#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 3.64 -0.08 7.83 2.03 -1.26 -4.43 116.55 124.28 1lxf n ASP 2 Ca 0.00 -2.02 -0.14 0.00 0.52 0.00 0.00 54.79 53.15 1lxf n ASP 2 Cb 0.00 -0.41 -0.05 0.00 -0.72 0.00 0.00 41.12 39.94 1lxf n ASP 2 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1lxf h ASP 3 N 3.48 0.77 -0.66 1.67 5.19 -2.07 -2.82 116.42 121.98 1lxf h ASP 3 Ca 0.00 -0.51 0.19 0.00 -0.62 0.00 0.00 57.03 56.09 1lxf h ASP 3 Cb 0.92 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.19 1lxf h ASP 3 CO 0.01 1.13 0.68 0.16 -3.12 0.00 0.00 179.24 178.10 1lxf h ILE 4 N 0.43 0.29 0.02 0.35 -2.65 -2.04 0.59 117.51 114.50 1lxf h ILE 4 Ca 0.03 0.00 -0.30 0.00 1.03 0.00 0.00 64.86 65.62 1lxf h ILE 4 Cb 0.96 0.47 -0.04 0.00 -2.05 0.00 0.00 36.82 36.16 1lxf h ILE 4 CO 0.09 0.00 -1.69 1.88 0.03 0.00 0.00 178.15 178.46 1lxf h TYR 5 N 0.00 0.09 0.00 0.16 0.05 -1.82 -3.33 116.97 112.12 1lxf h TYR 5 Ca 0.32 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1lxf h TYR 5 Cb 1.67 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.41 1lxf h TYR 5 CO 0.00 1.13 0.33 0.87 -1.05 0.00 0.00 178.16 179.45 1lxf h LYS 6 N 0.01 0.00 0.01 4.88 1.79 0.42 0.28 116.57 123.97 1lxf h LYS 6 Ca -0.28 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1lxf h LYS 6 Cb 2.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.65 1lxf h LYS 6 CO 0.09 0.00 -0.01 0.00 -1.08 0.00 0.00 179.45 178.45 1lxf h ALA 7 N 1.33 -0.02 0.07 3.86 0.00 -1.64 -2.81 119.26 120.05 1lxf h ALA 7 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1lxf h ALA 7 Cb 0.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1lxf h ALA 7 CO 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 179.25 179.12 1lxf h ALA 8 N -0.31 -0.17 -0.76 0.00 0.00 -1.30 0.58 119.26 117.29 1lxf h ALA 8 Ca -0.00 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.09 1lxf h ALA 8 Cb 0.65 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1lxf h ALA 8 CO 0.00 -0.62 0.53 -0.39 0.00 0.00 0.00 179.25 178.78 1lxf h VAL 9 N -0.21 0.67 0.15 0.00 -1.51 -1.16 0.28 116.25 114.46 1lxf h VAL 9 Ca 0.01 -0.05 -0.30 0.00 -1.23 0.00 0.00 66.70 65.14 1lxf h VAL 9 Cb 0.22 0.52 0.03 0.00 -2.13 0.00 0.00 31.29 29.93 1lxf h VAL 9 CO -0.05 0.02 -1.29 -0.33 -1.23 0.00 0.00 177.57 174.70 1lxf h GLU 10 N 0.13 0.56 -0.77 5.19 4.39 -0.85 -3.27 114.58 119.97 1lxf h GLU 10 Ca 0.37 -0.80 0.18 0.00 0.34 0.00 0.00 59.36 59.46 1lxf h GLU 10 Cb 1.27 0.27 -0.13 0.00 -0.10 0.00 0.00 28.75 30.06 1lxf h GLU 10 CO -0.05 1.36 0.05 1.96 -1.16 0.00 0.00 179.01 181.17 1lxf h GLN 11 N 0.22 0.12 -7.14 2.33 4.20 0.38 -3.40 115.11 111.83 1lxf h GLN 11 Ca -0.19 -0.01 -0.54 0.00 0.06 0.00 0.00 58.65 57.97 1lxf h GLN 11 Cb 1.97 -0.03 0.18 0.00 0.30 0.00 0.00 27.48 29.90 1lxf h GLN 11 CO 0.24 0.08 0.31 1.28 -0.67 0.00 0.00 178.83 180.07 1lxf n LEU 12 N -5.32 4.45 -4.90 1.46 4.77 -0.96 -5.00 117.00 111.51 1lxf n LEU 12 Ca 0.15 0.63 -0.30 0.00 -0.03 0.00 0.00 56.01 56.46 1lxf n LEU 12 Cb 0.50 -1.