00 0.00 0.00 179.25 178.29 1lxf h VAL 9 N 0.28 0.99 0.00 0.00 2.07 0.03 -3.06 116.25 116.56 1lxf h VAL 9 Ca 0.67 -2.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.03 1lxf h VAL 9 Cb 1.88 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 33.88 1lxf h VAL 9 CO -0.33 0.50 -1.14 -0.33 0.02 0.00 0.00 177.57 176.29 1lxf h GLU 10 N 0.00 0.00 -0.66 1.57 5.08 0.54 -3.33 114.58 117.78 1lxf h GLU 10 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lxf h GLU 10 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1lxf h GLU 10 CO 0.07 0.21 0.42 1.96 -1.00 0.00 0.00 179.01 180.67 1lxf h GLN 11 N 0.00 0.87 -6.10 2.33 4.20 0.34 -3.42 115.11 113.34 1lxf h GLN 11 Ca -0.09 -0.06 -0.69 0.00 0.06 0.00 0.00 58.65 57.87 1lxf h GLN 11 Cb 1.36 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.95 1lxf h GLN 11 CO 0.03 0.59 1.17 1.28 -0.67 0.00 0.00 178.83 181.24 1lxf n LEU 12 N -4.61 2.45 -4.76 1.46 4.77 -1.21 -4.91 117.00 110.18 1lxf n LEU 12 Ca 0.05 0.76 -0.30 0.00 -0.03 0.00 0.00 56.01 56.49 1lxf n LEU 12 Cb 0.03 -1.23 0.10 0.00 -2.33 0.00 0.00 43.42 39.99 1lxf n LEU 12 CO 0.36 -0.49 0.69 -0.89 -1.33 0.00 0.00 177.39 175.73 1lxf s THR 13 N 5.32 3.13 0.59 -5.08 2.01 -1.26 -4.56 115.64 115.79 1lxf s THR 13 Ca 1.03 0.37 0.32 0.00 0.31 0.00 0.00 61.69 63.71 1lxf s THR 13 Cb -0.92 -2.92 0.45 0.00 0.01 0.00 0.00 72.50 69.12 1lxf s THR 13 CO 0.56 -0.48 1.59 -0.08 -0.69 0.00 0.00 174.62 175.52 1lxf h GLU 14 N -1.23 0.00 -0.41 4.92 4.57 -1.95 0.53 114.58 121.01 1lxf h GLU 14 Ca -0.46 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 57.76 1lxf h GLU 14 Cb 1.25 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.80 1lxf h GLU 14 CO 0.54 0.00 0.18 0.93 -1.18 0.00 0.00 179.01 179.48 1lxf h GLU 15 N 0.00 0.35 0.14 1.92 5.08 -1.99 -0.37 114.58 119.71 1lxf h GLU 15 Ca 0.47 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.47 1lxf h GLU 15 Cb 2.40 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.57 1lxf h GLU 15 CO -0.00 0.23 -1.72 1.96 -1.00 0.00 0.00 179.01 178.47 1lxf h GLN 16 N 0.36 0.29 -1.00 2.33 4.20 -0.32 -3.00 115.11 117.98 1lxf h GLN 16 Ca 0.19 -0.50 0.12 0.00 0.06 0.00 0.00 58.65 58.52 1lxf h GLN 16 Cb 0.13 0.19 -0.08 0.00 0.30 0.00 0.00 27.48 28.02 1lxf h GLN 16 CO -0.16 1.17 0.63 0.87 -0.67 0.00 0.00 178.83 180.67 1lxf h LYS 17 N 0.08 0.97 0.00 1.46 1.79 -1.08 -1.08 116.57 118.72 1lxf h LYS 17 Ca -0.32 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1lxf h LYS 17 Cb 2.05 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 32.49 1lxf h LYS 17 CO 0.15 0.64 -0.00 -0.91 -1.08 0.00 0.00 179.45 178.25 1lxf h ASN 18 N 1.00 -0.00 -0.88 0.86 2.35 -1.19 -3.27 115.58 114.45 1lxf h ASN 18 Ca 0.50 0.00 0.37 0.00 -0.55 0.00 0.00 56.30 56.62 1lxf h ASN 18 Cb 0.49 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.70 1lxf h ASN 18 CO -0.26 0.02 0.48 -1.84 -1.65 0.00 0.00 177.43 174.18 1lxf n GLU 19 N -2.14 -0.05 0.31 0.81 -0.00 -1.13 0.33 120.64 118.76 1lxf n GLU 19 Ca -0.00 1.21 -0.18 0.00 -0.00 0.00 0.00 57.16 58.19 1lxf n GLU 19 Cb 0.00 -2.17 -0.10 0.00 -0.00 0.00 0.00 31.44 29.17 1lxf n GLU 19 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1lxf h PHE 20 N 0.00 -1.36 -0.99 -1.84 0.04 -1.33 -1.82 116.94 109.64 1lxf h PHE 20 Ca 0.74 0.01 0.41 0.00 2.80 0.00 0.00 57.97 61.93 1lxf h PHE 20 Cb 1.98 0.52 -0.18 0.00 2.20 0.00 0.00 35.95 40.47 1lxf h PHE 20 CO -0.01 -0.67 0.52 1.63 -0.60 0.00 0.00 178.31 179.19 1lxf n LYS 21 N -5.45 -0.06 -0.08 1.51 5.02 0.15 -0.31 118.16 118.93 1lxf n LYS 21 Ca -0.12 1.36 -0.11 0.00 -2.02 0.00 0.00 58.31 57.42 1lxf n LYS 21 Cb 0.46 -2.45 -0.08 0.00 -0.02 0.00 0.00 35.03 32.95 1lxf n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lxf h ALA 22 N 1.97 -0.70 -0.37 7.82 0.00 -1.18 1.35 119.26 128.15 1lxf h ALA 22 Ca 0.83 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.58 1lxf h ALA 22 Cb 2.20 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.99 1lxf h ALA 22 CO -0.76 -0.89 -0.37 0.00 0.00 0.00 0.00 179.25 177.23 1lxf h ALA 23 N -0.39 0.64 -0.02 0.00 0.00 -0.70 -2.28 119.26 116.51 1lxf h ALA 23 Ca 0.05 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1lxf h ALA 23 Cb 0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1lxf h ALA 23 CO -0.43 0.67 0.06 0.35 0.00 0.00 0.00 179.25 179.91 1lxf h PHE 24 N 0.72 0.00 -0.04 0.00 3.57 0.14 0.67 116.94 122.01 1lxf h PHE 24 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1lxf h PHE 24 Cb 0.95 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1lxf h PHE 24 CO 0.06 0.00 0.00 -0.25 -2.23 0.00 0.00 178.31 175.89 1lxf n ASP 25 N -3.28 1.12 -0.06 0.41 8.00 0.45 -3.71 116.55 119.49 1lxf n ASP 25 Ca -0.02 -1.43 -0.05 0.00 0.71 0.00 0.00 54.79 54.00 1lxf n ASP 25 Cb 0.14 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.80 -0.15 0.53 2.08 0.23 -3.49 119.36 119.25 1lxf n ILE 26 Ca 0.19 -0.54 -0.11 0.00 0.56 0.00 0.00 62.75 62.86 1lxf n ILE 26 Cb 0.28 -0.53 -0.01 0.00 -0.75 0.00 0.00 39.64 38.63 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 0.91 -0.32 1.39 0.04 -1.54 -3.09 116.94 114.33 1lxf h PHE 27 Ca -0.32 -0.18 -0.06 0.00 2.80 0.00 0.00 57.97 60.21 1lxf h PHE 27 Cb 1.67 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 39.56 1lxf h PHE 27 CO 0.00 0.90 0.01 1.33 -0.60 0.00 0.00 178.31 179.95 1lxf n VAL 28 N -4.33 2.41 0.15 -0.55 0.24 -1.25 -4.60 118.33 110.40 1lxf n VAL 28 Ca -0.00 -2.06 0.08 0.00 -2.04 0.00 0.00 64.34 60.32 1lxf n VAL 28 Cb 0.34 -0.28 0.42 0.00 -1.47 0.00 0.00 33.84 32.85 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 -0.63 0.41 -1.65 1.34 -0.00 -1.17 -1.66 117.00 113.64 1lxf n LEU 29 Ca 0.26 0.68 0.03 0.00 -0.00 0.00 0.00 56.01 56.98 1lxf n LEU 29 Cb 0.97 -0.72 0.05 0.00 -0.00 0.00 0.00 43.42 43.72 1lxf n LEU 29 CO 0.19 -0.79 0.08 0.61 -0.00 0.00 0.00 177.39 177.48 1lxf n GLY 30 N -1.21 1.71 4.01 1.47 0.00 -1.26 -5.06 105.19 104.85 1lxf n GLY 30 Ca -0.01 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.08 4.24 -0.15 4.61 0.00 -0.67 -5.03 121.76 123.69 