#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxf s ASP 2 N 0.00 6.85 -0.10 7.83 1.11 -1.26 -4.82 116.67 126.28 1lxf s ASP 2 Ca 0.00 -3.48 -0.21 0.00 0.18 0.00 0.00 52.55 49.04 1lxf s ASP 2 Cb 0.00 -2.12 -0.28 0.00 1.07 0.00 0.00 42.92 41.59 1lxf s ASP 2 CO 0.00 -0.30 0.68 0.44 1.18 0.00 0.00 175.17 177.16 1lxf h ASP 3 N 6.67 0.29 -1.37 0.27 5.19 -2.06 -3.07 116.42 122.33 1lxf h ASP 3 Ca 0.16 -0.88 0.40 0.00 -0.62 0.00 0.00 57.03 56.09 1lxf h ASP 3 Cb 0.88 -0.10 -0.06 0.00 0.18 0.00 0.00 39.33 40.24 1lxf h ASP 3 CO 0.93 1.40 0.98 0.16 -3.12 0.00 0.00 179.24 179.59 1lxf h ILE 4 N -0.54 0.30 0.00 0.35 -2.65 -2.02 1.09 117.51 114.03 1lxf h ILE 4 Ca -0.19 -0.01 -0.25 0.00 1.03 0.00 0.00 64.86 65.43 1lxf h ILE 4 Cb 1.52 0.27 -0.04 0.00 -2.05 0.00 0.00 36.82 36.52 1lxf h ILE 4 CO 0.05 0.01 -1.46 1.88 0.03 0.00 0.00 178.15 178.65 1lxf h TYR 5 N 0.03 0.00 -0.44 0.16 0.05 -1.97 -3.28 116.97 111.52 1lxf h TYR 5 Ca 0.67 0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.57 1lxf h TYR 5 Cb 2.60 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 40.32 1lxf h TYR 5 CO -0.00 0.95 0.31 0.87 -1.05 0.00 0.00 178.16 179.24 1lxf h LYS 6 N 0.00 0.06 0.03 4.88 1.79 0.13 0.36 116.57 123.82 1lxf h LYS 6 Ca -0.19 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1lxf h LYS 6 Cb 1.90 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.53 1lxf h LYS 6 CO 0.09 0.04 -0.02 0.00 -1.08 0.00 0.00 179.45 178.48 1lxf h ALA 7 N 1.78 -0.05 -1.21 3.86 0.00 -1.58 -2.33 119.26 119.74 1lxf h ALA 7 Ca 0.21 -0.07 0.35 0.00 0.00 0.00 0.00 54.91 55.40 1lxf h ALA 7 Cb 0.75 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1lxf h ALA 7 CO -0.01 -0.04 0.84 0.00 0.00 0.00 0.00 179.25 180.03 1lxf h ALA 8 N -0.89 2.88 0.00 0.00 0.00 -1.54 2.03 119.26 121.74 1lxf h ALA 8 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1lxf h ALA 8 Cb 0.15 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1lxf h ALA 8 CO 0.01 -1.28 -0.77 0.28 0.00 0.00 0.00 179.25 177.48 1lxf h VAL 9 N 0.12 1.36 0.00 0.00 2.07 -1.00 -3.18 116.25 115.62 1lxf h VAL 9 Ca 0.62 -2.84 -0.09 0.00 0.82 0.00 0.00 66.70 65.22 1lxf h VAL 9 Cb 2.18 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 34.55 1lxf h VAL 9 CO -0.13 0.76 -0.66 -0.33 0.02 0.00 0.00 177.57 177.23 1lxf h GLU 10 N 0.00 0.00 -0.15 1.57 4.39 0.34 -3.31 114.58 117.42 1lxf h GLU 10 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1lxf h GLU 10 Cb 1.