#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 0.00 0.00 4.33 3.07 -2.00 -1.72 115.11 118.79 1ls8 h GLN 2 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1ls8 h GLN 2 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 1ls8 h GLN 2 CO 0.00 0.08 -0.39 1.49 0.09 0.00 0.00 178.83 180.10 1ls8 h GLU 3 N 0.00 0.00 -0.85 0.06 4.81 -2.03 -3.32 114.58 113.25 1ls8 h GLU 3 Ca -0.00 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 1ls8 h GLU 3 Cb 0.24 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 1ls8 h GLU 3 CO 0.01 0.18 0.56 0.28 -0.73 0.00 0.00 179.01 179.31 1ls8 h VAL 4 N -1.00 0.79 0.04 0.32 2.07 -1.89 0.22 116.25 116.79 1ls8 h VAL 4 Ca -0.04 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1ls8 h VAL 4 Cb 0.47 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1ls8 h VAL 4 CO -0.02 0.10 -0.02 0.24 0.02 0.00 0.00 177.57 177.89 1ls8 h MET 5 N 0.55 -0.05 -0.75 1.57 2.86 -1.49 0.21 114.93 117.83 1ls8 h MET 5 Ca 0.43 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.05 1ls8 h MET 5 Cb 0.86 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 1ls8 h MET 5 CO -0.18 0.02 0.39 -0.22 1.06 0.00 0.00 176.91 177.98 1ls8 h LYS 6 N -0.11 1.06 0.00 1.72 3.64 -1.30 -3.06 116.57 118.52 1ls8 h LYS 6 Ca -0.01 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1ls8 h LYS 6 Cb 0.09 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1ls8 h LYS 6 CO 0.01 0.80 -0.13 -0.97 -2.27 0.00 0.00 179.45 176.89 1ls8 h ASN 7 N 1.04 0.00 1.07 4.20 -1.24 -0.08 -0.10 115.58 120.47 1ls8 h ASN 7 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.27 1ls8 h ASN 7 Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1ls8 h ASN 7 CO -0.04 0.13 0.00 0.18 -1.29 0.00 0.00 177.43 176.41 1ls8 n LEU 8 N -4.22 0.25 -1.73 0.34 4.77 0.70 -4.32 117.00 112.80 1ls8 n LEU 8 Ca -0.03 0.53 -0.06 0.00 -0.03 0.00 0.00 56.01 56.42 1ls8 n LEU 8 Cb 0.20 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 1ls8 n LEU 8 CO 0.34 -0.10 1.26 -1.20 -1.33 0.00 0.00 177.39 176.37 1ls8 n SER 9 N -1.74 5.37 0.19 -1.43 7.64 -0.05 -4.38 113.62 119.21 1ls8 n SER 9 Ca 0.06 -2.48 -0.08 0.00 1.01 0.00 0.00 58.87 57.39 1ls8 n SER 9 Cb 0.34 -1.24 -0.04 0.00 -1.01 0.00 0.00 64.21 62.26 1ls8 n SER 9 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ls8 h LEU 10 N 3.79 -0.42 0.00 -3.43 -0.00 -1.81 -3.37 115.31 110.08 1ls8 h LEU 10 Ca 0.09 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1ls8 h LEU 10 Cb 1.20 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.96 1ls8 h LEU 10 CO 0.13 -0.27 -1.33 0.59 -0.00 0.00 0.00 178.44 177.56 1ls8 n ASN 11 N -3.47 0.67 -0.30 -0.43 3.02 -1.26 -4.25 115.26 109.23 1ls8 n ASN 11 Ca -0.06 -0.67 0.14 0.00 -0.03 0.00 0.00 54.58 53.96 1ls8 n ASN 11 Cb 0.19 1.33 0.31 0.00 -0.61 0.00 0.00 39.78 41.01 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 0.59 0.00 3.10 3.04 -1.78 -0.93 116.94 120.95 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 0.67 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1ls8 h PHE 12 CO 0.00 -0.10 0.00 0.41 -2.02 0.00 0.00 178.31 176.60 1ls8 n GLY 13 N -1.34 0.82 0.30 2.40 0.00 -1.26 -4.72 105.19 101.39 1ls8 n GLY 13 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.26 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 0.61 0.00 1.61 3.64 -1.63 -0.47 116.57 120.33 1ls8 h LYS 14 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ls8 h LYS 14 Cb 0.01 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1ls8 h LYS 14 CO 0.00 0.49 0.00 0.00 -2.27 0.00 0.00 179.45 177.67 1ls8 n ALA 15 N -2.47 1.93 -0.13 5.00 0.00 -0.39 -2.63 120.51 121.82 1ls8 n ALA 15 Ca 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 1ls8 n ALA 15 Cb 0.13 -1.31 0.21 0.00 0.00 0.00 0.00 19.45 18.49 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 0.77 -2.22 0.00 5.85 -1.30 -3.04 115.31 115.37 1ls8 h LEU 16 Ca 0.00 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1ls8 h LEU 16 Cb 0.26 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1ls8 h LEU 16 CO 0.00 0.72 0.00 0.44 -0.34 0.00 0.00 178.44 179.26 1ls8 h ASP 17 N 0.81 0.00 0.14 1.25 3.32 -1.63 0.40 116.42 120.71 1ls8 h ASP 17 Ca 0.19 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1ls8 h ASP 17 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1ls8 h ASP 17 CO -0.01 0.00 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.11 1ls8 h GLU 18 N 0.00 -0.18 -0.44 3.56 4.39 -1.73 -2.59 114.58 117.59 1ls8 h GLU 18 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ls8 h GLU 18 Cb 0.12 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1ls8 h