#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 0.94 0.06 4.33 4.15 -1.95 -0.66 115.11 121.99 1ls8 h GLN 2 Ca 0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1ls8 h GLN 2 Cb 0.00 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.48 1ls8 h GLN 2 CO 0.00 0.62 -0.03 1.49 -1.93 0.00 0.00 178.83 178.99 1ls8 h GLU 3 N 0.97 -0.08 -1.01 1.69 4.81 -1.99 -0.15 114.58 118.83 1ls8 h GLU 3 Ca 0.30 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.59 1ls8 h GLU 3 Cb -0.00 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 1ls8 h GLU 3 CO -0.08 0.53 0.65 0.28 -0.73 0.00 0.00 179.01 179.66 1ls8 h VAL 4 N -0.85 1.12 -0.03 0.32 2.07 -1.88 -0.54 116.25 116.46 1ls8 h VAL 4 Ca -0.01 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1ls8 h VAL 4 Cb 0.64 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1ls8 h VAL 4 CO 0.01 0.22 0.01 0.24 0.02 0.00 0.00 177.57 178.07 1ls8 h MET 5 N 1.21 0.05 -0.63 1.57 2.86 -0.93 0.24 114.93 119.32 1ls8 h MET 5 Ca 0.42 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 58.16 1ls8 h MET 5 Cb 0.11 -0.01 -0.12 0.00 0.06 0.00 0.00 31.60 31.64 1ls8 h MET 5 CO -0.15 0.28 -0.29 -0.22 1.06 0.00 0.00 176.91 177.58 1ls8 h LYS 6 N -0.18 -0.11 -0.26 1.72 3.64 -0.46 -2.94 116.57 117.98 1ls8 h LYS 6 Ca 0.01 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1ls8 h LYS 6 Cb 0.25 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1ls8 h LYS 6 CO 0.00 -0.07 0.07 -0.97 -2.27 0.00 0.00 179.45 176.21 1ls8 h ASN 7 N -0.12 0.39 0.00 4.20 -0.73 -0.53 -2.57 115.58 116.23 1ls8 h ASN 7 Ca 0.26 -0.22 0.00 0.00 1.87 0.00 0.00 56.30 58.21 1ls8 h ASN 7 Cb 0.54 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.03 1ls8 h ASN 7 CO -0.70 0.51 0.00 0.18 -0.37 0.00 0.00 177.43 177.04 1ls8 n LEU 8 N -4.72 0.00 0.00 0.34 4.77 0.81 -1.83 117.00 116.38 1ls8 n LEU 8 Ca -0.03 0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.02 1ls8 n LEU 8 Cb 0.17 -0.01 0.35 0.00 -2.33 0.00 0.00 43.42 41.60 1ls8 n LEU 8 CO 0.36 -0.01 0.56 -1.20 -1.33 0.00 0.00 177.39 175.78 1ls8 n SER 9 N -1.01 0.00 -0.08 -1.43 7.64 -0.97 -4.49 113.62 113.28 1ls8 n SER 9 Ca 0.01 -0.59 -0.02 0.00 1.01 0.00 0.00 58.87 59.28 1ls8 n SER 9 Cb 0.01 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.19 1ls8 n SER 9 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ls8 n LEU 10 N -0.88 -0.20 0.00 -3.43 4.77 -0.76 -2.11 117.00 114.39 1ls8 n LEU 10 Ca 0.09 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1ls8 n LEU 10 Cb 0.04 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1ls8 n LEU 10 CO 0.07 -0.30 -0.15 -0.46 -1.33 0.00 0.00 177.39 175.21 1ls8 n ASN 11 N -3.93 1.52 0.00 -1.43 0.23 -1.26 -4.85 115.26 105.54 1ls8 n ASN 11 Ca 0.00 -0.32 0.00 0.00 -0.53 0.00 0.00 54.58 53.74 1ls8 n ASN 11 Cb 0.05 0.94 0.00 0.00 -2.08 0.00 0.00 39.78 38.69 1ls8 n ASN 11 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1ls8 n PHE 12 N -1.09 0.00 1.01 -2.53 -0.00 -0.90 -1.16 117.46 112.80 1ls8 n PHE 12 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 1ls8 n PHE 12 Cb 0.00 -0.36 -0.00 0.00 -0.00 0.00 0.00 39.48 39.12 1ls8 n PHE 12 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ls8 n GLY 13 N -0.99 -0.20 0.09 7.13 0.00 -1.26 -3.99 105.19 105.98 1ls8 n GLY 13 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 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 1.91 0.12 0.00 1.61 3.64 -1.56 -2.09 116.57 120.20 1ls8 h LYS 14 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ls8 h LYS 14 Cb 0.70 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 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 -2.22 1.10 -0.03 5.00 0.00 -0.30 -2.45 120.51 121.60 1ls8 n ALA 15 Ca -0.03 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1ls8 n ALA 15 Cb 0.07 -1.31 0.53 0.00 0.00 0.00 0.00 19.45 18.74 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 0.00 0.30 -1.42 0.00 5.85 -1.55 -1.40 115.31 117.09 1ls8 h LEU 16 Ca 0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1ls8 h LEU 16 Cb 0.03 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1ls8 h LEU 16 CO 0.00 0.19 0.46 -0.78 -0.34 0.00 0.00 178.44 177.97 1ls8 h ASP 17 N 0.33 0.61 0.01 1.25 3.58 -1.66 0.30 116.42 120.85 1ls8 h ASP 17 Ca 0.23 0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.44 1ls8 h ASP 17 Cb 0.47 -0.12 0.02 0.00 1.72 0.00 0.00 39.33 41.42 1ls8 h ASP 17 CO -0.05 0.39 -0.96 -0.33 -2.88 0.00 0.00 179.24 175.41 1ls8 h GLU 18 N 0.69 0.62 -0.39 0.28 5.08 -1.49 -0.79 114.58 118.58 1ls8 h GLU 18 Ca 0.31 -0.69 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 1ls8 h GLU 18 Cb 0.32 