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.20 1lxf h GLU 10 CO 0.10 0.31 0.07 1.96 -1.16 0.00 0.00 179.01 180.30 1lxf h GLN 11 N 0.00 0.21 -6.17 2.33 4.20 0.63 -3.44 115.11 112.86 1lxf h GLN 11 Ca -0.04 -0.03 -0.58 0.00 0.06 0.00 0.00 58.65 58.07 1lxf h GLN 11 Cb 1.32 -0.04 0.19 0.00 0.30 0.00 0.00 27.48 29.25 1lxf h GLN 11 CO 0.04 0.24 -1.10 1.28 -0.67 0.00 0.00 178.83 178.63 1lxf n LEU 12 N -4.92 -2.93 -4.86 1.46 4.77 -1.23 -4.92 117.00 104.38 1lxf n LEU 12 Ca -0.05 0.55 -0.32 0.00 -0.03 0.00 0.00 56.01 56.16 1lxf n LEU 12 Cb 0.08 -0.93 -0.05 0.00 -2.33 0.00 0.00 43.42 40.19 1lxf n LEU 12 CO 0.34 -4.59 0.43 0.42 -1.33 0.00 0.00 177.39 172.67 1lxf s THR 13 N -1.96 4.71 0.54 -5.08 -4.23 -1.26 -4.92 115.64 103.44 1lxf s THR 13 Ca 0.56 0.84 0.44 0.00 -1.18 0.00 0.00 61.69 62.35 1lxf s THR 13 Cb -0.39 -3.65 0.66 0.00 1.34 0.00 0.00 72.50 70.45 1lxf s THR 13 CO 0.67 -0.32 1.67 1.05 -0.54 0.00 0.00 174.62 177.15 1lxf h GLU 14 N 1.86 0.01 0.00 3.99 4.11 -1.94 -1.83 114.58 120.78 1lxf h GLU 14 Ca -0.48 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1lxf h GLU 14 Cb 1.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1lxf h GLU 14 CO 0.65 0.01 0.00 0.39 0.07 0.00 0.00 179.01 180.12 1lxf n GLU 15 N -4.08 0.00 -0.34 1.06 -0.58 -1.26 -2.29 120.64 113.15 1lxf n GLU 15 Ca 0.37 0.30 0.27 0.00 -0.42 0.00 0.00 57.16 57.68 1lxf n GLU 15 Cb 1.69 -1.26 0.51 0.00 -0.57 0.00 0.00 31.44 31.81 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 0.24 -0.21 3.49 4.20 -1.74 2.24 115.11 123.34 1lxf h GLN 16 Ca 0.00 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.76 1lxf h GLN 16 Cb 0.00 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1lxf h GLN 16 CO 0.00 0.16 0.26 0.87 -0.67 0.00 0.00 178.83 179.45 1lxf h LYS 17 N 0.25 0.00 0.00 1.46 1.79 -1.26 -1.68 116.57 117.13 1lxf h LYS 17 Ca 0.76 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.23 1lxf h LYS 17 Cb 1.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.51 1lxf h LYS 17 CO -0.60 0.00 -0.08 -0.91 -1.08 0.00 0.00 179.45 176.78 1lxf h ASN 18 N 0.00 0.00 -0.97 0.86 2.35 0.42 -3.36 115.58 114.87 1lxf h ASN 18 Ca 0.10 0.00 0.39 0.00 -0.55 0.00 0.00 56.30 56.24 1lxf h ASN 18 Cb 0.62 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.84 1lxf h ASN 18 CO -0.00 0.12 0.56 -1.84 -1.65 0.00 0.00 177.43 174.61 1lxf n GLU 19 N -2.62 -0.05 -0.12 0.81 -0.00 -0.92 0.17 120.64 117.92 1lxf n GLU 19 Ca -0.01 1.20 -0.05 0.00 -0.00 0.00 0.00 57.16 58.29 1lxf n GLU 19 Cb 0.04 -2.20 0.03 0.00 -0.00 0.00 0.00 31.44 29.31 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 0.18 -0.65 -1.84 0.04 -1.49 -1.87 116.94 111.31 1lxf h PHE 20 Ca 0.76 0.02 0.09 0.00 2.80 0.00 0.00 57.97 61.64 1lxf h PHE 20 Cb 2.13 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 40.19 1lxf h PHE 20 CO -0.01 0.05 0.29 0.87 -0.60 0.00 0.00 178.31 178.92 1lxf h LYS 21 N 0.25 0.50 -0.62 1.51 1.57 0.17 -0.88 116.57 119.06 1lxf h LYS 21 Ca 0.18 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.06 1lxf h LYS 21 Cb 0.20 -0.11 -0.11 0.00 0.08 0.00 0.00 32.23 32.28 1lxf h LYS 21 CO -0.22 0.33 -0.09 0.00 -0.57 0.00 0.00 179.45 178.90 1lxf h ALA 22 N 1.41 0.50 -0.08 3.86 0.00 -1.16 0.49 119.26 124.28 1lxf h ALA 22 