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.06 1lxf n LEU 12 CO 0.06 -1.68 0.17 0.42 -1.33 0.00 0.00 177.39 175.03 1lxf s THR 13 N -1.96 5.04 0.56 -5.08 -4.23 -1.26 -4.90 115.64 103.81 1lxf s THR 13 Ca 0.75 0.14 0.47 0.00 -1.18 0.00 0.00 61.69 61.86 1lxf s THR 13 Cb -0.31 -3.68 0.69 0.00 1.34 0.00 0.00 72.50 70.54 1lxf s THR 13 CO 0.49 -0.18 1.56 -0.08 -0.54 0.00 0.00 174.62 175.87 1lxf h GLU 14 N 2.12 0.00 0.00 3.99 4.81 -1.94 -0.46 114.58 123.10 1lxf h GLU 14 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1lxf h GLU 14 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1lxf h GLU 14 CO 0.68 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 179.35 1lxf n GLU 15 N -3.87 0.00 -0.34 1.92 -0.58 -1.26 0.22 120.64 116.72 1lxf n GLU 15 Ca 0.41 0.46 0.11 0.00 -0.42 0.00 0.00 57.16 57.72 1lxf n GLU 15 Cb 1.91 -1.35 0.29 0.00 -0.57 0.00 0.00 31.44 31.73 1lxf n GLU 15 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1lxf h GLN 16 N 0.00 0.74 -0.90 3.49 4.20 -1.50 0.40 115.11 121.54 1lxf h GLN 16 Ca 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1lxf h GLN 16 Cb 0.00 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 1lxf h GLN 16 CO 0.00 0.49 0.53 -0.22 -0.67 0.00 0.00 178.83 178.96 1lxf h LYS 17 N 0.76 1.23 0.30 1.46 1.63 -1.07 0.45 116.57 121.33 1lxf h LYS 17 Ca 0.55 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 60.21 1lxf h LYS 17 Cb 0.80 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1lxf h LYS 17 CO -0.37 0.87 -0.14 -0.91 -3.45 0.00 0.00 179.45 175.45 1lxf h ASN 18 N 1.25 -0.34 -0.68 4.20 2.35 0.69 -1.11 115.58 121.94 1lxf h ASN 18 Ca 0.32 0.01 0.20 0.00 -0.55 0.00 0.00 56.30 56.28 1lxf h ASN 18 Cb -0.03 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1lxf h ASN 18 CO -0.06 -0.21 0.68 1.05 -1.65 0.00 0.00 177.43 177.24 1lxf h GLU 19 N -0.48 0.00 0.54 0.81 4.11 -1.08 -0.59 114.58 117.88 1lxf h GLU 19 Ca -0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 1lxf h GLU 19 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1lxf h GLU 19 CO 0.07 0.00 -0.26 0.74 0.07 0.00 0.00 179.01 179.63 1lxf h PHE 20 N 0.00 -0.67 -0.87 2.06 0.04 -0.61 -2.76 116.94 114.12 1lxf h PHE 20 Ca 0.32 -0.02 0.25 0.00 2.80 0.00 0.00 57.97 61.33 1lxf h PHE 20 Cb 1.67 0.22 -0.03 0.00 2.20 0.00 0.00 35.95 40.01 1lxf h PHE 20 CO 0.00 -0.42 0.72 0.87 -0.60 0.00 0.00 178.31 178.88 1lxf h LYS 21 N -1.09 0.00 0.40 1.51 1.57 0.18 0.17 116.57 119.30 1lxf h LYS 21 Ca -0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1lxf h LYS 21 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1lxf h LYS 21 CO 0.12 0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 178.81 1lxf h ALA 22 N 1.38 -0.54 0.00 3.86 0.00 -1.22 -2.20 119.26 120.54 