1lxf s ALA 31 Ca 0.34 -1.86 0.19 0.00 0.00 0.00 0.00 51.96 50.62 1lxf s ALA 31 Cb 0.38 -1.74 -0.13 0.00 0.00 0.00 0.00 23.12 21.63 1lxf s ALA 31 CO -0.13 -1.01 0.79 -1.91 0.00 0.00 0.00 175.76 173.50 1lxf n GLU 32 N -2.43 0.63 0.00 0.00 2.13 -1.26 -4.92 120.64 114.78 1lxf n GLU 32 Ca 0.14 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1lxf n GLU 32 Cb 0.61 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.56 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 -2.76 0.00 -0.86 4.31 5.68 -1.26 -5.06 116.55 116.60 1lxf n ASP 33 Ca -0.08 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.16 1lxf n ASP 33 Cb 0.76 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.69 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 1.47 0.63 3.66 6.12 0.00 -1.26 -5.08 105.19 110.73 1lxf n GLY 34 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.09 4.59 0.02 0.00 1.01 0.43 -4.52 121.20 121.64 1lxf s ILE 36 Ca 0.20 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1lxf s ILE 36 Cb -0.11 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1lxf s ILE 36 CO 0.11 -0.60 -0.07 -0.55 0.00 0.00 0.00 174.94 173.83 1lxf s SER 37 N -4.14 0.74 0.23 3.58 0.15 -1.26 0.73 113.70 113.74 1lxf s SER 37 Ca 0.46 -0.36 -0.14 0.00 0.70 0.00 0.00 55.95 56.62 1lxf s SER 37 Cb -0.10 -0.01 0.29 0.00 -1.71 0.00 0.00 66.02 64.49 1lxf s SER 37 CO 0.41 -0.09 1.47 0.35 1.20 0.00 0.00 173.24 176.58 1lxf n THR 38 N 2.09 -0.47 -0.06 6.45 -2.24 -1.26 0.20 114.28 118.99 1lxf n THR 38 Ca -0.19 2.21 -0.14 0.00 -2.27 0.00 0.00 64.05 63.66 1lxf n THR 38 Cb 0.56 -2.96 -0.07 0.00 -2.10 0.00 0.00 70.33 65.77 1lxf n THR 38 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1lxf h LYS 39 N 0.00 0.49 0.00 -0.78 1.63 -1.88 -1.72 116.57 114.30 1lxf h LYS 39 Ca 0.37 -0.30 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1lxf h LYS 39 Cb 0.60 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1lxf h LYS 39 CO -0.95 0.89 -0.01 1.49 -3.45 0.00 0.00 179.45 177.42 1lxf h GLU 40 N 0.13 0.00 0.03 1.90 4.57 -0.69 -1.37 114.58 119.14 1lxf h GLU 40 Ca 0.01 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.93 1lxf h GLU 40 Cb 0.85 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.41 1lxf h GLU 40 CO 0.06 0.01 -1.40 1.25 -1.18 0.00 0.00 179.01 177.75 1lxf h LEU 41 N 0.00 0.10 -1.67 1.64 5.85 0.25 -3.31 115.31 118.17 1lxf h LEU 41 Ca -0.00 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1lxf h LEU 41 Cb 0.02 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1lxf h LEU 41 CO 0.00 1.12 -0.19 1.23 -0.34 0.00 0.00 178.44 180.26 1lxf h GLY 42 N 2.84 0.00 1.49 3.75 0.00 -0.31 -2.15 103.07 108.69 1lxf h GLY 42 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1lxf h GLY 42 CO 0.12 0.00 0.13 1.70 0.00 0.00 0.00 176.54 178.49 1lxf h LYS 43 N 0.00 0.65 0.14 4.80 1.63 -1.56 -2.32 116.57 119.91 1lxf h LYS 43 Ca -0.00 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1lxf h LYS 43 Cb 0.38 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1lxf