Ca 0.32 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.37 1lxf h ALA 22 Cb 0.34 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1lxf h ALA 22 CO -0.27 -0.42 -0.30 0.00 0.00 0.00 0.00 179.25 178.26 1lxf h ALA 23 N 1.60 1.35 0.00 0.00 0.00 -1.08 -1.88 119.26 119.25 1lxf h ALA 23 Ca 0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1lxf h ALA 23 Cb 0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1lxf h ALA 23 CO -0.60 0.46 -0.03 0.74 0.00 0.00 0.00 179.25 179.82 1lxf h PHE 24 N 0.13 0.00 -0.06 0.00 0.04 0.13 0.27 116.94 117.44 1lxf h PHE 24 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1lxf h PHE 24 Cb 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1lxf h PHE 24 CO 0.01 0.03 0.00 -0.25 -0.60 0.00 0.00 178.31 177.50 1lxf n ASP 25 N -3.88 1.00 -0.07 2.17 8.00 -0.61 -3.40 116.55 119.75 1lxf n ASP 25 Ca -0.03 -1.47 -0.15 0.00 0.71 0.00 0.00 54.79 53.84 1lxf n ASP 25 Cb 0.12 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 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 -0.17 0.81 -0.11 0.53 2.08 0.84 -3.65 119.36 119.69 1lxf n ILE 26 Ca 0.18 -0.21 -0.05 0.00 0.56 0.00 0.00 62.75 63.22 1lxf n ILE 26 Cb 0.24 -1.64 0.02 0.00 -0.75 0.00 0.00 39.64 37.51 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 -0.49 0.12 -0.71 1.39 0.04 -1.41 -1.71 116.94 114.17 1lxf h PHE 27 Ca -0.37 0.02 -0.41 0.00 2.80 0.00 0.00 57.97 60.01 1lxf h PHE 27 Cb 1.34 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 39.26 1lxf h PHE 27 CO -0.04 0.01 0.26 1.33 -0.60 0.00 0.00 178.31 179.27 1lxf n VAL 28 N -5.10 2.95 0.19 -0.55 0.24 -1.22 -4.59 118.33 110.26 1lxf n VAL 28 Ca 0.02 -2.62 0.05 0.00 -2.04 0.00 0.00 64.34 59.75 1lxf n VAL 28 Cb 0.17 -0.57 0.25 0.00 -1.47 0.00 0.00 33.84 32.22 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 -1.07 0.19 -1.93 1.34 -0.00 -0.64 -2.75 117.00 112.13 1lxf n LEU 29 Ca 0.48 0.57 -0.02 0.00 -0.00 0.00 0.00 56.01 57.04 1lxf n LEU 29 Cb 1.20 -0.58 0.03 0.00 -0.00 0.00 0.00 43.42 44.07 1lxf n LEU 29 CO 0.45 -0.54 0.35 0.61 -0.00 0.00 0.00 177.39 178.25 1lxf n GLY 30 N -0.94 1.30 0.00 1.47 0.00 -1.26 -5.02 105.19 100.74 1lxf n GLY 30 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.54 0.00 -0.13 4.61 0.00 -1.11 -5.05 120.51 118.29 1lxf n ALA 31 Ca -0.14 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 1lxf n ALA 31 Cb 0.85 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.83 0.64 0.00 0.00 4.07 -1.26 -4.96 120.64 118.30 1lxf n GLU 32 Ca 0.00 0.16 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 1lxf n GLU 32 Cb 0.00 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 29.87 1lxf n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1lxf n ASP 33 N -3.36 0.00 -2.07 4.31 5.75 -1.26 -5.06 116.55 114.86 1lxf n ASP 33 Ca -0.47 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.30 