#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ls8 h GLN 2 N 0.00 0.10 0.00 -1.46 7.50 -2.00 0.16 115.11 119.42 1ls8 h GLN 2 Ca 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1ls8 h GLN 2 Cb 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.51 1ls8 h GLN 2 CO 0.00 0.07 -0.10 1.49 -1.50 0.00 0.00 178.83 178.78 1ls8 h GLU 3 N 0.10 0.00 -1.06 1.46 4.57 -2.00 -3.33 114.58 114.33 1ls8 h GLU 3 Ca 0.26 0.00 0.29 0.00 -1.18 0.00 0.00 59.36 58.73 1ls8 h GLU 3 Cb 0.88 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.36 1ls8 h GLU 3 CO -0.03 0.00 0.66 0.28 -1.18 0.00 0.00 179.01 178.74 1ls8 h VAL 4 N -0.89 0.44 0.63 0.32 2.07 -1.78 0.19 116.25 117.22 1ls8 h VAL 4 Ca 0.00 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1ls8 h VAL 4 Cb 0.10 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1ls8 h VAL 4 CO 0.00 0.07 -0.30 0.24 0.02 0.00 0.00 177.57 177.60 1ls8 h MET 5 N 0.39 -0.81 -0.56 1.57 2.86 -0.88 0.42 114.93 117.92 1ls8 h MET 5 Ca 0.66 0.06 0.07 0.00 -2.06 0.00 0.00 59.70 58.42 1ls8 h MET 5 Cb 1.60 0.18 -0.06 0.00 0.06 0.00 0.00 31.60 33.39 1ls8 h MET 5 CO -0.40 -0.52 0.25 -0.22 1.06 0.00 0.00 176.91 177.09 1ls8 h LYS 6 N -0.92 0.46 0.00 1.72 3.64 -1.29 -3.05 116.57 117.14 1ls8 h LYS 6 Ca -0.09 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1ls8 h LYS 6 Cb 0.67 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1ls8 h LYS 6 CO 0.14 0.31 -0.15 -0.97 -2.27 0.00 0.00 179.45 176.50 1ls8 h ASN 7 N 0.48 0.00 0.00 4.20 -1.24 -0.41 -3.21 115.58 115.39 1ls8 h ASN 7 Ca 0.27 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.28 1ls8 h ASN 7 Cb 0.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.29 1ls8 h ASN 7 CO -0.22 0.15 0.00 0.18 -1.29 0.00 0.00 177.43 176.25 1ls8 n LEU 8 N -3.75 0.00 0.00 0.34 4.77 0.11 -4.79 117.00 113.69 1ls8 n LEU 8 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1ls8 n LEU 8 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1ls8 n LEU 8 CO 0.32 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.14 1ls8 n SER 9 N 0.00 0.00 0.00 -1.43 2.88 -1.21 -4.85 113.62 109.00 1ls8 n SER 9 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ls8 n SER 9 Cb 0.00 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 61.91 1ls8 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ls8 n LEU 10 N 0.00 0.00 0.00 2.46 -0.00 -1.26 -3.45 117.00 114.75 1ls8 n LEU 10 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.08 1ls8 n LEU 10 Cb 0.00 0.00 0.40 0.00 -0.00 0.00 0.00 43.42 43.82 1ls8 n LEU 10 CO 0.00 0.00 0.61 0.59 -0.00 0.00 0.00 177.39 178.59 1ls8 n ASN 11 N 0.00 0.00 -0.16 1.45 3.02 -1.26 -0.72 115.26 117.59 1ls8 n ASN 11 Ca 0.00 -0.67 -0.02 0.00 -0.03 0.00 0.00 54.58 53.86 1ls8 n ASN 11 Cb 0.00 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 1ls8 n ASN 11 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1ls8 h PHE 12 N 0.00 -0.02 0.00 3.10 3.04 -1.94 -3.40 116.94 117.72 1ls8 h PHE 12 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1ls8 h PHE 12 Cb 0.00 0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.59 1ls8 h PHE 12 CO 0.00 -0.11 0.00 0.41 -2.02 0.00 0.00 178.31 176.59 1ls8 n GLY 13 N -1.31 0.96 0.27 2.40 0.00 0.07 -4.81 105.19 102.78 1ls8 n GLY 13 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1ls8 n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ls8 h LYS 14 N 0.00 0.00 -0.60 1.61 3.64 -1.13 -0.23 116.57 119.86 1ls8 h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ls8 h LYS 14 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ls8 h LYS 14 CO 0.00 0.08 0.00 0.00 -2.27 0.00 0.00 179.45 177.26 1ls8 n ALA 15 N -2.31 2.90 -0.28 5.00 0.00 -1.26 -4.55 120.51 120.01 1ls8 n ALA 15 Ca -0.02 -1.05 0.06 0.00 0.00 0.00 0.00 53.44 52.43 1ls8 n ALA 15 Cb 0.18 -1.02 0.21 0.00 0.00 0.00 0.00 19.45 18.82 1ls8 n ALA 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ls8 h LEU 16 N 2.74 0.46 -1.73 0.00 5.85 -1.37 -1.21 115.31 120.05 1ls8 h LEU 16 Ca 0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ls8 h LEU 16 Cb 1.05 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1ls8 h LEU 16 CO 0.16 0.20 -0.08 0.44 -0.34 0.00 0.00 178.44 178.82 1ls8 h ASP 17 N 0.58 0.06 0.04 1.25 3.32 -1.83 0.41 116.42 120.25 1ls8 h ASP 17 Ca 0.44 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.48 1ls8 h ASP 17 Cb 0.61 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1ls8 h ASP 17 CO -0.36 0.16 -0.02 -0.33 -1.72 0.00 0.00 179.24 176.96 1ls8 h GLU 18 N 0.07 -0.05 -0.33 3.56 5.08 -1.57 -0.86 114.58 120.47 1ls8 h GLU 18 Ca 0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1ls8 h GLU 18 Cb 0.19 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1ls8 h