h LYS 43 CO 0.02 0.58 -0.07 0.28 -3.45 0.00 0.00 179.45 176.81 1lxf h VAL 44 N 0.64 0.00 -1.68 2.00 2.07 -1.56 -3.15 116.25 114.57 1lxf h VAL 44 Ca 0.15 -0.74 0.50 0.00 0.82 0.00 0.00 66.70 67.43 1lxf h VAL 44 Cb 0.20 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.88 1lxf h VAL 44 CO -0.01 0.00 1.18 0.24 0.02 0.00 0.00 177.57 179.01 1lxf h MET 45 N -0.93 0.02 -0.27 1.57 2.86 -1.49 2.04 114.93 118.74 1lxf h MET 45 Ca -0.02 -0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.46 1lxf h MET 45 Cb 0.14 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1lxf h MET 45 CO 0.03 0.01 -0.49 0.00 1.06 0.00 0.00 176.91 177.53 1lxf h ARG 46 N 0.02 0.74 0.00 1.72 3.08 -0.17 0.51 114.38 120.28 1lxf h ARG 46 Ca 0.85 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1lxf h ARG 46 Cb 3.22 0.04 0.00 0.00 0.08 0.00 0.00 29.97 33.31 1lxf h ARG 46 CO -0.11 1.06 0.00 0.52 -1.07 0.00 0.00 179.97 180.36 1lxf h MET 47 N 0.58 0.00 0.00 0.04 2.86 0.33 -2.19 114.93 116.56 1lxf h MET 47 Ca 0.03 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.37 1lxf h MET 47 Cb 1.05 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.66 1lxf h MET 47 CO 0.10 0.00 -1.86 1.28 1.06 0.00 0.00 176.91 177.49 1lxf n LEU 48 N -2.56 0.64 0.00 1.22 4.77 -0.96 -4.97 117.00 115.15 1lxf n LEU 48 Ca 0.00 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1lxf n LEU 48 Cb 0.18 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1lxf n LEU 48 CO 0.19 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1lxf n GLY 49 N 1.59 0.73 3.64 -0.72 0.00 -0.81 -5.12 105.19 104.50 1lxf n GLY 49 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 4.08 -0.80 1.61 -0.21 0.17 -4.93 119.66 119.59 1lxf s GLN 50 Ca 0.00 0.03 0.02 0.00 0.02 0.00 0.00 55.36 55.42 1lxf s GLN 50 Cb 0.00 -3.59 0.20 0.00 1.00 0.00 0.00 33.01 30.62 1lxf s GLN 50 CO 0.00 -0.12 0.68 -1.71 -2.12 0.00 0.00 175.29 172.02 1lxf n ASN 51 N 4.81 3.73 -2.76 5.90 4.05 -1.26 -0.45 115.26 129.28 1lxf n ASN 51 Ca -0.10 -3.21 0.00 0.00 0.45 0.00 0.00 54.58 51.72 1lxf n ASN 51 Cb 0.51 -0.90 0.00 0.00 1.23 0.00 0.00 39.78 40.63 1lxf n ASN 51 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1lxf n PRO 52 N 1.97 1.05 -4.53 1.20 -0.04 -1.26 -5.07 135.00 128.31 1lxf n PRO 52 Ca 0.22 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.42 1lxf n PRO 52 Cb 0.36 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.74 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 0.05 0.73 -0.06 0.52 -4.23 -1.26 -5.04 115.64 106.35 1lxf s THR 53 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1lxf s THR 53 Cb 0.00 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.48 1lxf s THR 53 CO 0.00 0.00 1.45 1.55 -0.54 0.00 0.00 174.62 177.08 1lxf h PRO 54 N 1.78 0.00 0.02 3.99 0.13 -1.97 -2.21 132.00 133.75 1lxf h PRO 54 Ca -0.37 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.53 1lxf h PRO 54 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1lxf h PRO 54 CO 0.60 0.58 -1.16 0.93 -0.23 0.00 0.00 178.00 178.72 1lxf h GLU 55 N 0.00 0.05 0.02 0.86 5.08 -1.96 -2.66 114.58 115.97 1lxf h GLU 55 Ca -0.01 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1lxf h GLU 55 Cb 1.39 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1lxf h GLU 55 CO 0.08 0.97 -0.01 0.93 -1.00 0.00 0.00 179.01 179.97 1lxf h GLU 56 N 0.01 -0.03 -0.39 2.33 4.39 -1.97 -3.24 114.58 115.69 1lxf h GLU 56 Ca -0.08 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1lxf h GLU 56 Cb 1.85 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.48 1lxf h GLU 56 CO 0.13 0.66 0.26 -0.07 -1.16 0.00 0.00 179.01 178.83 1lxf h LEU 57 N -0.78 0.42 -0.65 1.33 3.38 -1.52 -2.03 115.31 115.45 1lxf h LEU 57 Ca -0.00 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.09 1lxf h LEU 57 Cb 0.70 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.25 1lxf h LEU 57 CO 0.01 0.30 0.10 -0.61 0.09 0.00 0.00 178.44 178.32 1lxf h GLN 58 N 0.50 0.20 -0.21 1.13 5.75 -1.50 0.63 115.11 121.61 1lxf h GLN 58 Ca 0.15 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1lxf h GLN 58 Cb -0.01 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1lxf h GLN 58 CO -0.03 0.13 0.09 0.93 -2.65 0.00 0.00 178.83 177.30 1lxf h GLU 59 N 0.21 0.28 0.00 1.69 5.08 -1.43 0.73 114.58 121.15 1lxf h GLU 59 Ca 0.35 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1lxf h GLU 59 Cb 0.57 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1lxf h GLU 59 CO -0.49 0.24 -0.27 0.52 -1.00 0.00 0.00 179.01 178.00 1lxf h MET 60 N 0.29 0.00 0.02 2.33 2.86 0.23 -3.18 114.93 117.48 1lxf h MET 60 Ca 0.07 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1lxf h MET 60 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1lxf h MET 60 CO -0.01 0.27 -0.01 0.82 1.06 0.00 0.00 176.91 179.05 1lxf h ILE 61 N 0.00 1.40 -1.20 -1.22 1.08 0.79 -3.28 117.51 115.07 1lxf h ILE 61 Ca -0.00 -1.88 0.45 0.00 -0.39 0.00 0.00 64.86 63.04 1lxf h ILE 61 Cb 0.73 2.56 -0.16 0.00 -3.07 0.00 0.00 36.82 36.88 1lxf h ILE 61 CO 0.04 0.44 0.73 0.44 -0.69 0.00 0.00 178.15 179.11 1lxf h ASP 62 N -0.92 0.26 -0.01 1.72 3.32 -1.26 1.88 116.42 121.42 1lxf h ASP 62 Ca -0.00 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1lxf h ASP 62 Cb 0.75 0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1lxf h ASP 62 CO 0.00 -0.33 -0.01 -0.33 -1.72 0.00 0.00 179.24 176.85 1lxf h GLU 63 N 0.02 -0.01 0.04 3.56 4.39 -1.62 -3.00 114.58 117.96 1lxf h GLU 63 Ca 0.86 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 60.32 1lxf h GLU 63 Cb 2.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 31.17 1lxf h GLU 63 CO -0.60 -0.01 -1.20 -0.39 -1.16 0.00 0.00 179.01 175.65 1lxf h VAL 64 N -0.01 1.50 -0.96 3.13 -1.51 0.75 -3.40 116.25 115.75 1lxf h VAL 64 Ca 0.01 -3.19 -0.64 0.00 -1.23 0.00 0.00 66.70 61.65 1lxf h VAL 64 Cb 0.03 2.81 -0.09 0.00 -2.13 0.00 0.00 31.29 31.91 1lxf h VAL 64 CO -0.02 0.89 1.89 -1.81 -1.23 0.00 0.00 177.57 177.29 1lxf s ASP 65 N -6.77 6.67 0.12 4.19 1.11 0.56 -4.66 116.67 117.89 1lxf