1lxf n ASP 33 Cb 0.98 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 41.10 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 4.27 -0.05 3.56 6.12 0.00 -1.26 -5.09 105.19 112.75 1lxf n GLY 34 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.96 5.14 0.57 0.00 1.01 0.11 -4.48 121.20 121.60 1lxf s ILE 36 Ca 0.27 -2.74 -0.19 0.00 0.00 0.00 0.00 60.65 57.98 1lxf s ILE 36 Cb -0.08 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1lxf s ILE 36 CO 0.16 -1.01 1.21 -0.55 0.00 0.00 0.00 174.94 174.74 1lxf s SER 37 N 1.62 5.35 0.29 3.58 0.15 -1.26 -3.13 113.70 120.30 1lxf s SER 37 Ca 0.19 2.39 0.01 0.00 0.70 0.00 0.00 55.95 59.24 1lxf s SER 37 Cb -0.12 -2.60 0.69 0.00 -1.71 0.00 0.00 66.02 62.28 1lxf s SER 37 CO -0.08 -1.49 1.62 0.71 1.20 0.00 0.00 173.24 175.20 1lxf h THR 38 N 1.06 0.21 0.54 6.45 1.35 -1.94 0.19 112.91 120.77 1lxf h THR 38 Ca -0.50 -0.04 -0.03 0.00 -0.55 0.00 0.00 66.41 65.29 1lxf h THR 38 Cb 1.29 0.09 0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1lxf h THR 38 CO 0.56 0.02 -0.26 0.11 -0.25 0.00 0.00 175.52 175.70 1lxf h LYS 39 N 0.11 -0.70 -1.45 4.72 1.57 -1.91 -3.06 116.57 115.85 1lxf h LYS 39 Ca 0.55 0.05 0.42 0.00 -1.87 0.00 0.00 60.65 59.80 1lxf h LYS 39 Cb 1.11 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 33.52 1lxf h LYS 39 CO -0.75 -0.46 1.04 0.93 -0.57 0.00 0.00 179.45 179.63 1lxf h GLU 40 N -1.04 0.02 -0.16 3.15 4.39 -1.64 1.48 114.58 120.78 1lxf h GLU 40 Ca -0.07 -0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 1lxf h GLU 40 Cb 0.55 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1lxf h GLU 40 CO 0.12 0.01 -0.32 1.25 -1.16 0.00 0.00 179.01 178.92 1lxf h LEU 41 N 0.02 0.31 -1.82 1.33 5.85 -0.57 -2.59 115.31 117.85 1lxf h LEU 41 Ca 0.70 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.29 1lxf h LEU 41 Cb 2.76 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 43.70 1lxf h LEU 41 CO -0.03 0.62 -0.11 1.23 -0.34 0.00 0.00 178.44 179.80 1lxf h GLY 42 N 1.08 0.00 0.95 3.75 0.00 0.22 -2.15 103.07 106.91 1lxf h GLY 42 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1lxf h GLY 42 CO 0.05 0.00 -0.06 0.50 0.00 0.00 0.00 176.54 177.04 1lxf h LYS 43 N 0.00 0.71 0.47 4.80 1.57 -1.42 -2.29 116.57 120.40 1lxf h LYS 43 Ca -0.00 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1lxf h LYS 43 Cb 0.20 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1lxf h LYS 43 CO 0.01 0.84 -0.22 0.28 -0.57 0.00 0.00 179.45 179.79 1lxf h VAL 44 N 0.51 0.00 -0.97 0.50 2.07 -1.47 -3.12 116.25 113.78 1lxf h VAL 44 Ca 0.10 -0.25 0.18 0.00 0.82 0.00 0.00 66.70 67.55 1lxf h VAL 44 Cb 0.55 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.15 1lxf h VAL 44 CO 0.03 0.00 -0.29 0.24 0.02 0.00 0.00 177.57 177.57 1lxf h MET 45 N -0.87 -0.01 -1.19 1.57 2.86 -1.50 1.98 114.93 117.77 1lxf h MET 45 Ca -0.06 