GLU 18 CO 0.00 0.02 0.28 0.00 -1.16 0.00 0.00 179.01 178.15 1ls8 h LYS 20 N 0.60 0.04 -0.44 0.00 1.57 -0.42 0.49 116.57 118.41 1ls8 h LYS 20 Ca 0.16 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1ls8 h LYS 20 Cb -0.06 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1ls8 h LYS 20 CO -0.03 0.27 0.23 -0.22 -0.57 0.00 0.00 179.45 179.13 1ls8 h LYS 21 N -0.20 0.46 0.29 3.15 3.11 -0.87 0.47 116.57 122.97 1ls8 h LYS 21 Ca 0.01 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1ls8 h LYS 21 Cb 0.25 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1ls8 h LYS 21 CO 0.00 0.30 -0.14 0.93 -2.81 0.00 0.00 179.45 177.73 1ls8 h GLU 22 N 0.47 -0.38 0.00 1.90 5.08 -0.55 -3.18 114.58 117.93 1ls8 h GLU 22 Ca 0.18 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1ls8 h GLU 22 Cb 0.07 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ls8 h GLU 22 CO -0.11 -0.04 0.00 0.52 -1.00 0.00 0.00 179.01 178.38 1ls8 h MET 23 N -0.80 0.00 -5.54 2.33 2.86 -0.95 -3.48 114.93 109.35 1ls8 h MET 23 Ca -0.04 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1ls8 h MET 23 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1ls8 h MET 23 CO 0.07 0.00 -0.64 2.41 1.06 0.00 0.00 176.91 179.81 1ls8 n THR 24 N -2.44 -9.70 -4.27 2.22 -1.04 0.06 -5.06 114.28 94.05 1ls8 n THR 24 Ca 0.04 0.72 -0.30 0.00 -2.04 0.00 0.00 64.05 62.48 1ls8 n THR 24 Cb 0.40 -6.57 -0.10 0.00 -1.82 0.00 0.00 70.33 62.24 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 -2.60 3.06 0.51 -4.42 1.43 -0.64 -5.04 118.68 110.98 1ls8 s LEU 25 Ca 0.27 -0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 52.86 1ls8 s LEU 25 Cb -0.06 -1.84 -0.08 0.00 0.03 0.00 0.00 46.19 44.23 1ls8 s LEU 25 CO 0.79 0.19 0.98 0.42 0.23 0.00 0.00 176.35 178.96 1ls8 s THR 26 N -1.18 4.53 -1.38 5.49 -4.23 -1.26 -4.73 115.64 112.88 1ls8 s THR 26 Ca 0.21 1.22 0.11 0.00 -1.18 0.00 0.00 61.69 62.04 1ls8 s THR 26 Cb -0.11 -3.71 0.17 0.00 1.34 0.00 0.00 72.50 70.19 1ls8 s THR 26 CO 0.13 -0.67 1.25 -0.67 -0.54 0.00 0.00 174.62 174.12 1ls8 n ASP 27 N -1.52 0.00 0.29 3.99 2.03 -1.26 -2.84 116.55 117.23 1ls8 n ASP 27 Ca 0.06 0.18 0.17 0.00 0.52 0.00 0.00 54.79 55.73 1ls8 n ASP 27 Cb 0.54 -0.31 0.82 0.00 -0.72 0.00 0.00 41.12 41.44 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 2.49 1.05 -0.78 -1.67 0.00 -2.00 0.14 119.26 118.50 1ls8 h ALA 28 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ls8 h ALA 28 Cb 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1ls8 h ALA 28 CO 0.00 0.05 0.30 -0.84 0.00 0.00 0.00 179.25 178.75 1ls8 h ILE 29 N 0.00 1.26 -0.50 0.00 3.07 -1.93 -1.33 117.51 118.08 1ls8 h ILE 29 Ca -0.00 -0.84 -0.07 0.00 1.55 0.00 0.00 64.86 65.50 1ls8 h ILE 29 Cb 0.37 0.35 -0.02 0.00 -0.27 0.00 0.00 36.82 37.25 1ls8 h ILE 29 CO 0.01 0.34 0.04 -1.13 -1.05 0.00 0.00 178.15 176.35 1ls8 h ASN 30 N 1.14 0.76 -0.30 2.16 -0.73 -0.97 0.21 115.58 117.85 1ls8 h ASN 30 Ca 0.26 -0.17 -0.01 0.00 1.87 0.00 0.00 56.30 58.24 1ls8 h ASN 30 Cb 0.24 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 1ls8 h ASN 30 CO -0.02 0.81 0.13 -0.08 -0.37 0.00 0.00 177.43 177.90 1ls8 h GLU 31 N 0.76 0.44 -0.17 6.67 4.57 -1.43 -3.01 114.58 122.41 1ls8 h GLU 31 Ca 0.15 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1ls8 h GLU 31 Cb 0.40 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1ls8 h GLU 31 CO 0.01 0.43 -0.11 -0.44 -1.18 0.00 0.00 179.01 177.72 1ls8 h ASP 32 N 0.34 0.25 -0.87 1.04 5.19 -0.03 -3.09 116.42 119.25 1ls8 h ASP 32 Ca 0.10 -0.05 0.05 0.00 -0.62 0.00 0.00 57.03 56.51 1ls8 h ASP 32 Cb 0.15 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.54 1ls8 h ASP 32 CO -0.01 0.39 0.55 -0.26 -3.12 0.00 0.00 179.24 176.79 1ls8 h PHE 33 N 0.25 1.02 -0.02 4.55 -1.00 -0.49 -2.55 116.94 118.70 1ls8 h PHE 33 Ca 0.05 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1ls8 h PHE 33 Cb 0.36 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 39.59 1ls8 h PHE 33 CO 0.01 0.55 -0.18 2.48 -1.61 0.00 0.00 178.31 179.55 1ls8 n TYR 34 N -4.58 0.00 -3.94 -0.55 0.18 -1.23 -4.85 117.16 102.18 1ls8 n TYR 34 Ca 0.12 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.60 1ls8 n TYR 34 Cb 0.14 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.96 1ls8 n TYR 34 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 1ls8 s ASN 35 N -2.10 4.30 0.00 9.48 3.84 -0.96 -4.93 114.94 124.57 1ls8 s ASN 35 Ca 0.23 -2.95 0.00 0.00 0.21 0.00 0.00 52.86 50.35 1ls8 s ASN 35 Cb 0.18 -1.61 0.00 0.00 -0.55 0.00 0.00 41.25 39.28 1ls8 s ASN 35 CO 0.39 -0.24 0.00 0.49 -2.79 0.00 0.00 177.10 174.95 1ls8 n PHE 36 N 3.19 0.00 -2.02 