s ASP 65 Ca -0.02 -2.01 0.23 0.00 0.18 0.00 0.00 52.55 50.93 1lxf s ASP 65 Cb 0.09 -2.58 -0.06 0.00 1.07 0.00 0.00 42.92 41.45 1lxf s ASP 65 CO 0.84 -1.34 0.92 -0.62 1.18 0.00 0.00 175.17 176.15 1lxf n GLU 66 N 8.61 0.55 0.05 8.23 1.02 -1.26 -3.99 120.64 133.85 1lxf n GLU 66 Ca 0.42 0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.54 1lxf n GLU 66 Cb 0.48 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 30.10 1lxf n GLU 66 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1lxf h ASP 67 N 0.00 0.00 -0.96 1.62 3.04 -1.94 -3.48 116.42 114.70 1lxf h ASP 67 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1lxf h ASP 67 Cb 0.94 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.23 1lxf h ASP 67 CO 0.00 0.86 0.00 0.61 -2.04 0.00 0.00 179.24 178.67 1lxf n GLY 68 N 1.39 0.79 0.12 7.15 0.00 -1.26 -5.01 105.19 108.37 1lxf n GLY 68 Ca -0.06 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 0.30 0.00 1.61 4.64 -1.94 -3.49 113.55 114.68 1lxf h SER 69 Ca 0.00 -0.83 0.00 0.00 -0.47 0.00 0.00 61.79 60.49 1lxf h SER 69 Cb 0.70 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1lxf h SER 69 CO 0.00 1.54 0.00 0.61 -0.87 0.00 0.00 176.83 178.11 1lxf n GLY 70 N 1.69 1.51 0.04 -0.77 0.00 -1.26 -5.09 105.19 101.31 1lxf n GLY 70 Ca -0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 0.00 -3.76 2.61 -2.24 -1.26 -4.72 114.28 104.91 1lxf n THR 71 Ca 0.00 -0.02 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 1lxf n THR 71 Cb 0.00 -0.21 -0.13 0.00 -2.10 0.00 0.00 70.33 67.89 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 -0.59 1.78 0.76 2.28 1.01 0.22 -4.70 120.40 121.16 1lxf s VAL 72 Ca 0.00 -2.98 -0.09 0.00 0.00 0.00 0.00 61.98 58.91 1lxf s VAL 72 Cb -0.00 -2.22 0.14 0.00 0.00 0.00 0.00 36.38 34.30 1lxf s VAL 72 CO 0.00 -0.92 0.32 -0.90 0.00 0.00 0.00 175.10 173.59 1lxf n ASP 73 N 3.16 -2.59 -0.16 3.32 5.75 -1.26 -0.43 116.55 124.34 1lxf n ASP 73 Ca 0.11 -0.32 0.08 0.00 -0.01 0.00 0.00 54.79 54.65 1lxf n ASP 73 Cb 0.35 -0.58 0.39 0.00 -1.03 0.00 0.00 41.12 40.25 1lxf n ASP 73 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1lxf n PHE 74 N -3.93 0.08 -0.06 2.11 7.35 -0.84 -2.96 117.46 119.21 1lxf n PHE 74 Ca 0.05 -0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1lxf n PHE 74 Cb 0.22 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 39.88 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 -0.42 0.01 -0.09 -2.13 8.00 -1.26 -4.53 116.55 116.13 1lxf n ASP 75 Ca 0.12 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.39 1lxf n ASP 75 Cb 0.12 1.47 -0.12 0.00 -0.02 0.00 0.00 41.12 42.58 1lxf n ASP 75 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1lxf n GLU 76 N -2.52 0.63 0.00 -1.24 0.28 -1.21 -4.38 120.64 112.21 1lxf n GLU 76 Ca -0.19 0.37 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 1lxf n GLU 76 Cb 0.87 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 32.10 1lxf n GLU 76 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1lxf n PHE 77 N -4.00 