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1ls8 h GLU 18 CO -0.10 1.28 -0.14 0.00 -1.00 0.00 0.00 179.01 179.05 1ls8 h LYS 20 N 0.63 0.00 0.25 0.00 1.57 -0.27 0.39 116.57 119.13 1ls8 h LYS 20 Ca 0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1ls8 h LYS 20 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1ls8 h LYS 20 CO 0.04 0.31 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.89 1ls8 h LYS 21 N 0.00 -0.32 0.00 3.15 1.63 -0.85 -1.32 116.57 118.85 1ls8 h LYS 21 Ca -0.00 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1ls8 h LYS 21 Cb 0.56 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1ls8 h LYS 21 CO 0.04 -0.21 -0.16 0.93 -3.45 0.00 0.00 179.45 176.60 1ls8 h GLU 22 N -0.40 0.00 -0.24 1.90 4.39 -0.16 -0.17 114.58 119.91 1ls8 h GLU 22 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ls8 h GLU 22 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1ls8 h GLU 22 CO 0.06 0.16 0.00 -1.33 -1.16 0.00 0.00 179.01 176.74 1ls8 n MET 23 N -4.19 1.93 -3.80 2.33 2.81 0.06 -5.01 117.12 111.26 1ls8 n MET 23 Ca -0.02 -1.79 -0.30 0.00 -1.81 0.00 0.00 57.70 53.78 1ls8 n MET 23 Cb 0.23 -1.31 0.02 0.00 -0.71 0.00 0.00 33.22 31.46 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 0.80 -4.69 -2.95 2.03 -1.04 -0.08 -4.99 114.28 103.36 1ls8 n THR 24 Ca 0.12 -0.78 -0.23 0.00 -2.04 0.00 0.00 64.05 61.12 1ls8 n THR 24 Cb 0.42 -3.64 0.01 0.00 -1.82 0.00 0.00 70.33 65.30 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 -6.71 3.64 0.70 -4.42 1.43 -0.52 -5.03 118.68 107.76 1ls8 s LEU 25 Ca 0.31 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.74 1ls8 s LEU 25 Cb -0.12 -3.22 0.11 0.00 0.03 0.00 0.00 46.19 43.00 1ls8 s LEU 25 CO 0.88 -0.70 0.97 0.42 0.23 0.00 0.00 176.35 178.14 1ls8 s THR 26 N -2.58 2.22 -1.81 5.49 -4.23 -1.26 -4.74 115.64 108.72 1ls8 s THR 26 Ca 0.48 -0.58 0.28 0.00 -1.18 0.00 0.00 61.69 60.69 1ls8 s THR 26 Cb -0.10 -2.64 0.40 0.00 1.34 0.00 0.00 72.50 71.51 1ls8 s THR 26 CO 0.38 0.00 1.73 -0.67 -0.54 0.00 0.00 174.62 175.52 1ls8 n ASP 27 N -2.78 0.82 0.09 3.99 -0.08 -1.26 -4.09 116.55 113.25 1ls8 n ASP 27 Ca 0.14 -0.84 -0.00 0.00 -1.51 0.00 0.00 54.79 52.57 1ls8 n ASP 27 Cb 0.60 0.03 0.29 0.00 2.34 0.00 0.00 41.12 44.38 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ls8 h ALA 28 N 3.75 1.27 0.00 -1.67 0.00 -2.01 -0.38 119.26 120.21 1ls8 h ALA 28 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ls8 h ALA 28 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ls8 h ALA 28 CO 0.00 0.49 -0.02 -0.84 0.00 0.00 0.00 179.25 178.88 1ls8 h ILE 29 N 0.24 0.93 0.00 0.00 3.07 -1.97 -0.80 117.51 118.98 1ls8 h ILE 29 Ca 0.04 -0.07 -0.02 0.00 1.55 0.00 0.00 64.86 66.35 1ls8 h ILE 29 Cb 0.62 1.04 -0.00 0.00 -0.27 0.00 0.00 36.82 38.21 1ls8 h ILE 29 CO 0.04 0.02 -0.11 -1.13 -1.05 0.00 0.00 178.15 175.92 1ls8 h ASN 30 N 0.00 0.00 0.12 2.16 -0.73 -1.32 -1.45 115.58 114.36 1ls8 h ASN 30 Ca -0.00 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.01 1ls8 h ASN 30 Cb 0.04 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.65 1ls8 h ASN 30 CO 0.00 0.11 -0.70 -0.08 -0.37 0.00 0.00 177.43 176.40 1ls8 h GLU 31 N 0.00 0.26 0.00 6.67 4.81 -1.27 -3.36 114.58 121.69 1ls8 h GLU 31 Ca -0.00 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1ls8 h GLU 31 Cb 0.26 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1ls8 h GLU 31 CO 0.01 1.21 0.00 -0.25 -0.73 0.00 0.00 179.01 179.25 1ls8 n ASP 32 N -4.19 0.00 0.04 1.04 8.00 -0.63 -0.60 116.55 120.20 1ls8 n ASP 32 Ca -0.13 -0.52 0.12 0.00 0.71 0.00 0.00 54.79 54.97 1ls8 n ASP 32 Cb 0.77 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 42.10 1ls8 n ASP 32 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ls8 n PHE 33 N -0.94 0.34 -2.16 1.24 3.01 -0.68 -4.36 117.46 113.91 1ls8 n PHE 33 Ca 0.10 0.10 0.02 0.00 1.01 0.00 0.00 57.45 58.67 1ls8 n PHE 33 Cb 0.04 -0.51 0.09 0.00 -0.01 0.00 0.00 39.48 39.09 1ls8 n PHE 33 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1ls8 n TYR 34 N -1.87 0.37 -2.84 1.38 9.36 0.23 -4.13 117.16 119.66 1ls8 n TYR 34 Ca 0.04 -1.19 -0.25 0.00 3.32 0.00 0.00 57.90 59.83 1ls8 n TYR 34 Cb 0.40 -0.21 -0.02 0.00 -0.63 0.00 0.00 39.34 38.87 1ls8 n TYR 34 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1ls8 n ASN 35 N -0.32 3.86 -0.00 2.98 2.85 -1.10 -4.77 115.26 118.76 1ls8 n ASN 35 Ca 0.14 -3.54 0.03 0.00 -0.11 0.00 0.00 54.58 51.10 1ls8 n ASN 35 Cb 0.93 -0.54 -0.04 0.00 1.24 0.00 0.00 39.78 41.36 1ls8 n ASN 35 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1ls8 n PHE 36 N -0.22 0.00 -0.21 1.20 3.72 -1.26 -4.75 117.46 115.94 1ls8 n PHE 36 Ca 