1lxf h ALA 22 Ca 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1lxf h ALA 22 Cb 1.85 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1lxf h ALA 22 CO -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 179.25 178.53 1lxf h ALA 23 N -0.17 1.00 0.00 0.00 0.00 -0.44 -0.30 119.26 119.35 1lxf h ALA 23 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1lxf h ALA 23 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1lxf h ALA 23 CO 0.09 0.00 -0.41 0.74 0.00 0.00 0.00 179.25 179.67 1lxf h PHE 24 N 0.00 0.00 -0.23 0.00 -1.00 -0.61 -2.15 116.94 112.94 1lxf h PHE 24 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1lxf h PHE 24 Cb 0.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1lxf h PHE 24 CO 0.00 0.41 0.00 -0.25 -1.61 0.00 0.00 178.31 176.86 1lxf n ASP 25 N -3.97 1.84 -0.01 2.17 9.92 -0.12 -3.93 116.55 122.45 1lxf n ASP 25 Ca -0.02 -2.12 -0.01 0.00 -0.53 0.00 0.00 54.79 52.11 1lxf n ASP 25 Cb 0.45 -0.32 -0.01 0.00 -0.64 0.00 0.00 41.12 40.60 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 0.22 0.07 0.26 0.53 2.08 -0.84 -3.77 119.36 117.92 1lxf n ILE 26 Ca 0.09 -0.02 0.16 0.00 0.56 0.00 0.00 62.75 63.53 1lxf n ILE 26 Cb 0.35 -0.95 0.80 0.00 -0.75 0.00 0.00 39.64 39.09 1lxf n ILE 26 CO 0.00 0.00 0.00 2.19 0.56 0.00 0.00 176.55 179.30 1lxf h PHE 27 N -0.02 0.00 -0.22 1.39 -5.15 -1.61 -2.28 116.94 109.05 1lxf h PHE 27 Ca -0.03 0.00 -0.21 0.00 -0.20 0.00 0.00 57.97 57.53 1lxf h PHE 27 Cb 1.04 0.00 -0.39 0.00 0.22 0.00 0.00 35.95 36.82 1lxf h PHE 27 CO -0.00 0.00 -1.07 1.33 -2.00 0.00 0.00 178.31 176.57 1lxf n VAL 28 N -2.61 0.64 0.32 0.88 0.24 -1.25 -4.60 118.33 111.95 1lxf n VAL 28 Ca -0.01 -1.96 0.04 0.00 -2.04 0.00 0.00 64.34 60.37 1lxf n VAL 28 Cb 0.09 1.15 0.19 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.07 0.00 -0.05 1.34 -0.00 -0.86 -2.26 117.00 115.11 1lxf n LEU 29 Ca 0.06 0.45 0.00 0.00 -0.00 0.00 0.00 56.01 56.52 1lxf n LEU 29 Cb 0.97 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1lxf n LEU 29 CO 0.01 -0.32 0.25 0.61 -0.00 0.00 0.00 177.39 177.95 1lxf n GLY 30 N -0.60 -2.57 3.88 1.47 0.00 -1.26 -5.03 105.19 101.08 1lxf n GLY 30 Ca 0.03 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 3.29 0.06 4.61 0.00 -0.96 -5.00 121.76 123.74 1lxf s ALA 31 Ca 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 51.96 51.44 1lxf s ALA 31 Cb 0.00 -2.78 -0.17 0.00 0.00 0.00 0.00 23.12 20.17 1lxf s ALA 31 CO 0.00 -0.33 1.60 1.49 0.00 0.00 0.00 175.76 178.52 1lxf h GLU 32 N 0.44 -0.23 0.00 0.00 4.22 -1.95 -3.44 114.58 113.61 1lxf h GLU 32 Ca -0.46 0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.99 1lxf h GLU 32 Cb 1.19 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1lxf h GLU 32 CO 0.62 -0.08 0.00 -0.40 -2.18 0.00 0.00 179.01 176.98 1lxf n ASP 33 N -5.15 0.00 -2.72 1.04 5.68 -1.26 -5.06 116.55 109.07 1lxf n ASP 33 Ca -0.09 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.12 1lxf n ASP 33 Cb 0.16 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.23 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 4.62 0.34 3.66 6.12 0.00 -1.26 -5.00 105.19 113.67 1lxf n GLY 34 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.41 2.29 0.73 0.00 1.01 -0.05 -4.61 121.20 119.16 1lxf s ILE 36 Ca 0.25 -3.49 -0.11 0.00 0.00 0.00 0.00 60.65 57.31 1lxf s ILE 36 Cb -0.11 -2.55 0.03 0.00 0.01 0.00 0.00 42.46 39.84 1lxf s ILE 36 CO 0.17 -0.93 1.07 -0.55 0.00 0.00 0.00 174.94 174.70 1lxf s SER 37 N -0.59 5.06 0.32 3.58 0.15 -1.26 -3.66 113.70 117.30 1lxf s SER 37 Ca 0.21 1.55 0.09 0.00 0.70 0.00 0.00 55.95 58.50 1lxf s SER 37 Cb -0.15 -2.37 0.91 0.00 -1.71 0.00 0.00 66.02 62.70 1lxf s SER 37 CO -0.08 -1.64 1.66 0.71 1.20 0.00 0.00 173.24 175.09 1lxf h THR 38 N -0.86 0.31 0.04 6.45 1.35 -1.90 -0.89 112.91 117.41 1lxf h THR 38 Ca -0.45 -0.10 -0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1lxf h THR 38 Cb 1.23 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1lxf h THR 38 CO 0.57 0.05 -0.02 0.11 -0.25 0.00 0.00 175.52 175.98 1lxf h LYS 39 N 0.28 -0.05 -0.91 4.72 6.56 -1.89 -3.30 116.57 121.98 1lxf h LYS 39 Ca 0.65 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 60.35 1lxf h LYS 39 Cb 1.40 0.01 -0.13 0.00 -0.57 0.00 0.00 32.23 32.94 1lxf h LYS 39 CO -0.63 0.62 -0.51 1.49 -2.06 0.00 0.00 179.45 178.36 1lxf h GLU 40 N -0.90 -0.05 -0.95 3.15 4.57 -1.56 1.00 114.58 119.84 1lxf h GLU 40 Ca -0.00 0.00 0.25 0.00 -1.18 0.00 0.00 59.36 58.43 1lxf h GLU 40 Cb 0.69 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.23 1lxf h GLU 40 CO 0.01 -0.03 0.65 1.25 -1.18 0.00 0.00 179.01 179.71 1lxf h LEU 41 N -0.05 0.21 -1.12 1.64 5.85 -1.37 0.34 115.31 120.81 1lxf h LEU 41 Ca 0.21 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1lxf h LEU 41 Cb 0.50 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1lxf h LEU 41 CO -0.90 0.07 0.09 0.61 -0.34 0.00 0.00 178.44 177.96 1lxf n GLY 42 N -1.61 -0.75 0.08 3.75 0.00 0.34 -0.86 105.19 106.14 1lxf n GLY 42 Ca 0.21 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 1lxf n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1lxf h LYS 43 N 0.00 0.12 0.18 1.61 3.64 -0.33 -3.13 116.57 118.66 1lxf h LYS 43 Ca 0.00 -0.21 -0.35 0.00 -1.27 0.00 0.00 60.65 58.82 1lxf h LYS 43 Cb 0.18 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1lxf h LYS 43 CO 0.00 1.08 -1.76 0.28 -2.27 0.00 0.00 179.45 176.78 1lxf h VAL 44 N 0.03 0.92 -0.21 2.00 2.07 -1.14 -3.34 116.25 116.59 1lxf h VAL 44 Ca -0.08 -2.52 0.01 0.00 0.82 0.00 0.00 66.70 64.93 1lxf h VAL 44 Cb 1.87 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 34.37 1lxf h VAL 44 CO 0.16 0.86 0.12 0.24 0.02 0.00 0.00 177.57 178.97 1lxf h MET 45 N 0.10 0.24 -0.21 1.57 2.86 -1.55 -1.22 114.93 116.73 1lxf h MET 45 Ca -0.34 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.34 1lxf h MET 45 Cb 2.09 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.69 1lxf h MET 45 CO 0.17 0.16 0.25 0.07 1.06 0.00 0.00 176.91 178.62 1lxf h ARG 46 N 0.25 0.00 0.05 1.72 0.11 -0.74 -1.16 114.38 114.61 1lxf h ARG 46 Ca 0.08 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.06 1lxf h ARG 46 Cb -0.