0.00 0.34 0.00 -2.06 0.00 0.00 59.70 57.92 1lxf h MET 45 Cb 0.48 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.07 1lxf h MET 45 CO 0.11 -0.00 0.82 0.00 1.06 0.00 0.00 176.91 178.89 1lxf h ARG 46 N -0.01 0.14 0.00 1.72 3.08 0.16 2.12 114.38 121.60 1lxf h ARG 46 Ca 0.42 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1lxf h ARG 46 Cb 0.67 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1lxf h ARG 46 CO -0.99 0.09 0.00 -1.33 -1.07 0.00 0.00 179.97 176.67 1lxf n MET 47 N -4.37 0.24 -1.80 0.04 2.81 0.67 -3.31 117.12 111.39 1lxf n MET 47 Ca 0.28 0.29 -0.32 0.00 -1.81 0.00 0.00 57.70 56.14 1lxf n MET 47 Cb 1.18 -1.83 0.04 0.00 -0.71 0.00 0.00 33.22 31.90 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 -2.27 6.45 -1.36 4.03 4.32 0.71 -4.86 117.00 124.02 1lxf n LEU 48 Ca 0.04 -4.66 -0.14 0.00 -0.02 0.00 0.00 56.01 51.24 1lxf n LEU 48 Cb 0.36 -0.74 -0.06 0.00 -1.62 0.00 0.00 43.42 41.37 1lxf n LEU 48 CO 0.27 1.82 -0.13 0.61 -1.22 0.00 0.00 177.39 178.74 1lxf n GLY 49 N -0.73 1.30 3.05 -0.72 0.00 -1.21 -4.91 105.19 101.98 1lxf n GLY 49 Ca 0.52 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.13 2.52 -0.62 1.61 -0.21 -0.73 -5.00 119.66 114.08 1lxf s GLN 50 Ca 0.00 -0.65 0.05 0.00 0.02 0.00 0.00 55.36 54.78 1lxf s GLN 50 Cb 0.00 -2.24 0.15 0.00 1.00 0.00 0.00 33.01 31.92 1lxf s GLN 50 CO 0.00 -0.22 0.39 1.21 -2.12 0.00 0.00 175.29 174.55 1lxf s ASN 51 N 1.39 4.60 0.39 5.90 2.47 -1.26 0.13 114.94 128.55 1lxf s ASN 51 Ca 0.04 -3.47 0.00 0.00 0.42 0.00 0.00 52.86 49.85 1lxf s ASN 51 Cb -0.13 -1.64 0.00 0.00 -1.45 0.00 0.00 41.25 38.03 1lxf s ASN 51 CO -0.11 -0.15 0.00 -0.81 -3.72 0.00 0.00 177.10 172.31 1lxf n PRO 52 N 2.49 0.63 -4.44 0.43 -0.04 -1.26 -5.04 135.00 127.77 1lxf n PRO 52 Ca 0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.37 1lxf n PRO 52 Cb 0.34 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.70 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 -0.36 0.80 -0.50 0.52 -4.23 -1.26 -5.02 115.64 105.59 1lxf s THR 53 Ca 0.00 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.75 1lxf s THR 53 Cb 0.00 -2.59 0.32 0.00 1.34 0.00 0.00 72.50 71.57 1lxf s THR 53 CO 0.00 0.00 1.64 1.55 -0.54 0.00 0.00 174.62 177.27 1lxf h PRO 54 N 2.06 0.00 0.00 3.99 0.13 -1.97 -1.13 132.00 135.08 1lxf h PRO 54 Ca -0.38 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.57 1lxf h PRO 54 Cb 1.26 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 -1.19 1.05 -0.23 0.00 0.00 178.00 178.25 1lxf h GLU 55 N 0.00 0.00 0.00 0.86 4.11 -1.97 -3.29 114.58 114.29 1lxf h GLU 55 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1lxf h GLU 55 Cb 0.