GLU 18 CO 0.01 0.20 0.03 0.00 -1.00 0.00 0.00 179.01 178.25 1ls8 h LYS 20 N 0.49 0.40 -0.67 0.00 1.57 -0.11 -1.10 116.57 117.14 1ls8 h LYS 20 Ca 0.11 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1ls8 h LYS 20 Cb 0.28 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1ls8 h LYS 20 CO 0.01 0.61 0.10 -0.22 -0.57 0.00 0.00 179.45 179.38 1ls8 h LYS 21 N 0.15 1.12 -0.27 3.15 3.11 -0.89 0.36 116.57 123.30 1ls8 h LYS 21 Ca 0.06 -0.31 -0.08 0.00 -2.81 0.00 0.00 60.65 57.51 1ls8 h LYS 21 Cb 0.45 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.53 1ls8 h LYS 21 CO 0.02 1.03 -0.17 0.93 -2.81 0.00 0.00 179.45 178.45 1ls8 h GLU 22 N 1.05 0.48 0.00 1.90 4.39 -0.56 -3.28 114.58 118.56 1ls8 h GLU 22 Ca 0.20 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ls8 h GLU 22 Cb 0.46 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1ls8 h GLU 22 CO 0.02 0.64 -0.00 -1.33 -1.16 0.00 0.00 179.01 177.18 1ls8 n MET 23 N -4.17 2.69 -4.03 2.33 2.81 -0.44 -5.00 117.12 111.31 1ls8 n MET 23 Ca 0.00 -1.68 -0.31 0.00 -1.81 0.00 0.00 57.70 53.90 1ls8 n MET 23 Cb 0.35 -1.08 -0.03 0.00 -0.71 0.00 0.00 33.22 31.75 1ls8 n MET 23 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1ls8 n THR 24 N -0.66 -2.88 -2.12 2.03 -1.04 -0.02 -4.99 114.28 104.61 1ls8 n THR 24 Ca 0.03 -0.58 -0.28 0.00 -2.04 0.00 0.00 64.05 61.18 1ls8 n THR 24 Cb 0.32 -2.41 0.16 0.00 -1.82 0.00 0.00 70.33 66.57 1ls8 n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1ls8 s LEU 25 N -7.08 2.78 0.00 -4.42 1.43 -0.41 -5.03 118.68 105.95 1ls8 s LEU 25 Ca 0.14 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1ls8 s LEU 25 Cb -0.06 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1ls8 s LEU 25 CO 0.93 -2.42 0.02 0.35 0.23 0.00 0.00 176.35 175.45 1ls8 n THR 26 N -3.46 0.00 1.36 5.49 -2.24 -1.26 -4.84 114.28 109.32 1ls8 n THR 26 Ca 0.15 -0.15 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1ls8 n THR 26 Cb 0.60 -0.28 0.44 0.00 -2.10 0.00 0.00 70.33 68.98 1ls8 n THR 26 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ls8 n ASP 27 N -1.63 1.48 0.24 3.42 2.03 -1.26 -4.01 116.55 116.82 1ls8 n ASP 27 Ca -0.01 -1.62 0.13 0.00 0.52 0.00 0.00 54.79 53.82 1ls8 n ASP 27 Cb 0.04 -0.07 0.52 0.00 -0.72 0.00 0.00 41.12 40.89 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ls8 h ALA 28 N 4.10 1.01 -0.12 -1.67 0.00 -2.01 -0.96 119.26 119.60 1ls8 h ALA 28 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1ls8 h ALA 28 Cb 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ls8 h ALA 28 CO 0.00 0.15 -0.26 -0.84 0.00 0.00 0.00 179.25 178.30 1ls8 h ILE 29 N 0.00 1.24 0.00 0.00 3.07 -1.95 -2.39 117.51 117.47 1ls8 h ILE 29 Ca -0.00 -1.12 0.00 0.00 1.55 0.00 0.00 64.86 65.29 1ls8 h ILE 29 Cb 0.68 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 1ls8 h ILE 29 CO 0.02 0.34 0.00 -1.13 -1.05 0.00 0.00 178.15 176.32 1ls8 h ASN 30 N 0.20 0.00 0.00 2.16 -1.24 -1.43 -0.24 115.58 115.04 1ls8 h ASN 30 Ca 0.03 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.98 1ls8 h ASN 30 Cb 0.57 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 1ls8 h ASN 30 CO 0.04 0.00 -0.32 1.05 -1.29 0.00 0.00 177.43 176.91 1ls8 h GLU 31 N 0.00 0.00 -0.38 6.67 4.11 -1.55 -3.41 114.58 120.03 1ls8 h GLU 31 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.49 1ls8 h GLU 31 Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1ls8 h GLU 31 CO 0.00 0.98 0.26 -0.44 0.07 0.00 0.00 179.01 179.88 1ls8 h ASP 32 N -1.00 0.22 0.00 3.06 5.19 -0.76 -2.22 116.42 120.91 1ls8 h ASP 32 Ca -0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1ls8 h ASP 32 Cb 1.06 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.52 1ls8 h ASP 32 CO -0.05 0.15 0.02 0.49 -3.12 0.00 0.00 179.24 176.72 1ls8 n PHE 33 N -4.48 0.00 0.02 4.55 3.72 -0.19 -1.34 117.46 119.75 1ls8 n PHE 33 Ca 0.05 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.51 1ls8 n PHE 33 Cb 0.26 -0.33 -0.10 0.00 -0.94 0.00 0.00 39.48 38.37 1ls8 n PHE 33 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1ls8 n TYR 34 N -1.32 0.47 -2.59 1.38 9.36 -0.84 -3.79 117.16 119.84 1ls8 n TYR 34 Ca 0.00 0.15 -0.43 0.00 3.32 0.00 0.00 57.90 60.93 1ls8 n TYR 34 Cb 0.02 -0.80 0.00 0.00 -0.63 0.00 0.00 39.34 37.93 1ls8 n TYR 34 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1ls8 n ASN 35 N -2.55 5.04 0.00 2.98 4.13 -0.45 -4.54 115.26 119.87 1ls8 n ASN 35 Ca -0.07 -3.01 0.00 0.00 1.68 0.00 0.00 54.58 53.18 1ls8 n ASN 35 Cb 0.68 -1.56 0.00 0.00 -1.54 0.00 0.00 39.78 37.35 1ls8 n ASN 35 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1ls8 n PHE 36 N 5.33 0.00 0.11 3.10 3.72 -1.26 -4.85 117.46 123.61 1ls8 n PHE 36 Ca 0.40 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.76 