0.43 3.01 -1.26 -4.71 117.46 116.09 1ls8 n PHE 36 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1ls8 n PHE 36 Cb 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 1ls8 n PHE 36 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1ls8 n TRP 37 N 0.00 -1.13 -2.54 1.38 7.02 -1.26 -4.98 117.44 115.93 1ls8 n TRP 37 Ca 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.46 1ls8 n TRP 37 Cb 0.00 0.11 -0.02 0.00 -2.42 0.00 0.00 31.31 28.98 1ls8 n TRP 37 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1ls8 n LYS 38 N -0.58 -3.07 0.18 -0.99 4.01 -1.26 -4.42 118.16 112.03 1ls8 n LYS 38 Ca 0.00 2.33 0.05 0.00 -0.51 0.00 0.00 58.31 60.18 1ls8 n LYS 38 Cb 0.00 -3.06 0.26 0.00 -0.51 0.00 0.00 35.03 31.72 1ls8 n LYS 38 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 1ls8 h GLU 39 N 4.39 0.00 0.00 1.97 4.11 -2.04 1.00 114.58 124.01 1ls8 h GLU 39 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1ls8 h GLU 39 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1ls8 h GLU 39 CO 0.00 0.00 -0.84 0.41 0.07 0.00 0.00 179.01 178.65 1ls8 n GLY 40 N -1.27 -1.09 3.54 1.06 0.00 -1.26 -4.95 105.19 101.22 1ls8 n GLY 40 Ca -0.01 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 1ls8 n GLY 40 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ls8 n TYR 41 N -1.51 1.02 -3.42 1.61 9.36 0.34 -4.89 117.16 119.67 1ls8 n TYR 41 Ca 0.04 0.10 -0.44 0.00 3.32 0.00 0.00 57.90 60.92 1ls8 n TYR 41 Cb 0.33 -2.31 -0.03 0.00 -0.63 0.00 0.00 39.34 36.70 1ls8 n TYR 41 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1ls8 s GLU 42 N 8.45 3.63 -0.39 2.98 -6.30 -1.26 -5.00 118.70 120.81 1ls8 s GLU 42 Ca 1.07 -2.81 -0.35 0.00 -2.50 0.00 0.00 54.97 50.38 1ls8 s GLU 42 Cb -0.41 -4.33 -0.12 0.00 0.00 0.00 0.00 34.13 29.27 1ls8 s GLU 42 CO 0.28 -1.26 2.23 -0.89 0.02 0.00 0.00 175.26 175.64 1ls8 n ILE 43 N 3.31 0.15 0.01 -3.70 5.41 -1.26 -4.86 119.36 118.43 1ls8 n ILE 43 Ca 0.17 -0.26 -0.05 0.00 1.00 0.00 0.00 62.75 63.61 1ls8 n ILE 43 Cb 0.42 -1.60 -0.11 0.00 -0.71 0.00 0.00 39.64 37.64 1ls8 n ILE 43 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1ls8 h LYS 44 N 12.62 0.00 -6.08 0.38 2.10 -2.02 -3.44 116.57 120.14 1ls8 h LYS 44 Ca -0.25 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.85 1ls8 h LYS 44 Cb 1.32 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.63 1ls8 h LYS 44 CO 1.05 0.46 1.37 -0.80 -2.00 0.00 0.00 179.45 179.53 1ls8 s ASN 45 N -6.05 5.51 0.28 7.07 -0.87 -1.26 -4.83 114.94 114.79 1ls8 s ASN 45 Ca -0.03 1.17 0.11 0.00 -1.57 0.00 0.00 52.86 52.54 1ls8 s ASN 45 Cb 0.08 -2.52 0.40 0.00 -0.02 0.00 0.00 41.25 39.19 1ls8 s ASN 45 CO 0.82 -2.04 1.63 0.03 -2.57 0.00 0.00 177.10 174.97 1ls8 h ARG 46 N 14.52 0.00 -0.32 -0.60 2.47 -2.00 -3.21 114.38 125.23 1ls8 h ARG 46 Ca -0.32 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.47 1ls8 h ARG 46 Cb 1.19 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.50 1ls8 h ARG 46 CO 1.07 0.59 0.22 0.93 0.56 0.00 0.00 179.97 183.35 1ls8 h GLU 47 N 0.00 0.11 0.28 0.04 3.07 -1.99 -3.02 114.58 113.07 1ls8 h GLU 47 Ca -0.01 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1ls8 h GLU 47 Cb 1.05 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 1ls8 h GLU 47 CO 0.08 0.07 -0.30 1.15 -1.40 0.00 0.00 179.01 178.60 1ls8 h THR 48 N 0.11 0.00 -1.05 1.13 2.02 -1.94 -1.83 112.91 111.34 1ls8 h THR 48 Ca 0.15 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.62 1ls8 h THR 48 Cb 0.45 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.74 1ls8 h THR 48 CO -0.02 0.00 0.65 1.23 0.37 0.00 0.00 175.52 177.75 1ls8 h GLY 49 N -0.59 1.62 1.01 2.16 0.00 -1.74 0.18 103.07 105.72 1ls8 h GLY 49 Ca -0.04 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 1ls8 h GLY 49 CO -0.05 -0.28 -0.20 0.00 0.00 0.00 0.00 176.54 176.01 1ls8 h ALA 51 N 0.80 0.54 -0.32 0.00 0.00 -0.38 -1.57 119.26 118.33 1ls8 h ALA 51 Ca 0.08 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ls8 h ALA 51 Cb 0.76 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1ls8 h ALA 51 CO 0.06 0.33 0.00 0.82 0.00 0.00 0.00 179.25 180.46 1ls8 h ILE 52 N 0.55 0.77 -0.46 0.00 2.04 -0.52 -0.48 117.51 119.41 1ls8 h ILE 52 Ca 0.11 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 1ls8 h ILE 52 Cb 0.49 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1ls8 h ILE 52 CO 0.02 0.02 0.18 -0.03 0.00 0.00 0.00 178.15 178.34 1ls8 h MET 53 N 0.10 0.69 -0.36 2.37 4.05 -0.99 -1.69 114.93 119.10 1ls8 h MET 53 Ca 0.15 -0.13 0.07 0.00 -0.28 0.00 0.00 59.70 59.51 1ls8 h MET 53 Cb 0.20 -0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 