0.31 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.66 1ls8 n PHE 36 Cb 0.52 -0.04 0.06 0.00 -0.94 0.00 0.00 39.48 39.08 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 0.69 -3.34 1.38 2.91 -1.83 -3.12 115.95 112.64 1ls8 h TRP 37 Ca 0.00 0.02 -0.55 0.00 1.13 0.00 0.00 58.89 59.49 1ls8 h TRP 37 Cb 0.21 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.60 1ls8 h TRP 37 CO 0.00 0.39 0.46 0.15 -1.03 0.00 0.00 178.44 178.41 1ls8 s LYS 38 N -6.13 4.50 0.14 2.65 3.01 -1.26 -4.50 119.74 118.15 1ls8 s LYS 38 Ca -0.13 1.41 -0.19 0.00 -1.01 0.00 0.00 55.97 56.06 1ls8 s LYS 38 Cb 0.14 -3.49 0.02 0.00 -1.01 0.00 0.00 37.83 33.49 1ls8 s LYS 38 CO 0.75 -0.17 1.69 1.05 0.51 0.00 0.00 175.35 179.18 1ls8 h GLU 39 N 6.93 -0.01 0.00 1.68 4.11 -1.86 -3.25 114.58 122.18 1ls8 h GLU 39 Ca -0.37 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.97 1ls8 h GLU 39 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1ls8 h GLU 39 CO 0.80 -0.01 -0.43 0.78 0.07 0.00 0.00 179.01 180.22 1ls8 h GLY 40 N -0.01 0.00 -7.19 1.06 0.00 -1.96 -3.35 103.07 91.62 1ls8 h GLY 40 Ca 0.13 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.87 1ls8 h GLY 40 CO -0.29 0.00 1.33 -0.47 0.00 0.00 0.00 176.54 177.11 1ls8 s TYR 41 N -3.65 2.51 0.33 5.60 5.04 -1.23 -4.98 117.35 120.97 1ls8 s TYR 41 Ca -0.00 -0.69 -0.26 0.00 -2.44 0.00 0.00 57.07 53.68 1ls8 s TYR 41 Cb 0.12 -4.65 -0.10 0.00 0.35 0.00 0.00 41.96 37.68 1ls8 s TYR 41 CO 0.70 -1.94 0.98 -2.00 -1.34 0.00 0.00 175.55 171.95 1ls8 s GLU 42 N 4.99 4.52 -0.74 4.97 2.12 -1.26 -4.79 118.70 128.51 1ls8 s GLU 42 Ca 0.42 1.41 -0.27 0.00 0.36 0.00 0.00 54.97 56.89 1ls8 s GLU 42 Cb -0.03 -2.80 0.02 0.00 0.26 0.00 0.00 34.13 31.58 1ls8 s GLU 42 CO -0.04 0.21 1.37 0.42 -0.54 0.00 0.00 175.26 176.68 1ls8 s ILE 43 N -1.57 3.68 -0.60 -3.70 1.01 -1.26 -4.80 121.20 113.96 1ls8 s ILE 43 Ca 0.51 0.30 0.25 0.00 0.00 0.00 0.00 60.65 61.70 1ls8 s ILE 43 Cb -0.21 -4.80 0.27 0.00 0.01 0.00 0.00 42.46 37.74 1ls8 s ILE 43 CO 0.26 -1.74 1.64 0.50 0.00 0.00 0.00 174.94 175.60 1ls8 h LYS 44 N 10.65 0.00 -6.71 2.79 3.64 -2.01 -3.45 116.57 121.48 1ls8 h LYS 44 Ca -0.24 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.56 1ls8 h LYS 44 Cb 1.06 0.00 0.12 0.00 -0.41 0.00 0.00 32.23 33.01 1ls8 h LYS 44 CO 1.28 0.00 0.32 -1.71 -2.27 0.00 0.00 179.45 177.07 1ls8 n ASN 45 N -2.56 1.89 -0.02 4.20 2.85 -1.26 -4.94 115.26 115.41 1ls8 n ASN 45 Ca 0.05 1.09 0.01 0.00 -0.11 0.00 0.00 54.58 55.62 1ls8 n ASN 45 Cb 0.47 -1.42 -0.08 0.00 1.24 0.00 0.00 39.78 39.99 1ls8 n ASN 45 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1ls8 n ARG 46 N 0.18 1.15 0.27 1.20 5.12 -1.26 -4.57 116.66 118.74 1ls8 n ARG 46 Ca 0.08 -0.06 0.11 0.00 -1.93 0.00 0.00 57.85 56.05 1ls8 n ARG 46 Cb 0.38 -1.26 0.73 0.00 -1.16 0.00 0.00 32.46 31.16 1ls8 n ARG 46 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1ls8 h GLU 47 N 0.00 0.00 0.08 5.56 5.08 -1.96 -2.24 114.58 121.10 1ls8 h GLU 47 Ca -0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1ls8 h GLU 47 Cb 0.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1ls8 h GLU 47 CO 0.01 0.05 -0.05 1.15 -1.00 0.00 0.00 179.01 179.16 1ls8 h THR 48 N 0.00 0.00 0.00 1.13 2.02 -1.93 0.11 112.91 114.24 1ls8 h THR 48 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1ls8 h THR 48 Cb 0.10 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1ls8 h THR 48 CO 0.01 0.00 -0.11 1.23 0.37 0.00 0.00 175.52 177.01 1ls8 h GLY 49 N -0.12 0.00 0.96 2.16 0.00 -1.79 0.41 103.07 104.69 1ls8 h GLY 49 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1ls8 h GLY 49 CO 0.01 0.00 0.18 0.00 0.00 0.00 0.00 176.54 176.73 1ls8 h ALA 51 N 1.03 0.85 0.16 0.00 0.00 0.52 -1.00 119.26 120.80 1ls8 h ALA 51 Ca 0.15 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ls8 h ALA 51 Cb 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ls8 h ALA 51 CO -0.01 0.50 -0.18 0.82 0.00 0.00 0.00 179.25 180.38 1ls8 h ILE 52 N 0.93 0.60 -0.75 0.00 2.04 -0.77 -0.41 117.51 119.14 1ls8 h ILE 52 Ca 0.21 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.11 1ls8 h ILE 52 Cb 0.27 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1ls8 h ILE 52 CO -0.01 0.00 0.47 -0.03 0.00 0.00 0.00 178.15 178.58 1ls8 h MET 53 N -0.38 0.87 -0.19 2.37 4.05 -1.27 -1.47 114.93 118.91 1ls8 h MET 53 Ca 0.01 -0.05 0.06 0.00 -0.28 0.00 0.00 59.70 59.43 1ls8 h MET 53 Cb 0.37 -0.20 -0.06 0.00 -0.80 0.00 0.00 31.60 30.90 1ls8 h MET 53 CO -0.06 0.58 -0.25 0.00 0.23 0.00 0.00 176.91 177.40 1ls8 h LEU 55 N -0.28 -0.36 -0.33 0.00 3.38 -0.55 -1.60 115.31 115.56 1ls8 h LEU 55 Ca 0.12 