1ls8 n PHE 36 Cb 0.40 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.92 1ls8 n PHE 36 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 1ls8 h TRP 37 N 0.00 -0.25 -3.50 1.38 7.01 -1.84 -3.44 115.95 115.31 1ls8 h TRP 37 Ca 0.00 -0.01 -0.57 0.00 2.11 0.00 0.00 58.89 60.43 1ls8 h TRP 37 Cb 0.00 0.08 0.14 0.00 -2.10 0.00 0.00 29.16 27.28 1ls8 h TRP 37 CO 0.00 -0.16 0.36 0.36 -2.79 0.00 0.00 178.44 176.22 1ls8 n LYS 38 N -2.83 1.57 0.00 2.65 0.00 -1.26 -4.94 118.16 113.35 1ls8 n LYS 38 Ca -0.03 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 1ls8 n LYS 38 Cb 0.11 -2.29 0.00 0.00 -0.00 0.00 0.00 35.03 32.85 1ls8 n LYS 38 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1ls8 n GLU 39 N -0.28 0.73 0.11 -1.58 0.28 -1.26 -4.65 120.64 113.99 1ls8 n GLU 39 Ca 0.09 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.21 1ls8 n GLU 39 Cb 0.42 -0.98 0.20 0.00 1.43 0.00 0.00 31.44 32.51 1ls8 n GLU 39 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1ls8 h GLY 40 N 0.00 0.00 -7.15 -1.84 0.00 -2.00 -3.39 103.07 88.69 1ls8 h GLY 40 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1ls8 h GLY 40 CO 0.00 0.00 0.42 -0.47 0.00 0.00 0.00 176.54 176.49 1ls8 s TYR 41 N -3.19 2.84 0.29 5.60 6.14 -1.26 -5.04 117.35 122.73 1ls8 s TYR 41 Ca 0.06 -0.24 -0.28 0.00 0.64 0.00 0.00 57.07 57.25 1ls8 s TYR 41 Cb 0.11 -3.97 -0.09 0.00 0.42 0.00 0.00 41.96 38.43 1ls8 s TYR 41 CO 0.69 -1.31 0.97 -2.00 0.64 0.00 0.00 175.55 174.54 1ls8 s GLU 42 N 3.61 4.68 0.41 4.97 2.12 -1.26 -4.90 118.70 128.32 1ls8 s GLU 42 Ca 0.25 1.48 -0.26 0.00 0.36 0.00 0.00 54.97 56.80 1ls8 s GLU 42 Cb -0.15 -3.04 -0.09 0.00 0.26 0.00 0.00 34.13 31.11 1ls8 s GLU 42 CO 0.16 0.34 1.35 0.42 -0.54 0.00 0.00 175.26 176.99 1ls8 s ILE 43 N -1.37 2.45 -0.06 -3.70 1.01 -1.26 -4.95 121.20 113.32 1ls8 s ILE 43 Ca 0.46 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1ls8 s ILE 43 Cb -0.24 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1ls8 s ILE 43 CO 0.30 0.07 -0.06 2.29 0.00 0.00 0.00 174.94 177.54 1ls8 n LYS 44 N 0.12 0.15 -1.09 2.79 2.85 -1.26 -4.98 118.16 116.74 1ls8 n LYS 44 Ca 0.04 0.04 -0.33 0.00 -1.05 0.00 0.00 58.31 57.00 1ls8 n LYS 44 Cb 0.43 -1.09 0.13 0.00 -0.65 0.00 0.00 35.03 33.84 1ls8 n LYS 44 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1ls8 s ASN 45 N -4.67 3.55 0.00 -5.58 0.01 -1.26 -4.96 114.94 102.04 1ls8 s ASN 45 Ca -0.08 2.36 0.00 0.00 -0.71 0.00 0.00 52.86 54.43 1ls8 s ASN 45 Cb 0.02 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1ls8 s ASN 45 CO 0.14 -2.69 0.17 -2.11 -1.51 0.00 0.00 177.10 171.10 1ls8 n ARG 46 N -3.35 3.78 0.21 -0.60 1.85 -1.26 -4.73 116.66 112.56 1ls8 n ARG 46 Ca 0.13 -0.17 0.13 0.00 -1.00 0.00 0.00 57.85 56.94 1ls8 n ARG 46 Cb 0.51 -0.65 0.74 0.00 -1.05 0.00 0.00 32.46 32.00 1ls8 n ARG 46 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1ls8 h GLU 47 N 0.00 0.00 0.59 2.89 3.07 -1.96 -1.43 114.58 117.75 1ls8 h GLU 47 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1ls8 h GLU 47 Cb 0.01 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1ls8 h GLU 47 CO 0.00 0.00 -0.29 1.15 -1.40 0.00 0.00 179.01 178.47 1ls8 h THR 48 N 0.00 0.00 0.00 1.13 2.02 -1.92 0.36 112.91 114.50 1ls8 h THR 48 Ca 0.06 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 1ls8 h THR 48 Cb 0.26 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1ls8 h THR 48 CO -0.00 0.00 -0.16 1.23 0.37 0.00 0.00 175.52 176.96 1ls8 h GLY 49 N -0.83 0.00 0.86 2.16 0.00 -1.90 -2.36 103.07 101.00 1ls8 h GLY 49 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.29 1ls8 h GLY 49 CO 0.13 0.00 0.57 0.00 0.00 0.00 0.00 176.54 177.24 1ls8 h ALA 51 N 1.37 0.84 -0.83 0.00 0.00 -0.40 -2.50 119.26 117.74 1ls8 h ALA 51 Ca 0.36 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.33 1ls8 h ALA 51 Cb 0.02 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.56 1ls8 h ALA 51 CO -0.12 0.14 0.49 0.82 0.00 0.00 0.00 179.25 180.58 1ls8 h ILE 52 N 0.77 0.98 -0.57 0.00 2.04 -0.81 0.89 117.51 120.80 1ls8 h ILE 52 Ca 0.26 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.89 1ls8 h ILE 52 Cb 0.04 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.09 1ls8 h ILE 52 CO -0.11 0.16 0.26 -0.03 0.00 0.00 0.00 178.15 178.43 1ls8 h MET 53 N 0.87 0.48 -0.07 2.37 4.05 -0.94 0.79 114.93 122.48 1ls8 h MET 53 Ca 0.38 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.77 1ls8 h MET 53 Cb 0.26 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1ls8 h MET 53 CO -0.21 0.31 0.04 0.00 0.23 0.00 0.00 176.91 177.29 1ls8 h LEU 55 N 0.01 -0.19 -0.62 0.00 3.38 -0.10 0.12 115.31 117.90 1ls8 h LEU 55 Ca 0.03 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1ls8 