30.83 1ls8 h MET 53 CO -0.25 0.63 -0.05 0.00 0.23 0.00 0.00 176.91 177.47 1ls8 h LEU 55 N 0.04 -0.20 -0.87 0.00 3.38 -0.90 -0.43 115.31 116.34 1ls8 h LEU 55 Ca 0.17 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1ls8 h LEU 55 Cb 0.26 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1ls8 h LEU 55 CO -0.33 -0.07 0.40 0.28 0.09 0.00 0.00 178.44 178.81 1ls8 h SER 56 N -0.02 1.11 0.62 -0.43 0.02 -0.34 0.21 113.55 114.72 1ls8 h SER 56 Ca 0.09 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1ls8 h SER 56 Cb 0.15 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1ls8 h SER 56 CO -0.19 0.93 -0.32 0.74 -1.14 0.00 0.00 176.83 176.85 1ls8 h THR 57 N 1.21 0.35 0.00 -2.27 2.02 -1.03 -0.09 112.91 113.09 1ls8 h THR 57 Ca 0.29 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.46 1ls8 h THR 57 Cb 0.12 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1ls8 h THR 57 CO -0.04 0.00 -0.07 0.50 0.37 0.00 0.00 175.52 176.29 1ls8 h LYS 58 N -0.86 0.00 -0.01 6.66 1.63 -0.42 -0.13 116.57 123.43 1ls8 h LYS 58 Ca -0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1ls8 h LYS 58 Cb 0.67 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 1ls8 h LYS 58 CO 0.12 0.07 -0.20 1.28 -3.45 0.00 0.00 179.45 177.27 1ls8 n LEU 59 N -3.79 1.19 -2.09 5.20 4.77 0.67 -4.95 117.00 117.99 1ls8 n LEU 59 Ca -0.02 -0.34 -0.18 0.00 -0.03 0.00 0.00 56.01 55.43 1ls8 n LEU 59 Cb 0.16 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1ls8 n LEU 59 CO 0.29 0.21 -0.21 0.59 -1.33 0.00 0.00 177.39 176.94 1ls8 n ASN 60 N -0.42 -5.18 0.10 -1.43 3.02 -0.06 -4.90 115.26 106.38 1ls8 n ASN 60 Ca 0.14 0.20 -0.19 0.00 -0.03 0.00 0.00 54.58 54.69 1ls8 n ASN 60 Cb 0.36 -4.44 -0.15 0.00 -0.61 0.00 0.00 39.78 34.94 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 0.34 -6.16 3.52 4.05 -1.28 -3.45 114.93 111.95 1ls8 h MET 61 Ca -0.42 -0.58 -0.58 0.00 -0.28 0.00 0.00 59.70 57.84 1ls8 h MET 61 Cb 1.28 0.22 -0.04 0.00 -0.80 0.00 0.00 31.60 32.26 1ls8 h MET 61 CO 0.53 1.25 -0.21 -0.51 0.23 0.00 0.00 176.91 178.20 1ls8 s LEU 62 N -7.21 4.34 0.85 3.39 1.43 -1.20 -2.33 118.68 117.95 1ls8 s LEU 62 Ca -0.08 0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 53.77 1ls8 s LEU 62 Cb 0.06 -3.06 0.10 0.00 0.03 0.00 0.00 46.19 43.32 1ls8 s LEU 62 CO 0.89 0.15 1.09 -1.81 0.23 0.00 0.00 176.35 176.90 1ls8 s ASP 63 N -1.77 3.95 0.05 2.29 1.11 -0.53 -4.81 116.67 116.97 1ls8 s ASP 63 Ca 0.34 1.41 0.20 0.00 0.18 0.00 0.00 52.55 54.68 1ls8 s ASP 63 Cb -0.14 -2.11 0.81 0.00 1.07 0.00 0.00 42.92 42.55 1ls8 s ASP 63 CO 0.18 -2.33 1.62 -0.81 1.18 0.00 0.00 175.17 175.01 1ls8 n PRO 64 N -3.67 0.05 0.41 8.23 -0.04 -1.26 -1.33 135.00 137.38 1ls8 n PRO 64 Ca 0.07 0.23 -0.16 0.00 -0.04 0.00 0.00 63.50 63.60 1ls8 n PRO 64 Cb 0.56 -1.58 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 1ls8 n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ls8 h GLU 65 N 0.00 -1.02 0.00 0.54 4.39 -2.05 -3.48 114.58 112.96 1ls8 h GLU 65 Ca 0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1ls8 h GLU 65 Cb 0.35 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1ls8 h GLU 65 CO 0.00 -0.68 0.00 0.41 -1.16 0.00 0.00 179.01 177.58 1ls8 n GLY 66 N -0.98 0.69 3.76 -3.84 0.00 -0.44 -5.15 105.19 99.22 1ls8 n GLY 66 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.66 3.05 -0.14 1.61 2.20 -1.26 -4.76 114.94 114.98 1ls8 s ASN 67 Ca 0.00 0.90 -0.08 0.00 -0.94 0.00 0.00 52.86 52.74 1ls8 s ASN 67 Cb 0.00 -1.41 -0.04 0.00 -2.00 0.00 0.00 41.25 37.80 1ls8 s ASN 67 CO 0.00 -2.83 0.13 -0.22 -2.94 0.00 0.00 177.10 171.24 1ls8 s LEU 68 N -6.18 4.29 -0.42 3.54 1.98 -1.26 -1.46 118.68 119.16 1ls8 s LEU 68 Ca 0.66 0.38 -0.20 0.00 -2.89 0.00 0.00 54.13 52.07 1ls8 s LEU 68 Cb -0.14 -2.06 0.02 0.00 0.66 0.00 0.00 46.19 44.67 1ls8 s LEU 68 CO 0.54 0.34 0.61 -2.28 -1.89 0.00 0.00 176.35 173.66 1ls8 s HIS 69 N -0.59 3.10 0.05 5.38 5.65 -0.98 -4.94 115.29 122.95 1ls8 s HIS 69 Ca 0.13 -0.04 -0.17 0.00 0.25 0.00 0.00 55.06 55.23 1ls8 s HIS 69 Cb -0.12 -3.24 -0.07 0.00 -1.18 0.00 0.00 32.58 27.98 1ls8 s HIS 69 CO 0.02 -0.80 1.27 0.45 -0.65 0.00 0.00 174.74 175.04 1ls8 h HIS 70 N 8.78 -0.79 -0.23 3.88 3.86 -1.92 -0.76 115.15 127.98 1ls8 h HIS 70 Ca -0.26 0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 58.80 1ls8 h HIS 70 Cb 1.10 0.34 -0.00 0.00 1.06 0.00 0.00 27.41 29.91 1ls8 h HIS 70 CO 0.72 -0.29 -0.56 0.78 0.86 0.00 0.00 177.93 179.44 1ls8 h GLY 71 N -0.33 0.79 1.04 2.45 0.00 -1.98 0.68 103.07 105.73 1ls8 h GLY 71 Ca 0.01 -0.94 -0.06 0.00 0.00 0.00 0.00 47.33 46.34 1ls8 h GLY 71 CO -0.18 0.84 0.17 -0.57 