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1ls8 h LEU 55 Cb 0.47 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1ls8 h LEU 55 CO -0.36 -0.15 0.16 0.28 0.09 0.00 0.00 178.44 178.46 1ls8 h SER 56 N -0.10 0.43 -0.20 -0.43 0.02 -0.57 0.02 113.55 112.72 1ls8 h SER 56 Ca 0.11 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1ls8 h SER 56 Cb 0.26 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 1ls8 h SER 56 CO -0.25 0.44 -0.36 0.74 -1.14 0.00 0.00 176.83 176.26 1ls8 h THR 57 N 0.40 0.21 0.00 -2.27 2.02 -0.71 -0.46 112.91 112.09 1ls8 h THR 57 Ca 0.11 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.18 1ls8 h THR 57 Cb 0.13 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1ls8 h THR 57 CO -0.01 0.00 -0.54 0.11 0.37 0.00 0.00 175.52 175.45 1ls8 h LYS 58 N -0.40 0.00 0.00 6.66 1.79 -0.36 0.10 116.57 124.36 1ls8 h LYS 58 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1ls8 h LYS 58 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1ls8 h LYS 58 CO -0.42 0.54 0.00 1.28 -1.08 0.00 0.00 179.45 179.77 1ls8 n LEU 59 N -3.89 0.00 -1.69 2.94 4.77 -0.10 -4.87 117.00 114.17 1ls8 n LEU 59 Ca -0.01 0.18 -0.20 0.00 -0.03 0.00 0.00 56.01 55.95 1ls8 n LEU 59 Cb 0.55 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1ls8 n LEU 59 CO 0.41 -0.10 -0.20 0.59 -1.33 0.00 0.00 177.39 176.76 1ls8 n ASN 60 N -1.18 -5.28 -0.10 -1.43 3.02 0.35 -4.89 115.26 105.75 1ls8 n ASN 60 Ca 0.07 0.42 -0.11 0.00 -0.03 0.00 0.00 54.58 54.94 1ls8 n ASN 60 Cb 0.08 -4.65 -0.03 0.00 -0.61 0.00 0.00 39.78 34.57 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 0.00 0.51 -6.78 3.52 1.85 -1.26 -3.44 114.93 109.32 1ls8 h MET 61 Ca -0.41 -0.14 -0.50 0.00 -0.61 0.00 0.00 59.70 58.03 1ls8 h MET 61 Cb 1.30 -0.05 -0.00 0.00 0.43 0.00 0.00 31.60 33.27 1ls8 h MET 61 CO 0.59 0.62 0.09 -0.51 -0.40 0.00 0.00 176.91 177.30 1ls8 s LEU 62 N -9.55 3.90 0.83 3.39 1.43 -1.24 -2.01 118.68 115.43 1ls8 s LEU 62 Ca -0.13 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.99 1ls8 s LEU 62 Cb 0.08 -3.99 0.09 0.00 0.03 0.00 0.00 46.19 42.40 1ls8 s LEU 62 CO 0.75 -0.34 1.09 -1.81 0.23 0.00 0.00 176.35 176.28 1ls8 s ASP 63 N -2.95 4.09 -0.12 2.29 1.01 -0.20 -4.77 116.67 116.03 1ls8 s ASP 63 Ca 0.51 1.60 -0.01 0.00 0.71 0.00 0.00 52.55 55.36 1ls8 s ASP 63 Cb -0.10 -2.31 0.02 0.00 1.01 0.00 0.00 42.92 41.54 1ls8 s ASP 63 CO 0.28 -2.27 2.32 -0.81 0.21 0.00 0.00 175.17 174.90 1ls8 n PRO 64 N -3.65 1.47 0.00 8.23 -0.04 -1.26 -2.14 135.00 137.61 1ls8 n PRO 64 Ca 0.08 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 1ls8 n PRO 64 Cb 0.54 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 1.31 2.60 0.00 0.54 4.71 -1.26 -5.04 120.64 123.49 1ls8 n GLU 65 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.33 1ls8 n GLU 65 Cb 0.59 -0.76 0.00 0.00 -1.01 0.00 0.00 31.44 30.26 1ls8 n GLU 65 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ls8 n GLY 66 N 1.47 1.78 3.72 0.62 0.00 -0.91 -5.10 105.19 106.78 1ls8 n GLY 66 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1ls8 n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ls8 s ASN 67 N -0.89 4.27 0.07 1.61 0.01 -1.26 -4.78 114.94 113.98 1ls8 s ASN 67 Ca 0.00 2.41 -0.28 0.00 -0.71 0.00 0.00 52.86 54.28 1ls8 s ASN 67 Cb 0.00 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 1ls8 s ASN 67 CO 0.00 -2.22 0.90 -0.22 -1.51 0.00 0.00 177.10 174.06 1ls8 s LEU 68 N -4.99 4.46 -0.17 0.60 2.96 -1.26 -1.03 118.68 119.25 1ls8 s LEU 68 Ca 0.76 1.66 -0.28 0.00 -0.22 0.00 0.00 54.13 56.05 1ls8 s LEU 68 Cb -0.31 -3.47 -0.01 0.00 0.50 0.00 0.00 46.19 42.90 1ls8 s LEU 68 CO 0.44 -0.07 0.97 -2.28 -1.32 0.00 0.00 176.35 174.08 1ls8 s HIS 69 N 0.16 3.43 0.12 5.38 5.65 -0.85 -4.81 115.29 124.36 1ls8 s HIS 69 Ca 0.45 1.45 -0.28 0.00 0.25 0.00 0.00 55.06 56.93 1ls8 s HIS 69 Cb -0.22 -3.16 -0.06 0.00 -1.18 0.00 0.00 32.58 27.95 1ls8 s HIS 69 CO 0.27 -0.32 1.61 1.12 -0.65 0.00 0.00 174.74 176.77 1ls8 h HIS 70 N 7.29 -0.93 -0.42 3.88 2.07 -1.96 -2.77 115.15 122.31 1ls8 h HIS 70 Ca -0.26 0.03 -0.14 0.00 -2.85 0.00 0.00 60.37 57.14 1ls8 h HIS 70 Cb 1.11 0.41 -0.01 0.00 2.57 0.00 0.00 27.41 31.49 1ls8 h HIS 70 CO 0.73 -0.43 -0.30 0.78 -3.07 0.00 0.00 177.93 175.63 1ls8 h GLY 71 N -0.51 1.03 0.92 6.13 0.00 -1.94 0.16 103.07 108.86 1ls8 h GLY 71 Ca 0.05 -0.99 -0.00 0.00 0.00 0.00 0.00 47.33 46.39 1ls8 h GLY 71 CO -0.26 0.89 0.06 3.43 0.00 0.00 0.00 176.54 180.67 1ls8 h ASN 72 N 0.77 0.15 0.11 0.19 4.21 -1.85 0.11 115.58 119.27 1ls8 h ASN 72 Ca 0.08 -0.10 -0.08 0.00 1.21 0.00 0.00 56.30 57.41 1ls8 h ASN 72 Cb 0.89 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 