h LEU 55 Cb 0.11 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ls8 h LEU 55 CO -0.00 -0.07 -0.03 0.28 0.09 0.00 0.00 178.44 178.70 1ls8 h SER 56 N -0.02 1.04 -0.04 -0.43 0.02 -0.88 -1.56 113.55 111.68 1ls8 h SER 56 Ca 0.08 -0.31 0.04 0.00 -0.84 0.00 0.00 61.79 60.76 1ls8 h SER 56 Cb 0.15 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.36 1ls8 h SER 56 CO -0.18 1.11 -0.26 0.74 -1.14 0.00 0.00 176.83 177.10 1ls8 h THR 57 N 0.96 0.40 0.00 -2.27 2.02 -0.66 -0.02 112.91 113.34 1ls8 h THR 57 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1ls8 h THR 57 Cb 0.59 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1ls8 h THR 57 CO 0.04 0.00 0.00 0.11 0.37 0.00 0.00 175.52 176.04 1ls8 h LYS 58 N -0.38 0.00 -0.00 6.66 1.79 -0.33 0.11 116.57 124.41 1ls8 h LYS 58 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1ls8 h LYS 58 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1ls8 h LYS 58 CO -0.25 0.00 -0.24 1.28 -1.08 0.00 0.00 179.45 179.15 1ls8 n LEU 59 N -2.56 0.61 0.00 2.94 4.77 -0.63 -4.97 117.00 117.17 1ls8 n LEU 59 Ca 0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1ls8 n LEU 59 Cb 0.24 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1ls8 n LEU 59 CO 0.22 0.12 0.00 0.59 -1.33 0.00 0.00 177.39 176.99 1ls8 n ASN 60 N -1.05 -1.41 0.03 -1.43 3.02 0.38 -4.95 115.26 109.85 1ls8 n ASN 60 Ca 0.11 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.76 1ls8 n ASN 60 Cb 0.32 -0.92 0.54 0.00 -0.61 0.00 0.00 39.78 39.11 1ls8 n ASN 60 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1ls8 h MET 61 N 1.64 0.28 -4.87 3.52 4.05 -1.20 -3.40 114.93 114.95 1ls8 h MET 61 Ca 0.00 -0.02 -0.67 0.00 -0.28 0.00 0.00 59.70 58.73 1ls8 h MET 61 Cb 0.10 -0.06 -0.33 0.00 -0.80 0.00 0.00 31.60 30.51 1ls8 h MET 61 CO 0.00 0.19 -0.75 -0.51 0.23 0.00 0.00 176.91 176.07 1ls8 s LEU 62 N -9.23 3.36 0.96 3.39 1.43 -1.25 -2.17 118.68 115.17 1ls8 s LEU 62 Ca -0.07 -1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 51.90 1ls8 s LEU 62 Cb 0.18 -1.66 0.17 0.00 0.03 0.00 0.00 46.19 44.92 1ls8 s LEU 62 CO 0.72 -0.16 1.13 -1.81 0.23 0.00 0.00 176.35 176.46 1ls8 s ASP 63 N 1.28 2.58 -0.06 2.29 1.01 -1.24 -4.75 116.67 117.77 1ls8 s ASP 63 Ca -0.02 2.08 -0.02 0.00 0.71 0.00 0.00 52.55 55.30 1ls8 s ASP 63 Cb -0.18 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.16 1ls8 s ASP 63 CO -0.04 -3.30 2.61 -0.81 0.21 0.00 0.00 175.17 173.84 1ls8 n PRO 64 N -4.36 1.52 -0.01 8.23 -0.04 -1.26 -2.28 135.00 136.80 1ls8 n PRO 64 Ca 0.10 -0.66 -0.01 0.00 -0.04 0.00 0.00 63.50 62.90 1ls8 n PRO 64 Cb 0.52 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 1ls8 n PRO 64 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ls8 n GLU 65 N 1.68 2.37 -1.82 0.54 1.02 -1.26 -5.04 120.64 118.12 1ls8 n GLU 65 Ca 0.21 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.34 1ls8 n GLU 65 Cb 0.65 -1.05 0.01 0.00 -0.02 0.00 0.00 31.44 31.04 1ls8 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ls8 n GLY 66 N 3.07 0.11 3.31 0.62 0.00 -0.97 -5.13 105.19 106.21 1ls8 n GLY 66 Ca -0.03 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 1ls8 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ls8 s ASN 67 N -2.72 1.93 -0.34 1.61 2.20 -1.26 -5.07 114.94 111.29 1ls8 s ASN 67 Ca 0.05 -1.14 -0.16 0.00 -0.94 0.00 0.00 52.86 50.67 1ls8 s ASN 67 Cb -0.01 -0.02 -0.01 0.00 -2.00 0.00 0.00 41.25 39.22 1ls8 s ASN 67 CO 0.14 -0.43 0.43 -0.22 -2.94 0.00 0.00 177.10 174.09 1ls8 s LEU 68 N -3.27 4.39 -0.02 3.54 1.98 -1.26 -3.63 118.68 120.40 1ls8 s LEU 68 Ca 0.25 -0.13 -0.30 0.00 -2.89 0.00 0.00 54.13 51.05 1ls8 s LEU 68 Cb 0.04 -2.45 -0.04 0.00 0.66 0.00 0.00 46.19 44.40 1ls8 s LEU 68 CO 0.06 -0.40 1.22 -2.28 -1.89 0.00 0.00 176.35 173.07 1ls8 s HIS 69 N 2.18 3.20 0.13 5.38 5.65 -0.92 -4.93 115.29 125.98 1ls8 s HIS 69 Ca 0.15 1.19 -0.29 0.00 0.25 0.00 0.00 55.06 56.35 1ls8 s HIS 69 Cb -0.16 -3.45 -0.06 0.00 -1.18 0.00 0.00 32.58 27.73 1ls8 s HIS 69 CO 0.12 -1.44 1.59 0.45 -0.65 0.00 0.00 174.74 174.81 1ls8 h HIS 70 N 7.36 -1.15 -0.15 3.88 -0.00 -1.96 -1.00 115.15 122.14 1ls8 h HIS 70 Ca -0.36 0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 59.94 1ls8 h HIS 70 Cb 1.17 0.51 0.00 0.00 -0.00 0.00 0.00 27.41 29.10 1ls8 h HIS 70 CO 0.72 -0.48 -0.33 0.78 -0.00 0.00 0.00 177.93 178.62 1ls8 h GLY 71 N -0.52 0.53 2.00 2.45 0.00 -1.97 -2.12 103.07 103.44 1ls8 h GLY 71 Ca 0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1ls8 h GLY 71 CO -0.35 0.58 -0.08 3.43 0.00 0.00 0.00 176.54 180.12 1ls8 h ASN 72 N 0.10 0.00 0.00 0.19 4.21 -1.82 0.79 115.58 119.05 1ls8 h ASN 72 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.51 1ls8 h ASN 72 Cb 0.93 