0.00 0.00 0.00 176.54 176.80 1ls8 h ASN 72 N 0.55 1.00 0.05 0.19 -1.24 -1.92 0.17 115.58 114.39 1ls8 h ASN 72 Ca 0.01 -0.23 -0.12 0.00 0.71 0.00 0.00 56.30 56.66 1ls8 h ASN 72 Cb 1.15 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.92 1ls8 h ASN 72 CO 0.12 0.97 -0.40 0.00 -1.29 0.00 0.00 177.43 176.83 1ls8 h ALA 73 N 1.07 0.94 -0.08 1.57 0.00 -1.05 -2.09 119.26 119.61 1ls8 h ALA 73 Ca 0.21 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1ls8 h ALA 73 Cb 0.36 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1ls8 h ALA 73 CO 0.00 0.63 -0.11 1.98 0.00 0.00 0.00 179.25 181.74 1ls8 h MET 74 N 0.38 -0.15 -0.23 0.00 -1.53 -0.10 -1.79 114.93 111.50 1ls8 h MET 74 Ca 0.03 0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.25 1ls8 h MET 74 Cb 0.87 0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.94 1ls8 h MET 74 CO 0.07 -0.10 -0.07 0.93 0.14 0.00 0.00 176.91 177.88 1ls8 h GLU 75 N -0.15 0.37 -0.83 0.39 5.08 -0.90 0.11 114.58 118.64 1ls8 h GLU 75 Ca 0.07 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1ls8 h GLU 75 Cb 0.25 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1ls8 h GLU 75 CO -0.18 0.45 0.54 0.35 -1.00 0.00 0.00 179.01 179.17 1ls8 h PHE 76 N 0.35 1.01 0.03 4.33 3.04 -0.74 -0.84 116.94 124.11 1ls8 h PHE 76 Ca 0.07 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.84 1ls8 h PHE 76 Cb 0.35 -0.33 0.02 0.00 2.56 0.00 0.00 35.95 38.55 1ls8 h PHE 76 CO 0.01 0.58 -0.83 0.00 -2.02 0.00 0.00 178.31 176.05 1ls8 h ALA 77 N 1.34 0.07 -0.04 2.41 0.00 -0.51 -3.17 119.26 119.37 1ls8 h ALA 77 Ca 0.33 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ls8 h ALA 77 Cb -0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ls8 h ALA 77 CO -0.11 0.50 0.05 1.57 0.00 0.00 0.00 179.25 181.26 1ls8 h LYS 78 N 0.07 0.00 -0.49 0.00 5.09 -0.65 -1.79 116.57 118.80 1ls8 h LYS 78 Ca -0.11 0.00 0.09 0.00 0.09 0.00 0.00 60.65 60.72 1ls8 h LYS 78 Cb 1.53 0.00 -0.10 0.00 0.10 0.00 0.00 32.23 33.76 1ls8 h LYS 78 CO 0.16 0.00 -0.31 -0.22 -2.09 0.00 0.00 179.45 177.00 1ls8 h LYS 79 N 0.00 -0.18 -0.32 0.07 1.63 -1.12 -0.70 116.57 115.95 1ls8 h LYS 79 Ca 0.02 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1ls8 h LYS 79 Cb 0.13 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1ls8 h LYS 79 CO -0.00 -0.12 0.00 0.72 -3.45 0.00 0.00 179.45 176.60 1ls8 n HIS 80 N -5.42 0.41 -0.52 1.91 8.25 -1.20 -4.99 115.22 113.66 1ls8 n HIS 80 Ca 0.03 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1ls8 n HIS 80 Cb 0.34 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 1.36 0.73 3.42 -1.41 0.00 -0.27 -4.93 105.19 104.10 1ls8 n GLY 81 Ca 0.17 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.83 -0.21 0.65 4.61 0.00 -0.70 -4.97 121.76 119.31 1ls8 s ALA 82 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 1ls8 s ALA 82 Cb 0.00 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1ls8 s ALA 82 CO 0.00 -4.18 1.04 -0.51 0.00 0.00 0.00 175.76 172.12 1ls8 s ASP 83 N -3.41 5.79 0.00 0.00 1.11 -1.26 -4.88 116.67 114.02 1ls8 s ASP 83 Ca 0.70 1.57 0.27 0.00 0.18 0.00 0.00 52.55 55.27 1ls8 s ASP 83 Cb -0.12 -2.49 0.92 0.00 1.07 0.00 0.00 42.92 42.29 1ls8 s ASP 83 CO 0.57 -1.16 1.69 -1.84 1.18 0.00 0.00 175.17 175.61 1ls8 n GLU 84 N -2.77 0.19 -0.13 8.23 0.28 -1.26 -2.46 120.64 122.71 1ls8 n GLU 84 Ca 0.07 -0.08 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 1ls8 n GLU 84 Cb 0.54 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.80 1ls8 n GLU 84 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1ls8 n THR 85 N -1.34 1.53 -0.06 3.84 -1.04 -1.26 -4.56 114.28 111.38 1ls8 n THR 85 Ca 0.08 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.05 61.61 1ls8 n THR 85 Cb 0.32 -1.87 -0.06 0.00 -1.82 0.00 0.00 70.33 66.90 1ls8 n THR 85 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1ls8 h MET 86 N -0.92 0.50 -0.93 -2.82 4.05 -1.95 0.14 114.93 113.00 1ls8 h MET 86 Ca -0.64 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 58.50 1ls8 h MET 86 Cb 1.60 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 32.37 1ls8 h MET 86 CO -0.37 0.87 0.58 0.00 0.23 0.00 0.00 176.91 178.22 1ls8 h ALA 87 N 0.62 1.18 0.03 0.39 0.00 -1.79 -0.42 119.26 119.27 1ls8 h ALA 87 Ca 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ls8 h ALA 87 Cb 0.80 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ls8 h ALA 87 CO 0.06 0.61 -0.01 0.37 0.00 0.00 0.00 179.25 180.27 1ls8 h GLN 88 N 1.27 -0.04 -0.89 0.00 -0.00 -1.71 -2.34 115.11 111.39 1ls8 h GLN 88 Ca 0.34 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 59.06 1ls8 h GLN 88 Cb -0.09 