38.04 1ls8 h ASN 72 CO 0.08 0.21 -0.28 0.00 -1.29 0.00 0.00 177.43 176.14 1ls8 h ALA 73 N 0.95 1.24 0.28 -0.83 0.00 -1.44 -2.42 119.26 117.05 1ls8 h ALA 73 Ca 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ls8 h ALA 73 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ls8 h ALA 73 CO -0.01 0.50 -0.18 1.98 0.00 0.00 0.00 179.25 181.55 1ls8 h MET 74 N 0.25 -0.43 0.00 0.00 1.85 -0.36 -1.49 114.93 114.75 1ls8 h MET 74 Ca 0.04 0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1ls8 h MET 74 Cb 0.64 0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.76 1ls8 h MET 74 CO 0.05 -0.29 -0.08 0.93 -0.40 0.00 0.00 176.91 177.12 1ls8 h GLU 75 N -0.45 0.00 0.15 0.39 5.08 -0.70 0.20 114.58 119.25 1ls8 h GLU 75 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1ls8 h GLU 75 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ls8 h GLU 75 CO 0.02 0.08 -0.07 0.35 -1.00 0.00 0.00 179.01 178.40 1ls8 h PHE 76 N 0.00 -0.18 -0.72 4.33 3.57 -1.30 -3.30 116.94 119.34 1ls8 h PHE 76 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1ls8 h PHE 76 Cb 0.21 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1ls8 h PHE 76 CO 0.00 0.25 0.23 0.00 -2.23 0.00 0.00 178.31 176.56 1ls8 h ALA 77 N 0.00 1.05 0.00 2.41 0.00 -0.21 -2.85 119.26 119.67 1ls8 h ALA 77 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ls8 h ALA 77 Cb 0.51 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ls8 h ALA 77 CO 0.03 0.64 -0.04 1.57 0.00 0.00 0.00 179.25 181.46 1ls8 h LYS 78 N 1.06 0.00 -1.01 0.00 5.09 -0.77 -3.04 116.57 117.90 1ls8 h LYS 78 Ca 0.23 0.00 0.23 0.00 0.09 0.00 0.00 60.65 61.20 1ls8 h LYS 78 Cb 0.29 0.00 -0.11 0.00 0.10 0.00 0.00 32.23 32.51 1ls8 h LYS 78 CO -0.01 0.04 0.61 -0.22 -2.09 0.00 0.00 179.45 177.78 1ls8 h LYS 79 N 0.00 0.61 -0.29 0.07 1.63 -1.58 -0.01 116.57 117.00 1ls8 h LYS 79 Ca -0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1ls8 h LYS 79 Cb 0.17 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1ls8 h LYS 79 CO 0.01 0.40 0.00 0.72 -3.45 0.00 0.00 179.45 177.13 1ls8 n HIS 80 N -4.80 0.97 -3.24 1.91 8.25 -1.15 -4.99 115.22 112.17 1ls8 n HIS 80 Ca 0.25 -0.83 -0.15 0.00 -0.26 0.00 0.00 57.72 56.73 1ls8 n HIS 80 Cb 0.69 -0.30 0.07 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.34 -0.78 1.30 -1.41 0.00 -0.02 -4.84 105.19 99.11 1ls8 n GLY 81 Ca 0.21 0.37 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 1ls8 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ls8 n ALA 82 N -3.46 -2.12 -1.58 4.61 0.00 -1.22 -4.99 120.51 111.75 1ls8 n ALA 82 Ca -0.15 -0.63 -0.29 0.00 0.00 0.00 0.00 53.44 52.37 1ls8 n ALA 82 Cb 0.63 -0.06 0.12 0.00 0.00 0.00 0.00 19.45 20.15 1ls8 n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ls8 s ASP 83 N -2.46 3.81 -0.04 0.00 1.01 -1.26 -5.00 116.67 112.72 1ls8 s ASP 83 Ca 0.27 1.01 -0.16 0.00 0.71 0.00 0.00 52.55 54.38 1ls8 s ASP 83 Cb -0.05 -1.61 -0.10 0.00 1.01 0.00 0.00 42.92 42.17 1ls8 s ASP 83 CO 0.23 -2.37 0.68 1.05 0.21 0.00 0.00 175.17 174.97 1ls8 h GLU 84 N -1.37 -0.40 -0.03 8.23 4.11 -1.99 -3.31 114.58 119.82 1ls8 h GLU 84 Ca -0.49 0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.00 1ls8 h GLU 84 Cb 1.32 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.61 1ls8 h GLU 84 CO 0.62 -0.16 -0.27 1.15 0.07 0.00 0.00 179.01 180.43 1ls8 h THR 85 N -1.05 0.39 -0.54 -1.06 2.02 -1.98 0.23 112.91 110.93 1ls8 h THR 85 Ca -0.04 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1ls8 h THR 85 Cb 0.43 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1ls8 h THR 85 CO 0.07 0.00 0.15 -0.03 0.37 0.00 0.00 175.52 176.08 1ls8 h MET 86 N -0.39 0.81 -0.18 6.66 1.85 -1.98 0.12 114.93 121.83 1ls8 h MET 86 Ca 0.07 -0.15 -0.13 0.00 -0.61 0.00 0.00 59.70 58.88 1ls8 h MET 86 Cb 0.49 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 1ls8 h MET 86 CO -0.26 0.72 -0.46 0.00 -0.40 0.00 0.00 176.91 176.51 1ls8 h ALA 87 N 1.38 0.88 0.01 0.39 0.00 -1.28 -2.13 119.26 118.52 1ls8 h ALA 87 Ca 0.18 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1ls8 h ALA 87 Cb 0.26 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ls8 h ALA 87 CO -0.01 0.65 -0.41 0.37 0.00 0.00 0.00 179.25 179.86 1ls8 h GLN 88 N 0.36 0.25 -0.35 0.00 5.75 0.22 -2.61 115.11 118.75 1ls8 h GLN 88 Ca 0.02 -0.29 0.02 0.00 -0.15 0.00 0.00 58.65 58.25 1ls8 h GLN 88 Cb 0.94 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.55 1ls8 h GLN 88 CO 0.08 1.01 0.19 1.96 -2.65 0.00 0.00 178.83 179.42 1ls8 h GLN 89 N -0.38 0.37 0.00 1.69 1.08 -0.83 -0.51 115.11 116.53 1ls8 h GLN 89 Ca -0.05 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1ls8 h GLN 