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.13 1ls8 h ASN 72 CO 0.07 0.08 -0.03 0.00 -1.29 0.00 0.00 177.43 176.27 1ls8 h ALA 73 N 1.92 0.01 -0.67 -0.83 0.00 -1.26 -3.39 119.26 115.04 1ls8 h ALA 73 Ca -0.00 -0.43 0.14 0.00 0.00 0.00 0.00 54.91 54.62 1ls8 h ALA 73 Cb 0.51 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.20 1ls8 h ALA 73 CO 0.01 0.02 -0.07 1.98 0.00 0.00 0.00 179.25 181.19 1ls8 h MET 74 N -1.00 0.06 -0.18 0.00 1.85 -0.55 -2.56 114.93 112.55 1ls8 h MET 74 Ca -0.01 -0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.05 1ls8 h MET 74 Cb 0.83 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.84 1ls8 h MET 74 CO -0.00 0.04 -0.02 0.93 -0.40 0.00 0.00 176.91 177.45 1ls8 h GLU 75 N 0.06 0.26 -0.13 0.39 5.08 -1.10 0.21 114.58 119.34 1ls8 h GLU 75 Ca 0.34 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.52 1ls8 h GLU 75 Cb 0.55 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ls8 h GLU 75 CO -0.63 0.30 -0.45 0.35 -1.00 0.00 0.00 179.01 177.58 1ls8 h PHE 76 N 0.25 0.70 -0.23 4.33 3.04 -1.67 -3.17 116.94 120.20 1ls8 h PHE 76 Ca 0.06 -0.29 -0.13 0.00 3.98 0.00 0.00 57.97 61.59 1ls8 h PHE 76 Cb 0.21 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1ls8 h PHE 76 CO 0.00 1.05 -0.42 0.00 -2.02 0.00 0.00 178.31 176.93 1ls8 h ALA 77 N 0.51 0.85 0.00 2.41 0.00 -1.03 -2.64 119.26 119.37 1ls8 h ALA 77 Ca -0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1ls8 h ALA 77 Cb 1.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ls8 h ALA 77 CO 0.10 0.65 -0.03 1.57 0.00 0.00 0.00 179.25 181.53 1ls8 h LYS 78 N 0.45 0.00 -0.62 0.00 5.09 -0.72 -2.15 116.57 118.62 1ls8 h LYS 78 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.76 1ls8 h LYS 78 Cb 0.92 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.22 1ls8 h LYS 78 CO 0.08 0.03 0.31 -0.22 -2.09 0.00 0.00 179.45 177.56 1ls8 h LYS 79 N 0.00 0.88 -0.00 0.07 3.64 -1.44 -1.97 116.57 117.75 1ls8 h LYS 79 Ca -0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1ls8 h LYS 79 Cb 0.08 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1ls8 h LYS 79 CO 0.00 0.70 -0.52 0.72 -2.27 0.00 0.00 179.45 178.09 1ls8 n HIS 80 N -4.52 0.00 -0.51 1.91 8.25 -1.19 -5.00 115.22 114.16 1ls8 n HIS 80 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1ls8 n HIS 80 Cb 0.12 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.09 1ls8 n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ls8 n GLY 81 N 1.44 0.80 3.39 -1.41 0.00 -0.74 -4.98 105.19 103.69 1ls8 n GLY 81 Ca 0.08 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1ls8 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ls8 s ALA 82 N -2.34 -0.58 0.33 4.61 0.00 -0.86 -4.91 121.76 118.01 1ls8 s ALA 82 Ca 0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 51.96 51.12 1ls8 s ALA 82 Cb 0.00 -3.05 -0.10 0.00 0.00 0.00 0.00 23.12 19.97 1ls8 s ALA 82 CO 0.00 -4.27 0.94 -0.51 0.00 0.00 0.00 175.76 171.92 1ls8 s ASP 83 N -2.97 7.30 0.03 0.00 1.11 -1.26 -4.82 116.67 116.07 1ls8 s ASP 83 Ca 0.69 1.81 -0.25 0.00 0.18 0.00 0.00 52.55 54.98 1ls8 s ASP 83 Cb -0.17 -2.57 -0.18 0.00 1.07 0.00 0.00 42.92 41.07 1ls8 s ASP 83 CO 0.60 -0.09 1.48 1.05 1.18 0.00 0.00 175.17 179.39 1ls8 h GLU 84 N 3.08 -0.09 0.07 8.23 4.11 -1.99 -1.04 114.58 126.96 1ls8 h GLU 84 Ca -0.47 0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1ls8 h GLU 84 Cb 1.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1ls8 h GLU 84 CO 0.65 0.16 -0.07 1.15 0.07 0.00 0.00 179.01 180.97 1ls8 h THR 85 N -0.33 0.83 -0.65 -1.06 2.02 -1.98 0.03 112.91 111.76 1ls8 h THR 85 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1ls8 h THR 85 Cb 0.29 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1ls8 h THR 85 CO 0.02 0.00 0.28 -0.03 0.37 0.00 0.00 175.52 176.16 1ls8 h MET 86 N -0.16 0.96 -0.39 6.66 1.85 -1.94 0.20 114.93 122.10 1ls8 h MET 86 Ca 0.00 -0.16 -0.08 0.00 -0.61 0.00 0.00 59.70 58.85 1ls8 h MET 86 Cb 0.16 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.01 1ls8 h MET 86 CO -0.02 0.78 -0.10 0.00 -0.40 0.00 0.00 176.91 177.17 1ls8 h ALA 87 N 1.12 1.10 0.45 0.39 0.00 -0.96 -1.29 119.26 120.06 1ls8 h ALA 87 Ca 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ls8 h ALA 87 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ls8 h ALA 87 CO -0.02 0.56 -0.22 0.37 0.00 0.00 0.00 179.25 179.94 1ls8 h GLN 88 N 0.62 -0.58 -0.49 0.00 -0.00 -0.25 -2.77 115.11 111.63 1ls8 h GLN 88 Ca 0.11 0.04 0.07 0.00 -0.00 0.00 0.00 58.65 58.87 1ls8 h GLN 88 Cb 0.54 0.13 -0.06 0.00 0.00 0.00 0.00 27.48 28.10 1ls8 h GLN 88 CO 0.03 -0.31 0.17 1.96 0.00 0.00 0.00 178.83 180.68 1ls8 h GLN 89 N -0.77 0.33 0.00 1.69 4.20 -0.48 -0.77 115.11 119.31 1ls8 h GLN 