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 1lxf h ARG 46 CO -0.04 0.00 -0.42 0.52 0.10 0.00 0.00 179.97 180.13 1lxf h MET 47 N 0.00 0.19 0.00 0.08 0.00 -1.36 -3.40 114.93 110.44 1lxf h MET 47 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 59.70 59.52 1lxf h MET 47 Cb 0.60 0.10 0.00 0.00 0.00 0.00 0.00 31.60 32.30 1lxf h MET 47 CO -0.00 1.08 0.00 1.28 0.00 0.00 0.00 176.91 179.27 1lxf n LEU 48 N -4.37 0.00 -1.00 1.22 4.32 -0.49 -4.86 117.00 111.82 1lxf n LEU 48 Ca -0.11 0.62 -0.00 0.00 -0.02 0.00 0.00 56.01 56.49 1lxf n LEU 48 Cb 0.63 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1lxf n LEU 48 CO 0.42 -0.12 0.13 0.61 -1.22 0.00 0.00 177.39 177.21 1lxf n GLY 49 N -0.72 -0.63 3.64 -0.72 0.00 -0.98 -5.12 105.19 100.65 1lxf n GLY 49 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.74 -0.77 1.61 -0.21 -0.89 -5.04 119.66 115.10 1lxf s GLN 50 Ca 0.00 1.10 -0.02 0.00 0.02 0.00 0.00 55.36 56.46 1lxf s GLN 50 Cb 0.01 0.24 0.19 0.00 1.00 0.00 0.00 33.01 34.46 1lxf s GLN 50 CO -0.00 -0.13 0.62 1.21 -2.12 0.00 0.00 175.29 174.88 1lxf s ASN 51 N 1.11 5.60 0.98 5.90 2.47 -1.26 -0.52 114.94 129.22 1lxf s ASN 51 Ca -0.06 -3.39 -0.16 0.00 0.42 0.00 0.00 52.86 49.67 1lxf s ASN 51 Cb -0.05 -1.87 0.19 0.00 -1.45 0.00 0.00 41.25 38.08 1lxf s ASN 51 CO -0.11 -0.25 1.23 -2.16 -3.72 0.00 0.00 177.10 172.09 1lxf s PRO 52 N -0.85 0.50 0.54 0.43 0.04 -1.26 -5.01 135.00 129.38 1lxf s PRO 52 Ca 0.23 -0.16 0.02 0.00 0.04 0.00 0.00 61.00 61.13 1lxf s PRO 52 Cb -0.12 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1lxf s PRO 52 CO -0.09 -2.55 0.13 0.95 0.04 0.00 0.00 177.00 175.48 1lxf s THR 53 N -3.56 1.21 -0.78 1.26 -4.23 -1.26 -4.90 115.64 103.38 1lxf s THR 53 Ca 0.70 -1.84 0.26 0.00 -1.18 0.00 0.00 61.69 59.64 1lxf s THR 53 Cb -0.08 -2.04 0.24 0.00 1.34 0.00 0.00 72.50 71.96 1lxf s THR 53 CO 0.53 0.00 1.73 -0.81 -0.54 0.00 0.00 174.62 175.53 1lxf n PRO 54 N -1.46 0.21 0.05 3.99 -0.04 -1.26 -1.57 135.00 134.92 1lxf n PRO 54 Ca -0.15 0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 1lxf n PRO 54 Cb 0.66 -1.73 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 1lxf n PRO 54 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1lxf h GLU 55 N 0.00 0.12 0.11 0.54 4.11 -1.96 -3.12 114.58 114.38 1lxf h GLU 55 Ca 0.00 -0.20 -0.35 0.00 0.07 0.00 0.00 59.36 58.88 1lxf h GLU 55 Cb 0.69 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1lxf h GLU 55 CO 0.00 0.98 -1.89 0.39 0.07 0.00 