89 Cb 1.16 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1ls8 h GLN 89 CO 0.08 0.24 0.00 -0.07 -0.95 0.00 0.00 178.83 178.13 1ls8 h LEU 90 N 0.38 0.00 0.27 1.46 4.07 -1.40 0.28 115.31 120.37 1ls8 h LEU 90 Ca 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 1ls8 h LEU 90 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1ls8 h LEU 90 CO -0.08 0.00 -0.13 0.40 -1.08 0.00 0.00 178.44 177.55 1ls8 h ILE 91 N 0.00 0.00 -0.57 1.22 2.04 -0.95 -3.37 117.51 115.89 1ls8 h ILE 91 Ca 0.00 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.46 1ls8 h ILE 91 Cb 0.32 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1ls8 h ILE 91 CO 0.00 0.00 0.38 -0.78 0.00 0.00 0.00 178.15 177.75 1ls8 h ASP 92 N -0.80 0.58 -0.57 1.72 1.82 0.10 -1.99 116.42 117.28 1ls8 h ASP 92 Ca -0.04 -0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.62 1ls8 h ASP 92 Cb 0.28 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.11 1ls8 h ASP 92 CO 0.06 0.40 0.35 0.40 -1.61 0.00 0.00 179.24 178.84 1ls8 h ILE 93 N 0.67 1.07 -0.02 2.25 2.04 -0.70 0.12 117.51 122.95 1ls8 h ILE 93 Ca 0.23 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1ls8 h ILE 93 Cb 0.07 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1ls8 h ILE 93 CO -0.06 0.13 -0.08 0.58 0.00 0.00 0.00 178.15 178.72 1ls8 h VAL 94 N 0.69 0.79 -0.28 1.67 2.07 -1.51 0.88 116.25 120.56 1ls8 h VAL 94 Ca 0.23 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 1ls8 h VAL 94 Cb 0.02 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1ls8 h VAL 94 CO -0.10 0.00 0.13 -0.74 0.02 0.00 0.00 177.57 176.89 1ls8 h HIS 95 N -0.13 0.40 -0.82 1.57 -0.00 -1.51 0.32 115.15 114.98 1ls8 h HIS 95 Ca 0.04 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 1ls8 h HIS 95 Cb 0.18 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.43 1ls8 h HIS 95 CO -0.15 0.37 0.36 0.78 -0.00 0.00 0.00 177.93 179.29 1ls8 h GLY 96 N 0.32 1.29 1.07 5.26 0.00 -0.44 0.02 103.07 110.58 1ls8 h GLY 96 Ca 0.10 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 1ls8 h GLY 96 CO -0.01 0.63 -0.20 0.00 0.00 0.00 0.00 176.54 176.96 1ls8 h GLU 98 N 0.76 0.00 0.00 0.00 5.08 -0.21 0.19 114.58 120.40 1ls8 h GLU 98 Ca 0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1ls8 h GLU 98 Cb 0.78 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1ls8 h GLU 98 CO 0.06 0.00 -1.16 1.63 -1.00 0.00 0.00 179.01 178.54 1ls8 n LYS 99 N -2.72 0.61 -0.01 2.33 5.02 -0.07 -4.05 118.16 119.26 1ls8 n LYS 99 Ca -0.00 0.14 -0.19 0.00 -2.02 0.00 0.00 58.31 56.24 1ls8 n LYS 99 Cb 0.18 -1.81 -0.14 0.00 -0.02 0.00 0.00 35.03 33.24 1ls8 n LYS 99 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1ls8 h SER 100 N 0.00 0.27 -2.94 4.39 0.02 -1.15 -3.45 113.55 110.69 1ls8 h SER 100 Ca -0.05 -0.87 -0.57 0.00 -0.84 0.00 0.00 61.79 59.46 1ls8 h SER 100 Cb 1.18 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 1ls8 h SER 100 CO 0.01 1.38 1.00 -0.89 -1.14 0.00 0.00 176.83 177.20 1ls8 s THR 101 N -2.39 4.01 0.76 -2.27 2.01 0.60 -5.05 115.64 113.32 1ls8 s THR 101 Ca -0.19 1.18 -0.13 0.00 0.31 0.00 0.00 61.69 62.86 1ls8 s THR 101 Cb 0.02 -3.94 0.19 0.00 0.01 0.00 0.00 72.50 68.78 1ls8 s THR 101 CO 0.75 -0.30 0.68 -0.81 -0.69 0.00 0.00 174.62 174.25 1ls8 n PRO 102 N 7.20 -2.28 -0.59 4.92 -0.04 -1.26 -4.69 135.00 138.26 1ls8 n PRO 102 Ca 0.16 -1.09 -0.30 0.00 -0.04 0.00 0.00 63.50 62.23 1ls8 n PRO 102 Cb 0.45 -1.01 0.21 0.00 -0.04 0.00 0.00 33.50 33.11 1ls8 n PRO 102 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ls8 s ALA 103 N -3.04 0.58 0.17 0.55 0.00 -1.26 -4.98 121.76 113.77 1ls8 s ALA 103 Ca 0.44 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.75 1ls8 s ALA 103 Cb -0.04 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1ls8 s ALA 103 CO 0.34 -3.29 -0.04 1.21 0.00 0.00 0.00 175.76 173.97 1ls8 s ASN 104 N -2.54 1.59 0.00 0.00 2.47 -1.26 -5.02 114.94 110.18 1ls8 s ASN 104 Ca 0.68 -1.12 0.23 0.00 0.42 0.00 0.00 52.86 53.07 1ls8 s ASN 104 Cb -0.24 0.04 1.13 0.00 -1.45 0.00 0.00 41.25 40.73 1ls8 s ASN 104 CO 0.61 -0.46 1.74 -0.67 -3.72 0.00 0.00 177.10 174.60 1ls8 n ASP 105 N -0.26 0.00 -3.66 -4.21 2.03 -1.26 -4.66 116.55 104.53 1ls8 n ASP 105 Ca -0.08 0.01 -0.15 0.00 0.52 0.00 0.00 54.79 55.09 1ls8 n ASP 105 Cb 0.62 -0.30 -0.14 0.00 -0.72 0.00 0.00 41.12 40.58 1ls8 n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ls8 s ASP 106 N -2.61 0.49 0.49 1.67 2.15 -1.26 -5.02 116.67 112.58 1ls8 s ASP 106 Ca 0.21 0.50 0.22 0.00 0.43 0.00 0.00 52.55 53.90 1ls8 s ASP 106 Cb 0.15 0.57 1.26 0.00 -0.30 0.00 0.00 42.92 44.60 1ls8 s ASP 106 CO 0.35 -0.24 1.95 0.50 -0.17 0.00 0.00 