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1lxf h GLU 55 CO 0.00 0.48 -0.89 0.93 0.07 0.00 0.00 179.01 179.60 1lxf h GLU 56 N 0.00 0.00 -0.94 1.06 4.39 -1.97 -3.38 114.58 113.74 1lxf h GLU 56 Ca -0.12 0.00 0.26 0.00 0.34 0.00 0.00 59.36 59.84 1lxf h GLU 56 Cb 1.64 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 30.12 1lxf h GLU 56 CO 0.07 0.53 0.10 -0.07 -1.16 0.00 0.00 179.01 178.49 1lxf h LEU 57 N -1.00 -0.31 -0.98 1.33 3.38 -1.39 0.34 115.31 116.68 1lxf h LEU 57 Ca -0.18 0.25 0.17 0.00 0.09 0.00 0.00 57.88 58.21 1lxf h LEU 57 Cb 0.92 0.41 -0.17 0.00 0.09 0.00 0.00 40.66 41.91 1lxf h LEU 57 CO -0.11 -0.30 -0.32 1.67 0.09 0.00 0.00 178.44 179.47 1lxf n GLN 58 N -5.40 -0.16 -0.22 1.13 -0.06 -1.24 1.00 117.38 112.42 1lxf n GLN 58 Ca 0.23 1.52 -0.01 0.00 -2.00 0.00 0.00 57.00 56.74 1lxf n GLN 58 Cb 0.75 -2.26 0.06 0.00 -4.06 0.00 0.00 30.24 24.72 1lxf n GLN 58 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1lxf h GLU 59 N 0.00 -0.04 0.00 3.69 5.08 -0.51 2.03 114.58 124.84 1lxf h GLU 59 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1lxf h GLU 59 Cb 0.65 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1lxf h GLU 59 CO -0.99 -0.02 0.06 0.52 -1.00 0.00 0.00 179.01 177.57 1lxf h MET 60 N -0.04 0.00 0.01 2.33 2.86 0.60 -1.82 114.93 118.88 1lxf h MET 60 Ca 0.31 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.84 1lxf h MET 60 Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1lxf h MET 60 CO -0.69 0.00 -0.53 0.82 1.06 0.00 0.00 176.91 177.57 1lxf h ILE 61 N 0.00 1.45 -1.69 -1.22 1.08 0.39 -3.32 117.51 114.20 1lxf h ILE 61 Ca 0.00 -2.30 0.53 0.00 -0.39 0.00 0.00 64.86 62.69 1lxf h ILE 61 Cb 0.11 2.96 -0.11 0.00 -3.07 0.00 0.00 36.82 36.71 1lxf h ILE 61 CO 0.00 0.52 1.17 0.44 -0.69 0.00 0.00 178.15 179.59 1lxf h ASP 62 N -0.93 0.10 0.29 1.72 3.32 0.01 2.35 116.42 123.27 1lxf h ASP 62 Ca -0.14 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1lxf h ASP 62 Cb 1.17 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1lxf h ASP 62 CO -0.06 -0.13 -0.14 -0.33 -1.72 0.00 0.00 179.24 176.87 1lxf h GLU 63 N 0.00 -0.37 0.00 3.56 5.08 -1.64 -2.95 114.58 118.26 1lxf h GLU 63 Ca 0.91 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 59.30 1lxf h GLU 63 Cb 3.33 0.08 0.00 0.00 0.50 0.00 0.00 28.75 32.67 1lxf h GLU 63 CO -0.23 -0.23 -0.66 -0.39 -1.00 0.00 0.00 179.01 176.49 1lxf h VAL 64 N -0.41 0.00 -0.90 3.13 -1.51 0.86 -3.37 116.25 114.05 1lxf h VAL 64 Ca -0.04 -0.59 -0.52 0.00 -1.23 0.00 0.00 66.70 64.32 1lxf h VAL 64 Cb 0.31 1.17 -0.14 0.00 -2.13 0.00 0.00 31.29 30.50 1lxf h VAL 64 CO 0.06 0.00 0.91 0.47 -1.23 0.00 0.00 177.57 177.78 1lxf n ASP 65 N -2.23 6.78 0.00 4.19 9.92 0.71 -4.54 116.55 131.37 1lxf n ASP 65 Ca 0.03 -3.07 0.08 0.00 -0.53 0.00 0.00 54.79 51.30 1lxf n ASP 65 Cb 0.46 -1.30 0.39 0.00 -0.64 0.00 0.00 41.12 40.03 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 1.40 0.14 -0.00 -1.24 1.02 -1.25 -2.11 120.64 118.61 1lxf n GLU 66 Ca 0.53 0.16 0.05 0.00 -0.02 0.00 0.00 57.16 57.88 1lxf