0.00 179.01 178.56 1lxf n GLU 56 N -3.36 0.74 -0.19 1.06 1.02 -1.22 -4.24 120.64 114.45 1lxf n GLU 56 Ca -0.09 0.31 -0.03 0.00 -0.02 0.00 0.00 57.16 57.33 1lxf n GLU 56 Cb 1.00 -1.72 0.07 0.00 -0.02 0.00 0.00 31.44 30.77 1lxf n GLU 56 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1lxf h LEU 57 N -0.08 0.38 -0.95 -4.62 3.38 -1.44 -1.94 115.31 110.04 1lxf h LEU 57 Ca -0.41 0.04 0.27 0.00 0.09 0.00 0.00 57.88 57.87 1lxf h LEU 57 Cb 1.94 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 42.49 1lxf h LEU 57 CO 0.05 0.25 0.13 -0.61 0.09 0.00 0.00 178.44 178.36 1lxf h GLN 58 N 0.52 0.06 -0.78 1.13 5.75 -1.72 2.01 115.11 122.08 1lxf h GLN 58 Ca 0.25 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.83 1lxf h GLN 58 Cb 0.18 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.67 1lxf h GLN 58 CO -0.19 0.04 0.51 1.49 -2.65 0.00 0.00 178.83 178.04 1lxf h GLU 59 N 0.06 0.76 0.00 1.69 4.57 -1.55 0.31 114.58 120.43 1lxf h GLU 59 Ca 0.60 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.73 1lxf h GLU 59 Cb 1.28 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1lxf h GLU 59 CO -0.82 0.51 -0.00 0.52 -1.18 0.00 0.00 179.01 178.03 1lxf h MET 60 N 0.79 0.00 0.00 1.92 2.86 0.31 -3.27 114.93 117.54 1lxf h MET 60 Ca 0.35 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.96 1lxf h MET 60 Cb 0.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1lxf h MET 60 CO -0.13 0.00 -0.15 0.82 1.06 0.00 0.00 176.91 178.52 1lxf h ILE 61 N 0.00 1.40 -1.29 -1.22 1.08 0.14 -3.29 117.51 114.32 1lxf h ILE 61 Ca -0.00 -2.10 0.37 0.00 -0.39 0.00 0.00 64.86 62.74 1lxf h ILE 61 Cb 0.76 2.69 -0.05 0.00 -3.07 0.00 0.00 36.82 37.16 1lxf h ILE 61 CO 0.00 0.47 1.08 -0.78 -0.69 0.00 0.00 178.15 178.23 1lxf h ASP 62 N -1.00 0.00 -0.16 1.72 1.82 -0.95 2.13 116.42 119.98 1lxf h ASP 62 Ca -0.04 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1lxf h ASP 62 Cb 0.88 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 1lxf h ASP 62 CO -0.02 0.00 0.10 -0.33 -1.61 0.00 0.00 179.24 177.37 1lxf h GLU 63 N 0.00 0.22 0.00 0.28 5.08 -1.63 -3.12 114.58 115.41 1lxf h GLU 63 Ca 0.61 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.71 1lxf h GLU 63 Cb 2.77 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 31.92 1lxf h GLU 63 CO -0.01 0.16 -1.95 1.33 -1.00 0.00 0.00 179.01 177.54 1lxf n VAL 64 N -4.50 0.96 -0.53 3.13 0.24 0.66 -4.69 118.33 113.59 1lxf n VAL 64 Ca -0.01 -0.44 -0.17 0.00 -2.04 0.00 0.00 64.34 61.69 1lxf n VAL 64 Cb 0.09 -0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 31.50 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 -2.82 3.30 0.13 -1.34 9.92 0.23 -4.42 116.55 121.55 1lxf n ASP 65 Ca -0.27 -2.24 0.12 0.00 -0.53 0.00 0.00 54.79 51.87 1lxf n ASP 65 Cb 0.86 -0.91 0.47 0.00 -0.64 0.00 0.00 41.12 40.90 1lxf n ASP 65 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1lxf