175.17 177.56 1ls8 h LYS 107 N 8.31 0.17 0.23 4.34 1.63 -1.99 -0.12 116.57 129.14 1ls8 h LYS 107 Ca -0.14 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1ls8 h LYS 107 Cb 1.12 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1ls8 h LYS 107 CO 0.14 0.12 -0.11 0.00 -3.45 0.00 0.00 179.45 176.14 1ls8 h ILE 109 N -0.49 1.24 0.14 0.00 5.03 -1.61 -1.06 117.51 120.77 1ls8 h ILE 109 Ca -0.03 -0.95 0.01 0.00 -0.12 0.00 0.00 64.86 63.77 1ls8 h ILE 109 Cb 0.37 0.78 -0.02 0.00 -3.03 0.00 0.00 36.82 34.92 1ls8 h ILE 109 CO 0.05 0.34 -0.15 -0.25 -0.68 0.00 0.00 178.15 177.46 1ls8 h TRP 110 N 0.80 -0.40 0.30 1.37 7.01 -0.73 -2.85 115.95 121.45 1ls8 h TRP 110 Ca 0.16 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 1ls8 h TRP 110 Cb 0.40 0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 1ls8 h TRP 110 CO 0.02 -0.23 -0.14 1.15 -2.79 0.00 0.00 178.44 176.45 1ls8 h THR 111 N -0.33 0.73 -1.11 2.65 2.02 -0.64 -2.84 112.91 113.39 1ls8 h THR 111 Ca 0.01 -0.20 0.31 0.00 0.77 0.00 0.00 66.41 67.30 1ls8 h THR 111 Cb 0.32 0.84 -0.10 0.00 -1.74 0.00 0.00 68.15 67.47 1ls8 h THR 111 CO -0.05 0.04 0.72 -0.07 0.37 0.00 0.00 175.52 176.53 1ls8 h LEU 112 N -0.50 0.38 -0.02 2.58 4.07 -1.13 0.46 115.31 121.14 1ls8 h LEU 112 Ca -0.04 0.09 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1ls8 h LEU 112 Cb 0.38 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1ls8 h LEU 112 CO 0.07 0.01 -0.07 1.23 -1.08 0.00 0.00 178.44 178.60 1ls8 h GLY 113 N 0.30 0.10 0.88 0.83 0.00 -1.28 -1.20 103.07 102.71 1ls8 h GLY 113 Ca 0.65 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.89 1ls8 h GLY 113 CO -0.32 0.12 0.62 -2.08 0.00 0.00 0.00 176.54 174.88 1ls8 h VAL 114 N -0.49 1.13 0.00 4.60 2.07 -1.01 -1.01 116.25 121.54 1ls8 h VAL 114 Ca -0.00 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 1ls8 h VAL 114 Cb 0.70 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1ls8 h VAL 114 CO 0.02 0.21 -0.33 0.00 0.02 0.00 0.00 177.57 177.48 1ls8 h ALA 115 N 1.46 1.19 0.00 1.67 0.00 -0.12 0.80 119.26 124.26 1ls8 h ALA 115 Ca 0.39 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ls8 h ALA 115 Cb 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ls8 h ALA 115 CO -0.13 0.42 -0.01 1.79 0.00 0.00 0.00 179.25 181.31 1ls8 h THR 116 N 0.00 1.03 -0.94 0.00 1.35 -0.65 -3.27 112.91 110.43 1ls8 h THR 116 Ca -0.00 -1.77 0.14 0.00 -0.55 0.00 0.00 66.41 64.22 1ls8 h THR 116 Cb 0.71 1.94 -0.09 0.00 -1.73 0.00 0.00 68.15 68.98 1ls8 h THR 116 CO 0.04 0.35 0.55 0.00 -0.25 0.00 0.00 175.52 176.21 1ls8 h PHE 118 N 0.82 -0.59 -0.01 0.00 3.57 -0.99 0.08 116.94 119.81 1ls8 h PHE 118 Ca 0.49 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.92 1ls8 h PHE 118 Cb 0.61 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1ls8 h PHE 118 CO -0.04 -0.31 -0.45 0.87 -2.23 0.00 0.00 178.31 176.16 1ls8 h LYS 119 N -0.30 0.02 -0.59 1.11 1.79 -1.21 -1.75 116.57 115.65 1ls8 h LYS 119 Ca 0.09 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.47 1ls8 h LYS 119 Cb 0.43 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 1ls8 h LYS 119 CO -0.28 0.47 0.06 0.00 -1.08 0.00 0.00 179.45 178.62 1ls8 h ALA 120 N 1.53 0.99 -0.61 3.86 0.00 -0.60 -2.36 119.26 122.07 1ls8 h ALA 120 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1ls8 h ALA 120 Cb 0.80 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1ls8 h ALA 120 CO 0.06 0.63 0.22 0.93 0.00 0.00 0.00 179.25 181.09 1ls8 h GLU 121 N 0.92 0.92 0.00 0.00 4.39 -0.52 -0.38 114.58 119.90 1ls8 h GLU 121 Ca 0.18 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ls8 h GLU 121 Cb 0.45 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1ls8 h GLU 121 CO 0.02 0.80 0.00 -0.89 -1.16 0.00 0.00 179.01 177.77 1ls8 n ILE 122 N -4.43 0.32 -0.08 3.13 2.08 -0.70 -1.27 119.36 118.42 1ls8 n ILE 122 Ca 0.04 0.08 -0.06 0.00 0.56 0.00 0.00 62.75 63.36 1ls8 n ILE 122 Cb 0.18 -0.95 -0.02 0.00 -0.75 0.00 0.00 39.64 38.10 1ls8 n ILE 122 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1ls8 n HIS 123 N -1.11 0.51 0.31 1.39 -0.00 -0.29 -3.27 115.22 112.76 1ls8 n HIS 123 Ca 0.05 0.22 0.19 0.00 0.46 0.00 0.00 57.72 58.65 1ls8 n HIS 123 Cb 0.04 -0.64 1.02 0.00 -0.12 0.00 0.00 29.99 30.29 1ls8 n HIS 123 CO 0.00 0.00 0.00 1.57 0.46 0.00 0.00 176.34 178.37 1ls8 h LYS 124 N -0.96 0.00 -0.00 1.57 5.09 -0.74 0.29 116.57 121.81 1ls8 h LYS 124 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1ls8 h LYS 124 Cb 0.69 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.02 1ls8 h LYS 124 CO 0.00 0.02 -0.06 1.28 -2.09 0.00 0.00 179.45 178.60 1ls8 n LEU 125 N -3.31 0.52 -0.73 7.07 