0.01 -0.06 0.00 0.00 0.00 0.00 27.48 27.33 1ls8 h GLN 88 CO -0.07 0.42 0.56 1.96 0.00 0.00 0.00 178.83 181.70 1ls8 h GLN 89 N -0.52 0.97 0.00 1.69 4.20 -0.58 0.09 115.11 120.97 1ls8 h GLN 89 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1ls8 h GLN 89 Cb 0.48 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1ls8 h GLN 89 CO 0.01 0.64 0.00 -0.07 -0.67 0.00 0.00 178.83 178.74 1ls8 h LEU 90 N 1.00 0.00 0.00 1.46 4.07 -0.97 0.38 115.31 121.24 1ls8 h LEU 90 Ca 0.39 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.35 1ls8 h LEU 90 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1ls8 h LEU 90 CO -0.18 0.00 -0.14 0.40 -1.08 0.00 0.00 178.44 177.44 1ls8 h ILE 91 N 0.00 0.00 0.00 1.22 2.04 -0.47 -3.32 117.51 116.97 1ls8 h ILE 91 Ca 0.00 -0.99 -0.27 0.00 1.00 0.00 0.00 64.86 64.60 1ls8 h ILE 91 Cb 0.49 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 1ls8 h ILE 91 CO 0.00 0.00 -2.00 -0.67 0.00 0.00 0.00 178.15 175.48 1ls8 n ASP 92 N -3.03 1.84 -0.18 1.72 2.03 -0.20 -4.12 116.55 114.61 1ls8 n ASP 92 Ca 0.03 -0.03 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 1ls8 n ASP 92 Cb 0.53 0.47 0.02 0.00 -0.72 0.00 0.00 41.12 41.41 1ls8 n ASP 92 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1ls8 h ILE 93 N 0.00 1.19 -0.44 5.18 2.04 -0.53 0.30 117.51 125.25 1ls8 h ILE 93 Ca -0.40 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 64.99 1ls8 h ILE 93 Cb 1.80 0.60 -0.09 0.00 -0.74 0.00 0.00 36.82 38.39 1ls8 h ILE 93 CO -0.01 0.21 -0.52 1.62 0.00 0.00 0.00 178.15 179.45 1ls8 h VAL 94 N 0.68 0.03 -0.01 1.67 3.04 -1.77 0.94 116.25 120.83 1ls8 h VAL 94 Ca 0.18 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.72 1ls8 h VAL 94 Cb 0.10 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 29.39 1ls8 h VAL 94 CO -0.02 0.00 -0.67 -0.74 -1.01 0.00 0.00 177.57 175.12 1ls8 h HIS 95 N -0.36 0.05 -0.42 3.17 -0.00 -1.59 0.40 115.15 116.39 1ls8 h HIS 95 Ca 0.10 -0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.35 1ls8 h HIS 95 Cb 0.59 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.97 1ls8 h HIS 95 CO -0.71 0.70 -0.12 0.78 -0.00 0.00 0.00 177.93 178.57 1ls8 h GLY 96 N 1.93 0.82 0.60 5.26 0.00 -0.15 -0.19 103.07 111.35 1ls8 h GLY 96 Ca -0.01 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.64 1ls8 h GLY 96 CO 0.09 0.58 -0.15 0.00 0.00 0.00 0.00 176.54 177.06 1ls8 h GLU 98 N -0.28 0.57 0.00 0.00 5.08 -0.77 0.48 114.58 119.67 1ls8 h GLU 98 Ca 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1ls8 h GLU 98 Cb 0.74 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1ls8 h GLU 98 CO 0.03 0.38 -0.07 0.87 -1.00 0.00 0.00 179.01 179.22 1ls8 h LYS 99 N 0.59 0.00 0.00 2.33 1.57 -1.06 -3.24 116.57 116.76 1ls8 h LYS 99 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1ls8 h LYS 99 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1ls8 h LYS 99 CO -0.20 0.07 -0.82 0.45 -0.57 0.00 0.00 179.45 178.38 1ls8 n SER 100 N -3.60 4.10 -4.62 0.86 2.88 -0.44 -4.94 113.62 107.86 1ls8 n SER 100 Ca -0.02 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.09 1ls8 n SER 100 Cb 0.19 0.73 -0.02 0.00 -0.75 0.00 0.00 64.21 64.36 1ls8 n SER 100 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ls8 s THR 101 N -1.68 4.38 0.95 2.46 2.01 0.16 -5.05 115.64 118.87 1ls8 s THR 101 Ca 0.00 1.41 -0.16 0.00 0.31 0.00 0.00 61.69 63.25 1ls8 s THR 101 Cb 0.00 -4.50 0.23 0.00 0.01 0.00 0.00 72.50 68.25 1ls8 s THR 101 CO 0.00 -0.74 0.92 -0.81 -0.69 0.00 0.00 174.62 173.30 1ls8 n PRO 102 N 7.32 -2.40 -2.82 4.92 -0.04 -1.26 -4.75 135.00 135.95 1ls8 n PRO 102 Ca 0.11 -1.46 -0.37 0.00 -0.04 0.00 0.00 63.50 61.74 1ls8 n PRO 102 Cb 0.48 -1.28 -0.06 0.00 -0.04 0.00 0.00 33.50 32.60 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 -3.21 3.26 0.18 0.55 0.00 -1.26 -4.95 121.76 116.33 1ls8 s ALA 103 Ca 0.58 0.49 0.08 0.00 0.00 0.00 0.00 51.96 53.11 1ls8 s ALA 103 Cb -0.05 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1ls8 s ALA 103 CO 0.44 0.20 -0.17 1.21 0.00 0.00 0.00 175.76 177.44 1ls8 s ASN 104 N -1.55 2.63 0.20 0.00 3.84 -1.26 -5.05 114.94 113.75 1ls8 s ASN 104 Ca 0.48 -0.92 0.02 0.00 0.21 0.00 0.00 52.86 52.65 1ls8 s ASN 104 Cb -0.19 -0.15 0.14 0.00 -0.55 0.00 0.00 41.25 40.49 1ls8 s ASN 104 CO 0.25 -0.09 1.48 0.44 -2.79 0.00 0.00 177.10 176.39 1ls8 h ASP 105 N 2.99 0.34 -3.34 -4.21 3.32 -2.02 -3.41 116.42 110.10 1ls8 h ASP 105 Ca -0.40 -0.22 -0.72 0.00 0.02 0.00 0.00 57.03 55.70 1ls8 h ASP 105 Cb 1.21 -0.10 -0.21 0.00 0.22 0.00 0.00 39.33 40.45 1ls8 h ASP 105 CO 0.55 0.93 -0.28 -0.62 -1.72 0.00 0.00 179.24 178.10 1ls8 