89 Ca -0.06 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1ls8 h GLN 89 Cb 0.54 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1ls8 h GLN 89 CO 0.10 0.22 0.00 -0.07 -0.67 0.00 0.00 178.83 178.41 1ls8 h LEU 90 N 0.34 0.00 0.24 1.46 4.07 -1.26 0.20 115.31 120.36 1ls8 h LEU 90 Ca 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 1ls8 h LEU 90 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1ls8 h LEU 90 CO -0.25 0.00 -0.12 0.40 -1.08 0.00 0.00 178.44 177.40 1ls8 h ILE 91 N 0.00 0.65 -0.50 1.22 2.04 -0.88 -3.29 117.51 116.76 1ls8 h ILE 91 Ca 0.00 -0.91 0.06 0.00 1.00 0.00 0.00 64.86 65.01 1ls8 h ILE 91 Cb 0.41 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1ls8 h ILE 91 CO 0.00 0.16 0.33 -0.78 0.00 0.00 0.00 178.15 177.86 1ls8 h ASP 92 N -0.89 0.37 0.05 1.72 1.82 -0.32 -1.65 116.42 117.51 1ls8 h ASP 92 Ca -0.03 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.46 1ls8 h ASP 92 Cb 0.51 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 1ls8 h ASP 92 CO 0.06 0.24 -0.51 0.40 -1.61 0.00 0.00 179.24 177.81 1ls8 h ILE 93 N 0.42 1.32 0.18 2.25 2.04 -0.80 -0.11 117.51 122.82 1ls8 h ILE 93 Ca 0.22 -1.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 1ls8 h ILE 93 Cb 0.32 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1ls8 h ILE 93 CO -0.06 0.54 -0.09 0.58 0.00 0.00 0.00 178.15 179.13 1ls8 h VAL 94 N 0.41 0.88 -0.29 1.67 2.07 -1.37 -0.39 116.25 119.23 1ls8 h VAL 94 Ca 0.02 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.33 1ls8 h VAL 94 Cb 1.04 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 1ls8 h VAL 94 CO 0.10 0.06 -0.14 -0.74 0.02 0.00 0.00 177.57 176.87 1ls8 h HIS 95 N -0.37 -0.35 -0.61 1.57 -0.00 -1.39 0.20 115.15 114.20 1ls8 h HIS 95 Ca -0.02 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.30 1ls8 h HIS 95 Cb 0.29 0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.87 1ls8 h HIS 95 CO -0.03 -0.21 0.07 0.78 -0.00 0.00 0.00 177.93 178.54 1ls8 h GLY 96 N -0.10 1.11 1.08 5.26 0.00 -0.99 0.13 103.07 109.56 1ls8 h GLY 96 Ca 0.15 -0.77 -0.14 0.00 0.00 0.00 0.00 47.33 46.58 1ls8 h GLY 96 CO -0.36 0.71 -0.30 0.00 0.00 0.00 0.00 176.54 176.60 1ls8 h GLU 98 N 0.71 0.18 -0.13 0.00 5.08 -0.48 0.13 114.58 120.06 1ls8 h GLU 98 Ca 0.07 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1ls8 h GLU 98 Cb 0.88 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1ls8 h GLU 98 CO 0.08 0.28 -0.23 -0.22 -1.00 0.00 0.00 179.01 177.92 1ls8 h LYS 99 N 0.18 0.39 -0.09 2.33 3.11 -0.72 -3.27 116.57 118.50 1ls8 h LYS 99 Ca 0.04 -0.25 -0.05 0.00 -2.81 0.00 0.00 60.65 57.59 1ls8 h LYS 99 Cb 0.27 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.53 1ls8 h LYS 99 CO 0.01 0.84 -0.12 1.03 -2.81 0.00 0.00 179.45 178.40 1ls8 h SER 100 N -0.01 0.26 -2.74 4.20 0.87 -1.01 -3.42 113.55 111.71 1ls8 h SER 100 Ca 0.01 -0.51 -0.58 0.00 -1.23 0.00 0.00 61.79 59.48 1ls8 h SER 100 Cb 0.81 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 1ls8 h SER 100 CO 0.05 0.72 1.25 -0.89 -0.53 0.00 0.00 176.83 177.44 1ls8 s THR 101 N -4.17 3.53 0.00 2.23 2.01 0.44 -4.93 115.64 114.75 1ls8 s THR 101 Ca -0.15 0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1ls8 s THR 101 Cb 0.04 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1ls8 s THR 101 CO 0.73 -0.46 0.21 -0.81 -0.69 0.00 0.00 174.62 173.61 1ls8 n PRO 102 N 8.39 0.00 -3.46 4.92 -0.04 -1.26 -4.78 135.00 138.77 1ls8 n PRO 102 Ca 0.22 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.55 1ls8 n PRO 102 Cb 0.47 -0.66 -0.05 0.00 -0.04 0.00 0.00 33.50 33.22 1ls8 n PRO 102 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ls8 n ALA 103 N -1.21 0.45 -2.52 0.55 0.00 -1.26 -5.05 120.51 111.46 1ls8 n ALA 103 Ca 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 53.44 52.06 1ls8 n ALA 103 Cb 0.00 1.03 -0.08 0.00 0.00 0.00 0.00 19.45 20.40 1ls8 n ALA 103 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ls8 s ASN 104 N -2.53 0.09 0.66 0.00 2.47 -1.26 -4.85 114.94 109.52 1ls8 s ASN 104 Ca 0.26 -1.18 0.39 0.00 0.42 0.00 0.00 52.86 52.74 1ls8 s ASN 104 Cb 0.01 0.44 2.12 0.00 -1.45 0.00 0.00 41.25 42.36 1ls8 s ASN 104 CO 0.18 -0.92 2.22 -0.78 -3.72 0.00 0.00 177.10 174.08 1ls8 h ASP 105 N 2.53 0.00 -3.30 -4.21 3.58 -2.03 -3.40 116.42 109.60 1ls8 h ASP 105 Ca -0.33 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 56.70 1ls8 h ASP 105 Cb 1.24 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 41.92 1ls8 h ASP 105 CO 0.48 0.00 -0.77 -0.62 -2.88 0.00 0.00 179.24 175.46 1ls8 s ASP 106 N -5.04 1.41 0.58 2.28 -1.08 -1.26 -5.03 116.67 108.53 1ls8 s ASP 106 Ca -0.04 -0.08 0.38 0.00 -0.52 0.00 0.00 52.55 52.29 1ls8 s ASP 106 Cb 0.12 -0.42 1.95 0.00 -1.46 