n GLU 66 N 4.62 0.22 -0.00 -1.24 -0.58 -1.26 -2.31 120.64 120.10 1lxf n GLU 66 Ca 0.32 0.36 0.10 0.00 -0.42 0.00 0.00 57.16 57.52 1lxf n GLU 66 Cb 0.11 -1.86 -0.12 0.00 -0.57 0.00 0.00 31.44 28.99 1lxf n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1lxf n ASP 67 N -2.26 0.90 -0.19 1.62 5.68 -1.26 -4.96 116.55 116.08 1lxf n ASP 67 Ca 0.03 -0.90 -0.03 0.00 -0.50 0.00 0.00 54.79 53.39 1lxf n ASP 67 Cb 0.29 1.10 -0.01 0.00 -1.14 0.00 0.00 41.12 41.36 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 1.48 0.57 0.37 6.12 0.00 -0.98 -4.87 105.19 107.87 1lxf n GLY 68 Ca 0.03 -0.35 0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.45 113.55 114.42 1lxf h SER 69 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1lxf h SER 69 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1lxf h SER 69 CO 0.08 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1lxf n GLY 70 N -1.54 2.91 3.58 -0.77 0.00 -1.26 -5.03 105.19 103.09 1lxf n GLY 70 Ca 0.06 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.72 2.59 -0.35 2.61 -4.23 -1.26 -4.65 115.64 107.63 1lxf s THR 71 Ca 0.00 -2.11 -0.02 0.00 -1.18 0.00 0.00 61.69 58.39 1lxf s THR 71 Cb 0.00 -2.67 0.08 0.00 1.34 0.00 0.00 72.50 71.25 1lxf s THR 71 CO 0.00 -0.26 0.09 -0.69 -0.54 0.00 0.00 174.62 173.22 1lxf s VAL 72 N -2.52 3.02 0.00 2.29 1.01 -1.24 -4.79 120.40 118.18 1lxf s VAL 72 Ca 0.33 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.53 1lxf s VAL 72 Cb -0.01 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1lxf s VAL 72 CO 0.18 -0.40 0.00 -0.90 0.00 0.00 0.00 175.10 173.97 1lxf n ASP 73 N 4.57 -1.30 0.10 3.32 5.68 -1.25 -0.87 116.55 126.79 1lxf n ASP 73 Ca -0.07 -0.02 -0.22 0.00 -0.50 0.00 0.00 54.79 53.99 1lxf n ASP 73 Cb 0.42 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.27 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 -1.64 0.96 0.00 2.11 3.04 -1.89 -3.15 116.94 116.37 1lxf h PHE 74 Ca 0.00 -0.62 0.00 0.00 3.98 0.00 0.00 57.97 61.33 1lxf h PHE 74 Cb 0.00 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.44 1lxf h PHE 74 CO 0.00 1.46 0.00 -0.25 -2.02 0.00 0.00 178.31 177.50 1lxf n ASP 75 N -3.76 0.00 -0.40 0.41 8.00 -1.26 -2.96 116.55 116.58 1lxf n ASP 75 Ca -0.13 0.47 0.33 0.00 0.71 0.00 0.00 54.79 56.17 1lxf n ASP 75 Cb 1.00 0.00 0.61 0.00 -0.02 0.00 0.00 41.12 42.70 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 0.12 -0.87 -1.24 4.11 -1.95 0.44 114.58 115.20 1lxf h GLU 76 Ca 0.00 -0.01 0.23 0.00 0.07 0.00 0.00 59.36 59.65 1lxf h GLU 76 Cb 0.00 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.09 1lxf h GLU 76 CO 0.00 0.08 0.26 0.35 0.07 0.00 0.00 179.01 179.77 1lxf h PHE 77 N 0.12 0.39 0.37 2.06 3.57 -1.48 0.06 116.94 122.04 1lxf h PHE 77 Ca 0.80 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 62.33 1lxf h PHE 77 Cb 2.33 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 