s ASP 106 N -6.93 6.16 0.60 6.45 -1.08 -1.26 -4.95 116.67 115.66 1ls8 s ASP 106 Ca -0.04 -1.16 0.33 0.00 -0.52 0.00 0.00 52.55 51.16 1ls8 s ASP 106 Cb 0.11 -2.20 1.90 0.00 -1.46 0.00 0.00 42.92 41.27 1ls8 s ASP 106 CO 0.82 -0.65 2.25 0.11 0.52 0.00 0.00 175.17 178.22 1ls8 h LYS 107 N 8.77 0.00 -0.10 4.34 6.56 -1.99 -1.42 116.57 132.73 1ls8 h LYS 107 Ca -0.28 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.27 1ls8 h LYS 107 Cb 1.11 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.77 1ls8 h LYS 107 CO 0.87 0.02 -0.08 0.00 -2.06 0.00 0.00 179.45 178.19 1ls8 h ILE 109 N -0.16 1.23 0.23 0.00 5.03 -1.73 0.53 117.51 122.65 1ls8 h ILE 109 Ca 0.02 -0.64 -0.00 0.00 -0.12 0.00 0.00 64.86 64.12 1ls8 h ILE 109 Cb 0.58 0.28 -0.01 0.00 -3.03 0.00 0.00 36.82 34.65 1ls8 h ILE 109 CO 0.02 0.27 -0.16 -0.25 -0.68 0.00 0.00 178.15 177.35 1ls8 h TRP 110 N 1.04 -0.43 -0.49 1.37 7.01 -1.18 -1.86 115.95 121.41 1ls8 h TRP 110 Ca 0.26 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.20 1ls8 h TRP 110 Cb 0.09 0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 1ls8 h TRP 110 CO 0.01 -0.26 0.08 0.00 -2.79 0.00 0.00 178.44 175.49 1ls8 h THR 111 N -0.40 1.25 -0.95 2.65 1.03 -0.76 -1.73 112.91 114.00 1ls8 h THR 111 Ca -0.02 -0.91 0.26 0.00 -0.01 0.00 0.00 66.41 65.73 1ls8 h THR 111 Cb 0.34 0.90 -0.13 0.00 -1.07 0.00 0.00 68.15 68.19 1ls8 h THR 111 CO 0.00 0.32 0.48 -0.07 -0.01 0.00 0.00 175.52 176.24 1ls8 h LEU 112 N 0.68 0.43 0.76 0.00 3.38 -0.82 0.58 115.31 120.31 1ls8 h LEU 112 Ca 0.15 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 1ls8 h LEU 112 Cb 0.38 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ls8 h LEU 112 CO 0.01 -0.04 -0.47 1.23 0.09 0.00 0.00 178.44 179.26 1ls8 h GLY 113 N 0.40 -1.30 0.54 0.83 0.00 -0.45 -0.62 103.07 102.46 1ls8 h GLY 113 Ca 0.63 0.53 0.10 0.00 0.00 0.00 0.00 47.33 48.60 1ls8 h GLY 113 CO -0.56 -0.44 0.60 -2.08 0.00 0.00 0.00 176.54 174.06 1ls8 h VAL 114 N -1.16 0.95 -0.78 4.60 2.07 -1.06 -0.91 116.25 119.97 1ls8 h VAL 114 Ca -0.10 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1ls8 h VAL 114 Cb 0.93 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1ls8 h VAL 114 CO 0.10 0.18 0.37 0.00 0.02 0.00 0.00 177.57 178.24 1ls8 h ALA 115 N 1.50 1.01 0.12 1.67 0.00 0.27 0.99 119.26 124.82 1ls8 h ALA 115 Ca 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1ls8 h ALA 115 Cb 0.39 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ls8 h ALA 115 CO -0.24 0.58 -0.06 1.15 0.00 0.00 0.00 179.25 180.68 1ls8 h THR 116 N 1.10 1.02 -0.90 0.00 2.02 -0.43 -2.94 112.91 112.79 1ls8 h THR 116 Ca 0.27 -1.25 0.14 0.00 0.77 0.00 0.00 66.41 66.33 1ls8 h THR 116 Cb 0.13 1.72 -0.09 0.00 -1.74 0.00 0.00 68.15 68.17 1ls8 h THR 116 CO -0.03 0.27 0.51 0.00 0.37 0.00 0.00 175.52 176.64 1ls8 h PHE 118 N 0.75 -0.51 0.00 0.00 3.57 -0.86 -1.00 116.94 118.90 1ls8 h PHE 118 Ca 0.48 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.94 1ls8 h PHE 118 Cb 0.61 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1ls8 h PHE 118 CO -0.05 -0.28 -0.26 0.87 -2.23 0.00 0.00 178.31 176.36 1ls8 h LYS 119 N -0.33 0.00 -0.29 1.11 1.79 -1.03 -0.42 116.57 117.40 1ls8 h LYS 119 Ca 0.05 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 1ls8 h LYS 119 Cb 0.39 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1ls8 h LYS 119 CO -0.16 0.26 -0.09 0.00 -1.08 0.00 0.00 179.45 178.37 1ls8 h ALA 120 N 1.74 0.40 -0.43 3.86 0.00 -0.89 -1.10 119.26 122.84 1ls8 h ALA 120 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ls8 h ALA 120 Cb 0.56 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1ls8 h ALA 120 CO 0.03 0.24 0.24 0.93 0.00 0.00 0.00 179.25 180.70 1ls8 h GLU 121 N 0.32 0.59 0.00 0.00 4.39 -0.58 -0.21 114.58 119.09 1ls8 h GLU 121 Ca 0.07 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ls8 h GLU 121 Cb 0.59 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1ls8 h GLU 121 CO 0.03 0.46 -0.00 0.82 -1.16 0.00 0.00 179.01 179.16 1ls8 h ILE 122 N 0.56 0.56 0.12 3.13 1.08 -1.06 -0.58 117.51 121.31 1ls8 h ILE 122 Ca 0.15 -0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.61 1ls8 h ILE 122 Cb 0.03 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1ls8 h ILE 122 CO -0.03 0.00 -0.06 -0.74 -0.69 0.00 0.00 178.15 176.64 1ls8 h HIS 123 N 0.00 -0.15 -0.70 1.37 2.76 -0.09 -1.62 115.15 116.72 1ls8 h HIS 123 Ca -0.00 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 1ls8 h HIS 123 Cb 0.00 0.05 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 1ls8 h HIS 123 CO 0.00 0.25 0.46 1.57 -1.30 0.00 0.00 177.93 178.91 1ls8 h