4.77 -0.39 -4.96 117.00 119.96 1ls8 n LEU 125 Ca -0.02 -0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 55.82 1ls8 n LEU 125 Cb 0.13 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1ls8 n LEU 125 CO 0.24 0.09 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.11 1ls8 n ASN 126 N -0.78 -2.51 -1.81 -1.43 5.15 0.09 -4.97 115.26 109.00 1ls8 n ASN 126 Ca 0.17 -0.01 -0.20 0.00 -0.60 0.00 0.00 54.58 53.95 1ls8 n ASN 126 Cb 0.25 -1.86 0.08 0.00 -0.53 0.00 0.00 39.78 37.72 1ls8 n ASN 126 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1ls8 n TRP 127 N -4.00 2.32 -3.35 1.20 8.01 -1.23 -4.78 117.44 115.61 1ls8 n TRP 127 Ca -0.08 -2.20 -0.26 0.00 -1.31 0.00 0.00 57.50 53.66 1ls8 n TRP 127 Cb 0.56 -0.56 -0.09 0.00 -2.01 0.00 0.00 31.31 29.22 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 -0.85 2.87 0.03 6.99 0.00 -1.20 -4.88 120.51 123.47 1ls8 n ALA 128 Ca 0.43 -3.59 -0.11 0.00 0.00 0.00 0.00 53.44 50.17 1ls8 n ALA 128 Cb 0.90 -0.82 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 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 4.66 -0.15 0.00 0.00 0.13 -1.86 -3.45 132.00 131.32 1ls8 h PRO 129 Ca 0.16 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1ls8 h PRO 129 Cb 0.85 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1ls8 h PRO 129 CO 0.50 0.33 0.00 0.43 -0.23 0.00 0.00 178.00 179.04 1ls8 n SER 130 N -4.89 0.00 0.04 1.44 7.64 -1.26 -5.04 113.62 111.55 1ls8 n SER 130 Ca -0.08 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.69 1ls8 n SER 130 Cb 0.28 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.40 1ls8 n SER 130 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1ls8 h MET 131 N 0.00 -0.18 -2.07 1.43 2.86 -2.01 -3.49 114.93 111.47 1ls8 h MET 131 Ca 0.00 0.01 0.25 0.00 -2.06 0.00 0.00 59.70 57.90 1ls8 h MET 131 Cb 0.00 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.62 1ls8 h MET 131 CO 0.00 0.27 0.68 0.16 1.06 0.00 0.00 176.91 179.09 1ls8 s ASP 132 N -5.54 -0.06 0.00 1.22 1.47 -1.26 -5.14 116.67 107.36 1ls8 s ASP 132 Ca -0.13 -0.36 0.00 0.00 1.18 0.00 0.00 52.55 53.25 1ls8 s ASP 132 Cb 0.00 0.34 0.00 0.00 -0.34 0.00 0.00 42.92 42.92 1ls8 s ASP 132 CO 0.48 -0.64 0.00 0.52 0.68 0.00 0.00 175.17 176.20 1ls8 n VAL 133 N -0.60 0.00 0.00 2.11 0.31 -1.26 -4.53 118.33 114.36 1ls8 n VAL 133 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1ls8 n VAL 133 Cb 0.61 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 -2.06 0.12 -3.79 3.52 0.00 -1.26 -2.10 120.51 114.93 1ls8 n ALA 134 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1ls8 n ALA 134 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1ls8 n ALA 134 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ls8 s VAL 135 N 0.00 1.63 0.13 0.00 1.01 -1.26 -4.88 120.40 117.03 1ls8 s VAL 135 Ca 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 61.98 59.51 1ls8 s VAL 135 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1ls8 s VAL 135 CO 0.00 -0.81 0.00 0.61 0.00 0.00 0.00 175.10 174.90 1ls8 n GLY 136 N 3.78 -1.90 0.00 4.51 0.00 -1.26 -4.81 105.19 105.51 1ls8 n GLY 136 Ca 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1ls8 n GLY 136 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ls8 n GLU 137 N -2.65 0.00 -2.00 1.61 0.28 -1.26 -4.47 120.64 112.15 1ls8 n GLU 137 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.90 1ls8 n GLU 137 Cb 0.20 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.08 1ls8 n GLU 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1ls8 n ILE 138 N 0.00 -1.39 -2.91 3.84 2.08 -1.26 -4.70 119.36 115.03 1ls8 n ILE 138 Ca 0.00 0.14 -0.42 0.00 0.56 0.00 0.00 62.75 63.03 1ls8 n ILE 138 Cb 0.00 -1.57 -0.05 0.00 -0.75 0.00 0.00 39.64 37.28 1ls8 n ILE 138 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1ls8 s LEU 139 N -0.82 4.08 -0.98 1.39 1.98 -1.26 -3.40 118.68 119.68 1ls8 s LEU 139 Ca 0.09 0.52 -0.25 0.00 -2.89 0.00 0.00 54.13 51.60 1ls8 s LEU 139 Cb -0.01 -3.11 -0.18 0.00 0.66 0.00 0.00 46.19 43.55 1ls8 s LEU 139 CO 0.20 -0.73 1.95 0.00 -1.89 0.00 0.00 176.35 175.88 1ls8 n ALA 140 N 6.46 1.41 0.18 5.97 0.00 -1.18 -4.73 120.51 128.63 1ls8 n ALA 140 Ca 0.04 -2.78 0.04 0.00 0.00 0.00 0.00 53.44 50.74 1ls8 n ALA 140 Cb 0.48 -3.49 0.34 0.00 0.00 0.00 0.00 19.45 16.78 1ls8 n ALA 140 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1ls8 h GLU 141 N 10.10 0.00 0.00 0.00 4.11 -1.93 -3.44 114.58 123.41 1ls8 h GLU 141 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 1ls8 h GLU 141 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1ls8 h GLU 141 CO 1.34 0.41 0.00 1.55 0.07 0.00 0.00 179.01 182.38