41.04 1lxf h PHE 77 CO -0.01 -0.17 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.65 1lxf h LEU 78 N 0.24 -0.42 -1.09 0.59 3.38 0.00 -3.22 115.31 114.79 1lxf h LEU 78 Ca 0.54 0.01 0.41 0.00 0.09 0.00 0.00 57.88 58.93 1lxf h LEU 78 Cb 1.07 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.78 1lxf h LEU 78 CO -0.62 0.02 0.66 0.52 0.09 0.00 0.00 178.44 179.10 1lxf n VAL 79 N -5.11 -0.30 -0.02 1.22 0.31 -0.87 -0.50 118.33 113.06 1lxf n VAL 79 Ca -0.06 1.73 -0.02 0.00 -0.01 0.00 0.00 64.34 65.98 1lxf n VAL 79 Cb 0.20 -2.82 -0.01 0.00 -0.91 0.00 0.00 33.84 30.29 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 -0.05 -0.19 5.55 1.85 -1.01 0.38 114.93 121.46 1lxf h MET 80 Ca 0.79 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.90 1lxf h MET 80 Cb 2.32 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 34.34 1lxf h MET 80 CO -0.55 -0.04 -0.19 0.52 -0.40 0.00 0.00 176.91 176.25 1lxf h MET 81 N -0.06 -0.10 -1.52 0.39 2.07 -0.93 0.82 114.93 115.61 1lxf h MET 81 Ca 0.01 0.01 0.44 0.00 -2.07 0.00 0.00 59.70 58.09 1lxf h MET 81 Cb 0.09 0.02 -0.07 0.00 -1.87 0.00 0.00 31.60 29.77 1lxf h MET 81 CO -0.09 -0.06 1.08 0.28 1.07 0.00 0.00 176.91 179.18 1lxf h VAL 82 N -0.10 0.22 0.14 -2.22 2.07 -1.42 1.90 116.25 116.84 1lxf h VAL 82 Ca 0.03 -0.01 -0.29 0.00 0.82 0.00 0.00 66.70 67.25 1lxf h VAL 82 Cb 0.19 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1lxf h VAL 82 CO -0.24 0.01 -1.36 0.03 0.02 0.00 0.00 177.57 176.03 1lxf h ARG 83 N 0.03 0.29 0.22 1.57 3.08 0.45 -3.29 114.38 116.72 1lxf h ARG 83 Ca 0.75 -0.49 -0.32 0.00 0.07 0.00 0.00 59.98 59.98 1lxf h ARG 83 Cb 2.88 0.18 0.03 0.00 0.08 0.00 0.00 29.97 33.14 1lxf h ARG 83 CO -0.07 1.21 -1.44 0.00 -1.07 0.00 0.00 179.97 178.59 1lxf h MET 85 N 0.13 0.17 -4.49 0.00 2.86 0.22 -0.29 114.93 113.52 1lxf h MET 85 Ca -0.23 -0.01 -0.72 0.00 -2.06 0.00 0.00 59.70 56.68 1lxf h MET 85 Cb 2.12 -0.04 -0.21 0.00 0.06 0.00 0.00 31.60 33.53 1lxf h MET 85 CO 0.25 0.11 -0.08 0.15 1.06 0.00 0.00 176.91 178.40 1lxf s LYS 86 N -5.18 3.03 -1.13 1.72 1.02 -1.23 -4.45 119.74 113.52 1lxf s LYS 86 Ca -0.06 -1.36 -0.03 0.00 0.02 0.00 0.00 55.97 54.53 1lxf s LYS 86 Cb 0.22 -4.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 1lxf s LYS 86 CO 0.77 -1.33 0.94 -0.25 -0.92 0.00 0.00 175.35 174.57 1lxf n ASP 87 N 5.78 -4.30 -4.46 2.83 8.00 -1.25 -4.77 116.55 118.38 1lxf n ASP 87 Ca -0.11 -0.68 -0.58 0.00 0.71 0.00 0.00 54.79 54.13 1lxf n ASP 87 Cb 0.42 -5.07 -0.09 0.00 -0.02 0.00 0.00 41.12 36.36 1lxf n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1lxf n ASP 88 N -3.16 1.54 0.00 -2.24 2.03 -0.12 -4.96 116.55 109.64 1lxf n ASP 88 Ca -0.18 0.74 0.00 0.00 0.52 0.00 0.00 54.79 55.87 1lxf n ASP 88 Cb 0.64 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1lxf n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74