0.00 0.00 42.92 43.11 1ls8 s ASP 106 CO 0.39 -0.17 2.16 0.50 0.52 0.00 0.00 175.17 178.57 1ls8 h LYS 107 N 8.09 0.00 -0.16 4.34 3.11 -2.01 -0.34 116.57 129.61 1ls8 h LYS 107 Ca -0.24 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.54 1ls8 h LYS 107 Cb 1.13 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.36 1ls8 h LYS 107 CO 0.30 0.00 -0.14 0.00 -2.81 0.00 0.00 179.45 176.80 1ls8 h ILE 109 N 0.01 0.96 -0.42 0.00 1.08 -1.39 -0.02 117.51 117.74 1ls8 h ILE 109 Ca 0.03 -0.28 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 1ls8 h ILE 109 Cb 0.67 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 1ls8 h ILE 109 CO 0.04 0.15 0.17 -0.25 -0.69 0.00 0.00 178.15 177.56 1ls8 h TRP 110 N 0.82 0.65 0.56 1.37 7.01 -1.35 -1.05 115.95 123.95 1ls8 h TRP 110 Ca 0.39 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.32 1ls8 h TRP 110 Cb 0.42 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 1ls8 h TRP 110 CO -0.00 0.57 -0.40 1.15 -2.79 0.00 0.00 178.44 176.96 1ls8 h THR 111 N 0.54 0.19 -0.58 2.65 2.02 -1.14 -3.15 112.91 113.45 1ls8 h THR 111 Ca 0.14 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.41 1ls8 h THR 111 Cb 0.20 0.19 -0.11 0.00 -1.74 0.00 0.00 68.15 66.69 1ls8 h THR 111 CO -0.01 0.00 -0.42 -0.07 0.37 0.00 0.00 175.52 175.39 1ls8 h LEU 112 N -0.93 -1.43 -1.13 2.58 -0.00 -0.83 0.52 115.31 114.09 1ls8 h LEU 112 Ca -0.07 0.24 -0.05 0.00 -0.00 0.00 0.00 57.88 58.01 1ls8 h LEU 112 Cb 0.78 0.66 -0.02 0.00 -0.00 0.00 0.00 40.66 42.07 1ls8 h LEU 112 CO 0.03 -0.33 0.09 1.23 -0.00 0.00 0.00 178.44 179.46 1ls8 h GLY 113 N -0.22 0.76 1.08 0.83 0.00 -1.25 0.14 103.07 104.41 1ls8 h GLY 113 Ca 0.19 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1ls8 h GLY 113 CO -0.69 0.41 0.09 -2.08 0.00 0.00 0.00 176.54 174.27 1ls8 h VAL 114 N 0.68 1.27 0.00 4.60 2.07 -1.33 -0.56 116.25 122.98 1ls8 h VAL 114 Ca 0.15 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1ls8 h VAL 114 Cb 0.29 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1ls8 h VAL 114 CO 0.00 0.40 0.00 0.00 0.02 0.00 0.00 177.57 177.99 1ls8 h ALA 115 N 1.04 1.00 0.00 1.67 0.00 0.13 -1.43 119.26 121.67 1ls8 h ALA 115 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.72 1ls8 h ALA 115 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1ls8 h ALA 115 CO 0.02 0.00 -2.45 0.25 0.00 0.00 0.00 179.25 177.07 1ls8 n THR 116 N -2.54 1.45 -0.31 0.00 -2.24 0.28 -4.07 114.28 106.85 1ls8 n THR 116 Ca 0.02 -0.52 0.23 0.00 -2.27 0.00 0.00 64.05 61.51 1ls8 n THR 116 Cb 0.27 -1.48 0.53 0.00 -2.10 0.00 0.00 70.33 67.55 1ls8 n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ls8 h PHE 118 N 0.37 -1.23 0.00 0.00 3.04 -1.40 -0.47 116.94 117.25 1ls8 h PHE 118 Ca 0.57 0.06 -0.09 0.00 3.98 0.00 0.00 57.97 62.49 1ls8 h PHE 118 Cb 1.51 0.58 -0.01 0.00 2.56 0.00 0.00 35.95 40.58 1ls8 h PHE 118 CO -0.00 -0.45 -0.43 0.87 -2.02 0.00 0.00 178.31 176.27 1ls8 h LYS 119 N -0.40 0.00 -0.51 1.11 6.56 -1.16 -1.44 116.57 120.73 1ls8 h LYS 119 Ca 0.11 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.59 1ls8 h LYS 119 Cb 0.60 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.24 1ls8 h LYS 119 CO -0.50 0.43 -0.11 0.00 -2.06 0.00 0.00 179.45 177.22 1ls8 h ALA 120 N 1.57 0.71 -0.18 3.86 0.00 -1.05 -2.52 119.26 121.64 1ls8 h ALA 120 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1ls8 h ALA 120 Cb 1.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ls8 h ALA 120 CO 0.06 0.62 0.04 0.93 0.00 0.00 0.00 179.25 180.90 1ls8 h GLU 121 N 0.85 0.29 -0.44 0.00 4.39 -0.71 -1.68 114.58 117.29 1ls8 h GLU 121 Ca 0.13 -0.07 0.13 0.00 0.34 0.00 0.00 59.36 59.89 1ls8 h GLU 121 Cb 0.67 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1ls8 h GLU 121 CO 0.05 0.43 0.36 0.82 -1.16 0.00 0.00 179.01 179.51 1ls8 h ILE 122 N 0.10 0.60 0.01 3.13 1.08 -1.24 -0.52 117.51 120.66 1ls8 h ILE 122 Ca 0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 1ls8 h ILE 122 Cb 0.27 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1ls8 h ILE 122 CO 0.00 0.00 -0.08 0.45 -0.69 0.00 0.00 178.15 177.83 1ls8 h HIS 123 N 0.00 0.06 -0.52 1.37 3.86 -0.98 -0.32 115.15 118.62 1ls8 h HIS 123 Ca 0.21 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.42 1ls8 h HIS 123 Cb 0.93 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.36 1ls8 h HIS 123 CO 0.00 0.94 0.35 1.57 0.86 0.00 0.00 177.93 181.64 1ls8 h LYS 124 N -0.82 0.54 0.00 2.45 2.10 -0.64 -1.44 116.57 118.76 1ls8 h LYS 124 Ca -0.01 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1ls8 h LYS 124 Cb 0.96 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 1ls8 h LYS 124 CO 0.02 0.36 0.00 1.28 -2.00 0.00 0.00 179.45 179.10 1ls8 n LEU 125 N -4.47 