0.00 0.00 -1.84 7.35 -1.16 -0.84 117.46 116.97 1lxf n PHE 77 Ca -0.40 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.29 1lxf n PHE 77 Cb 0.86 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 40.63 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 -1.22 0.00 -0.35 -2.13 4.77 -1.26 -0.73 117.00 116.08 1lxf n LEU 78 Ca 0.00 0.60 -0.08 0.00 -0.03 0.00 0.00 56.01 56.49 1lxf n LEU 78 Cb 0.00 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 1lxf n LEU 78 CO 0.00 -0.25 0.41 0.52 -1.33 0.00 0.00 177.39 176.74 1lxf n VAL 79 N -2.16 -0.55 -0.36 4.08 0.31 -1.06 -0.34 118.33 118.25 1lxf n VAL 79 Ca 0.00 2.01 -0.10 0.00 -0.01 0.00 0.00 64.34 66.24 1lxf n VAL 79 Cb 0.00 -2.49 -0.09 0.00 -0.91 0.00 0.00 33.84 30.35 1lxf n VAL 79 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1lxf n MET 80 N -5.06 -0.38 -0.16 5.55 0.00 0.09 0.68 117.12 117.83 1lxf n MET 80 Ca 0.02 1.33 -0.04 0.00 -0.00 0.00 0.00 57.70 59.02 1lxf n MET 80 Cb 0.23 -1.96 0.03 0.00 0.00 0.00 0.00 33.22 31.52 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 -0.09 -0.02 2.12 2.07 -0.27 0.82 114.93 119.56 1lxf h MET 81 Ca 0.14 0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.78 1lxf h MET 81 Cb 0.35 0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.11 1lxf h MET 81 CO -0.81 -0.06 0.05 0.28 1.07 0.00 0.00 176.91 177.43 1lxf h VAL 82 N -0.10 0.20 0.08 -2.22 2.07 0.92 0.47 116.25 117.68 1lxf h VAL 82 Ca 0.24 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.45 1lxf h VAL 82 Cb 0.47 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1lxf h VAL 82 CO -0.58 0.00 -1.64 0.03 0.02 0.00 0.00 177.57 175.41 1lxf h ARG 83 N 0.00 0.18 0.17 1.57 3.08 0.40 -3.27 114.38 116.50 1lxf h ARG 83 Ca 0.01 -0.30 -0.34 0.00 0.07 0.00 0.00 59.98 59.42 1lxf h ARG 83 Cb 0.11 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1lxf h ARG 83 CO -0.00 0.97 -1.71 0.00 -1.07 0.00 0.00 179.97 178.16 1lxf n MET 85 N -3.65 0.65 -0.01 0.00 0.00 0.15 -0.50 117.12 113.76 1lxf n MET 85 Ca -0.26 0.01 -0.01 0.00 0.00 0.00 0.00 57.70 57.45 1lxf n MET 85 Cb 1.04 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.73 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 -1.04 2.43 -2.81 3.17 5.02 -1.23 -4.87 118.16 118.83 1lxf n LYS 86 Ca 0.16 -0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.33 1lxf n LYS 86 Cb 0.09 -1.09 0.07 0.00 -0.02 0.00 0.00 35.03 34.08 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 -1.98 -1.85 -4.75 4.39 9.92 -0.84 -5.08 116.55 116.37 1lxf n ASP 87 Ca -0.04 -3.57 -0.41 0.00 -0.53 0.00 0.00 54.79 50.23 1lxf n ASP 87 Cb 0.46 1.50 -0.02 0.00 -0.64 0.00 0.00 41.12 42.42 1lxf n ASP 87 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1lxf s ASP 88 N -1.47 6.64 0.00 -2.24 -1.08 0.34 -4.68 116.67 114.18 1lxf s ASP 88 Ca 0.25 2.69 0.00 0.00 -0.52 0.00 0.00 52.55 54.97 1lxf s ASP 88 Cb 0.30 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 39.13 1lxf s ASP 88 CO -0.06 -0.71 0.00 -1.54 0.52 0.00 0.00 175.17 173.38