n GLU 66 Cb 0.51 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.36 1lxf n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1lxf n ASP 67 N -1.38 1.66 0.00 1.62 5.68 -1.26 -4.99 116.55 117.89 1lxf n ASP 67 Ca 0.06 -0.32 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 1lxf n ASP 67 Cb 0.16 1.29 0.00 0.00 -1.14 0.00 0.00 41.12 41.42 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 1.61 0.68 0.34 6.12 0.00 -0.89 -4.91 105.19 108.14 1lxf n GLY 68 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.54 0.00 1.61 4.64 -1.94 -3.44 113.55 113.88 1lxf h SER 69 Ca 0.00 0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1lxf h SER 69 Cb 0.00 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1lxf h SER 69 CO 0.00 -0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.22 1lxf n GLY 70 N -1.51 0.85 3.21 -0.77 0.00 -1.26 -5.09 105.19 100.62 1lxf n GLY 70 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 0.21 -0.84 2.61 -4.23 -1.26 -4.50 115.64 105.64 1lxf s THR 71 Ca 0.00 -1.97 -0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1lxf s THR 71 Cb 0.00 -2.32 0.21 0.00 1.34 0.00 0.00 72.50 71.73 1lxf s THR 71 CO 0.00 -0.22 0.70 -0.69 -0.54 0.00 0.00 174.62 173.87 1lxf s VAL 72 N -3.99 4.01 0.73 2.29 1.01 -1.18 -4.79 120.40 118.47 1lxf s VAL 72 Ca 0.32 -3.90 -0.09 0.00 0.00 0.00 0.00 61.98 58.31 1lxf s VAL 72 Cb 0.07 -3.52 0.13 0.00 0.00 0.00 0.00 36.38 33.07 1lxf s VAL 72 CO 0.08 -1.06 0.30 -0.90 0.00 0.00 0.00 175.10 173.52 1lxf n ASP 73 N 2.33 -2.51 0.00 3.32 5.75 -1.26 0.06 116.55 124.23 1lxf n ASP 73 Ca 0.20 -0.31 0.08 0.00 -0.01 0.00 0.00 54.79 54.76 1lxf n ASP 73 Cb 0.37 -0.56 0.47 0.00 -1.03 0.00 0.00 41.12 40.37 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 -3.87 0.00 -0.02 2.11 7.35 -0.77 -3.04 117.46 119.22 1lxf n PHE 74 Ca 0.05 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.80 1lxf n PHE 74 Cb 0.21 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.89 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 -0.76 0.59 -0.10 -2.13 8.00 -1.26 -4.58 116.55 116.30 1lxf n ASP 75 Ca 0.12 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.38 1lxf n ASP 75 Cb 0.05 1.71 -0.11 0.00 -0.02 0.00 0.00 41.12 42.75 1lxf n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1lxf n GLU 76 N -2.26 0.60 0.00 -1.24 1.02 -1.17 -4.34 120.64 113.25 1lxf n GLU 76 Ca -0.08 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1lxf n GLU 76 Cb 0.61 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1lxf n GLU 76 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1lxf n PHE 77 N -4.21 0.00 0.00 -0.32 7.35 -1.19 -0.02 117.46 119.07 1lxf n PHE 77 Ca -0.39 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.30 1lxf n PHE 77 Cb 0.80 -0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.51 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 -1.46 0.00 -0.46 -2.13 4.77 -1.26 0.24 117.00 116.70 1lxf n LEU 78 Ca 0.00 0.63 0.38 0.00 -0.03 0.00 0.00 56.01 56.98 1lxf n LEU 78 Cb 0.00 -0.27 0.67 0.00 -2.33 0.00 0.00 43.42 41.49 1lxf n LEU 78 CO 0.00 -0.27 1.28 0.58 -1.33 0.00 0.00 177.39 177.65 1lxf h VAL 79 N 0.00 0.17 -0.09 4.08 2.07 -1.67 1.00 116.25 121.80 1lxf h VAL 79 Ca 0.00 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1lxf h VAL 79 Cb 0.00 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1lxf h VAL 79 CO 0.00 0.02 -0.13 -0.03 0.02 0.00 0.00 177.57 177.45 1lxf h MET 80 N 0.10 0.25 -0.77 1.57 -1.53 0.69 1.37 114.93 116.61 1lxf h MET 80 Ca 0.79 -0.15 0.13 0.00 -3.44 0.00 0.00 59.70 57.04 1lxf h MET 80 Cb 2.62 0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 33.63 1lxf h MET 80 CO -0.31 0.71 0.51 0.52 0.14 0.00 0.00 176.91 178.48 1lxf h MET 81 N -0.19 0.52 0.04 0.39 2.07 0.60 0.28 114.93 118.64 1lxf h MET 81 Ca 0.01 -0.03 -0.31 0.00 -2.07 0.00 0.00 59.70 57.30 1lxf h MET 81 Cb 0.68 -0.12 -0.04 0.00 -1.87 0.00 0.00 31.60 30.26 1lxf h MET 81 CO 0.03 0.34 -1.74 -0.24 1.07 0.00 0.00 176.91 176.38 1lxf h VAL 82 N 0.53 0.85 0.00 -2.22 3.04 -0.96 -3.33 116.25 114.17 1lxf h VAL 82 Ca 0.37 -2.65 0.00 0.00 -1.01 0.00 0.00 66.70 63.42 1lxf h VAL 82 Cb 0.70 2.49 0.00 0.00 -2.01 0.00 0.00 31.29 32.47 1lxf h VAL 82 CO -0.14 0.64 0.00 -1.14 -1.01 0.00 0.00 177.57 175.92 1lxf n ARG 83 N -3.20 0.09 0.09 4.17 0.63 0.47 -2.32 116.66 116.58 1lxf n ARG 83 Ca -0.20 0.19 -0.13 0.00 -0.92 0.00 0.00 57.85 56.79 1lxf n ARG 83 Cb 1.05 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 32.33 1lxf n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1lxf h MET 85 N 0.06 0.26 0.00 0.00 2.86 -1.68 0.55 114.93 116.97 1lxf h MET 85 Ca -0.09 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1lxf h MET 85 Cb 1.88 0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.70 1lxf h MET 85 CO 0.18 1.11 -0.05 0.87 1.06 0.00 0.00 176.91 180.08 1lxf h LYS 86 N 0.07 0.00 -0.16 1.72 6.56 -1.57 -3.38 116.57 119.81 1lxf h LYS 86 Ca -0.32 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.02 1lxf h LYS 86 Cb 2.04 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 33.52 1lxf h LYS 86 CO 0.14 0.00 -0.48 -0.25 -2.06 0.00 0.00 179.45 176.80 1lxf n ASP 87 N -3.01 -1.67 -4.50 0.86 9.92 -0.09 -5.06 116.55 113.00 1lxf n ASP 87 Ca 0.04 -2.88 -0.39 0.00 -0.53 0.00 0.00 54.79 51.03 1lxf n ASP 87 Cb 0.52 1.11 -0.15 0.00 -0.64 0.00 0.00 41.12 41.97 1lxf n ASP 87 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1lxf n ASP 88 N -0.23 0.33 0.00 -2.24 5.75 0.19 -4.56 116.55 115.79 1lxf n ASP 88 Ca 0.02 0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1lxf n ASP 88 Cb 0.79 -0.95 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1lxf n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85