0.00 -1.86 7.07 4.77 -0.27 -4.88 117.00 117.36 1ls8 n LEU 125 Ca 0.06 0.33 -0.18 0.00 -0.03 0.00 0.00 56.01 56.20 1ls8 n LEU 125 Cb 0.17 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1ls8 n LEU 125 CO 0.35 -0.11 -0.21 -3.20 -1.33 0.00 0.00 177.39 172.88 1ls8 n ASN 126 N -1.33 -5.27 -2.17 -1.43 2.85 -0.54 -4.92 115.26 102.45 1ls8 n ASN 126 Ca 0.08 0.14 -0.29 0.00 -0.11 0.00 0.00 54.58 54.41 1ls8 n ASN 126 Cb 0.18 -4.35 0.10 0.00 1.24 0.00 0.00 39.78 36.95 1ls8 n ASN 126 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1ls8 n TRP 127 N -3.51 2.95 -3.13 1.20 8.01 -0.15 -4.65 117.44 118.17 1ls8 n TRP 127 Ca -0.21 -2.56 -0.24 0.00 -1.31 0.00 0.00 57.50 53.18 1ls8 n TRP 127 Cb 0.64 -1.12 -0.05 0.00 -2.01 0.00 0.00 31.31 28.78 1ls8 n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ls8 n ALA 128 N -0.96 3.57 -0.22 6.99 0.00 -1.25 -4.87 120.51 123.78 1ls8 n ALA 128 Ca 0.57 -4.21 -0.08 0.00 0.00 0.00 0.00 53.44 49.72 1ls8 n ALA 128 Cb 0.94 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 19.59 1ls8 n ALA 128 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ls8 h PRO 129 N 3.32 1.00 -3.89 0.00 0.13 -1.95 -3.38 132.00 127.22 1ls8 h PRO 129 Ca 0.13 -0.26 -0.42 0.00 -0.87 0.00 0.00 66.00 64.58 1ls8 h PRO 129 Cb 0.70 -0.12 -0.35 0.00 0.13 0.00 0.00 31.00 31.36 1ls8 h PRO 129 CO 0.69 0.93 -0.77 0.45 -0.23 0.00 0.00 178.00 179.07 1ls8 s SER 130 N -6.36 1.15 0.24 1.44 0.15 -1.26 -5.04 113.70 104.02 1ls8 s SER 130 Ca -0.12 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.43 1ls8 s SER 130 Cb 0.13 -0.43 0.26 0.00 -1.71 0.00 0.00 66.02 64.27 1ls8 s SER 130 CO 0.83 -0.11 1.60 -0.03 1.20 0.00 0.00 173.24 176.73 1ls8 h MET 131 N 7.61 0.43 -7.05 5.44 4.05 -1.96 -3.44 114.93 120.01 1ls8 h MET 131 Ca -0.32 -0.23 -0.52 0.00 -0.28 0.00 0.00 59.70 58.35 1ls8 h MET 131 Cb 1.14 0.01 0.09 0.00 -0.80 0.00 0.00 31.60 32.04 1ls8 h MET 131 CO 0.40 0.81 0.50 -0.51 0.23 0.00 0.00 176.91 178.33 1ls8 s ASP 132 N -6.88 5.65 0.00 1.39 1.01 -1.26 -4.45 116.67 112.14 1ls8 s ASP 132 Ca -0.06 2.40 0.00 0.00 0.71 0.00 0.00 52.55 55.59 1ls8 s ASP 132 Cb 0.12 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1ls8 s ASP 132 CO 0.81 -1.28 0.00 0.52 0.21 0.00 0.00 175.17 175.43 1ls8 n VAL 133 N -1.03 -1.91 0.00 -1.27 0.31 -1.26 -5.10 118.33 108.06 1ls8 n VAL 133 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1ls8 n VAL 133 Cb 0.48 -3.83 0.00 0.00 -0.91 0.00 0.00 33.84 29.58 1ls8 n VAL 133 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ls8 n ALA 134 N -0.30 0.00 -0.98 3.52 0.00 -1.26 -4.98 120.51 116.52 1ls8 n ALA 134 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1ls8 n ALA 134 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1ls8 n ALA 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ls8 n VAL 135 N -1.06 0.59 -1.12 0.00 0.31 -1.25 -4.84 118.33 110.95 1ls8 n VAL 135 Ca 0.00 -0.65 0.05 0.00 -0.01 0.00 0.00 64.34 63.73 1ls8 n VAL 135 Cb 0.00 0.54 0.07 0.00 -0.91 0.00 0.00 33.84 33.55 1ls8 n VAL 135 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ls8 n GLY 136 N -0.38 3.00 0.00 2.92 0.00 -1.26 -5.00 105.19 104.46 1ls8 n GLY 136 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1ls8 n GLY 136 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ls8 n GLU 137 N -0.85 -1.34 -3.48 1.61 0.00 -1.26 -4.76 120.64 110.57 1ls8 n GLU 137 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 57.05 1ls8 n GLU 137 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 31.44 32.03 1ls8 n GLU 137 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1ls8 n ILE 138 N -2.72 -5.89 -1.70 6.31 2.08 -1.26 -4.83 119.36 111.34 1ls8 n ILE 138 Ca 0.00 0.02 -0.40 0.00 0.56 0.00 0.00 62.75 62.94 1ls8 n ILE 138 Cb 0.00 -4.46 -0.02 0.00 -0.75 0.00 0.00 39.64 34.42 1ls8 n ILE 138 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1ls8 n LEU 139 N -1.80 8.36 0.00 1.39 -0.00 -1.26 -4.91 117.00 118.78 1ls8 n LEU 139 Ca -0.16 -4.66 0.07 0.00 -0.00 0.00 0.00 56.01 51.26 1ls8 n LEU 139 Cb 0.62 -1.45 -0.02 0.00 -0.00 0.00 0.00 43.42 42.58 1ls8 n LEU 139 CO 0.58 2.06 -0.10 0.00 -0.00 0.00 0.00 177.39 179.94 1ls8 n ALA 140 N 2.56 -1.80 -0.74 1.96 0.00 -1.26 -4.97 120.51 116.26 1ls8 n ALA 140 Ca 0.69 0.17 0.00 0.00 0.00 0.00 0.00 53.44 54.30 1ls8 n ALA 140 Cb 0.24 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1ls8 n ALA 140 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ls8 n GLU 141 N -2.18 0.00 -0.01 0.00 4.07 -1.26 -5.24 120.64 116.02 1ls8 n GLU 141 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ls8 n GLU 141 Cb 0.24 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.62 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62