LYS 124 N -0.96 0.69 0.00 5.26 2.10 -0.79 -0.31 116.57 122.56 1ls8 h LYS 124 Ca -0.02 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1ls8 h LYS 124 Cb 0.46 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1ls8 h LYS 124 CO 0.03 0.46 0.00 1.28 -2.00 0.00 0.00 179.45 179.21 1ls8 n LEU 125 N -4.48 0.00 0.00 7.07 4.77 -0.25 -4.84 117.00 119.27 1ls8 n LEU 125 Ca 0.10 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1ls8 n LEU 125 Cb 0.23 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ls8 n LEU 125 CO 0.34 -0.15 0.00 -3.20 -1.33 0.00 0.00 177.39 173.05 1ls8 n ASN 126 N -1.24 -4.62 -1.62 -1.43 2.85 -0.13 -4.88 115.26 104.18 1ls8 n ASN 126 Ca 0.06 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.45 1ls8 n ASN 126 Cb 0.08 -2.56 0.02 0.00 1.24 0.00 0.00 39.78 38.56 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 -2.25 0.77 -2.92 1.20 8.01 -0.61 -4.48 117.44 117.16 1ls8 n TRP 127 Ca 0.00 -1.37 -0.24 0.00 -1.31 0.00 0.00 57.50 54.59 1ls8 n TRP 127 Cb 0.32 -0.67 -0.03 0.00 -2.01 0.00 0.00 31.31 28.92 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 0.76 4.04 -0.12 6.99 0.00 -1.25 -4.86 120.51 126.08 1ls8 n ALA 128 Ca 0.15 -4.26 -0.11 0.00 0.00 0.00 0.00 53.44 49.22 1ls8 n ALA 128 Cb 0.59 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 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 2.93 0.62 -6.28 0.00 0.13 -1.96 -3.47 132.00 123.96 1ls8 h PRO 129 Ca 0.13 -0.20 -0.46 0.00 -0.87 0.00 0.00 66.00 64.61 1ls8 h PRO 129 Cb 0.71 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.79 1ls8 h PRO 129 CO 0.73 0.74 -0.87 0.43 -0.23 0.00 0.00 178.00 178.80 1ls8 n SER 130 N -4.50 -1.34 -0.00 1.44 7.64 -1.26 -4.92 113.62 110.67 1ls8 n SER 130 Ca -0.02 -0.93 0.10 0.00 1.01 0.00 0.00 58.87 59.03 1ls8 n SER 130 Cb 0.28 -3.53 -0.13 0.00 -1.01 0.00 0.00 64.21 59.82 1ls8 n SER 130 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1ls8 n MET 131 N -4.30 0.54 0.00 1.43 2.81 -1.26 -4.93 117.12 111.41 1ls8 n MET 131 Ca -0.28 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.53 1ls8 n MET 131 Cb 0.67 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 1ls8 n MET 131 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1ls8 n ASP 132 N -1.80 0.00 -2.04 7.83 -0.08 -1.26 -5.16 116.55 114.04 1ls8 n ASP 132 Ca 0.00 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.21 1ls8 n ASP 132 Cb 0.41 0.22 -0.01 0.00 2.34 0.00 0.00 41.12 44.08 1ls8 n ASP 132 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1ls8 n VAL 133 N -2.09 0.00 0.00 5.18 3.14 -1.26 -4.94 118.33 118.36 1ls8 n VAL 133 Ca 0.00 -0.82 0.00 0.00 -2.96 0.00 0.00 64.34 60.56 1ls8 n VAL 133 Cb 0.00 0.57 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 1ls8 n VAL 133 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ls8 n ALA 134 N -1.74 2.16 -2.90 1.55 0.00 -1.26 -4.75 120.51 113.56 1ls8 n ALA 134 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1ls8 n ALA 134 Cb 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.24 0.14 0.00 0.00 1.01 -1.26 -4.42 120.40 114.63 1ls8 s VAL 135 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1ls8 s VAL 135 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.17 1ls8 s VAL 135 CO 0.00 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1ls8 n GLY 136 N 2.28 -1.09 3.19 4.51 0.00 -1.26 -4.92 105.19 107.91 1ls8 n GLY 136 Ca -0.18 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 1ls8 n GLY 136 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ls8 s GLU 137 N 0.00 1.01 -0.07 1.61 -1.05 -1.26 -4.99 118.70 113.94 1ls8 s GLU 137 Ca 0.00 -1.42 -0.08 0.00 -0.15 0.00 0.00 54.97 53.32 1ls8 s GLU 137 Cb 0.00 0.27 -0.03 0.00 -0.44 0.00 0.00 34.13 33.94 1ls8 s GLU 137 CO 0.00 -0.31 -0.15 -0.89 0.95 0.00 0.00 175.26 174.87 1ls8 n ILE 138 N -0.14 0.66 -2.71 1.83 5.41 -1.26 -5.10 119.36 118.05 1ls8 n ILE 138 Ca -0.05 0.33 -0.05 0.00 1.00 0.00 0.00 62.75 63.99 1ls8 n ILE 138 Cb 0.64 -1.84 -0.04 0.00 -0.71 0.00 0.00 39.64 37.69 1ls8 n ILE 138 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1ls8 n LEU 139 N -3.35 -5.87 -4.38 1.39 7.94 -1.26 -5.11 117.00 106.37 1ls8 n LEU 139 Ca -0.06 2.04 -0.21 0.00 -1.11 0.00 0.00 56.01 56.67 1ls8 n LEU 139 Cb 0.22 -2.93 -0.09 0.00 0.53 0.00 0.00 43.42 41.15 1ls8 n LEU 139 CO 0.09 -3.81 -0.19 0.00 -1.11 0.00 0.00 177.39 172.36 1ls8 s ALA 140 N -0.54 2.20 -0.01 1.96 0.00 -1.26 -5.07 121.76 119.04 1ls8 s ALA 140 Ca -0.23 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.06 1ls8 s ALA 140 Cb 0.02 1.06 0.01 0.00 0.00 0.00 0.00 23.12 24.21 1ls8 s ALA 140 CO 0.63 -0.47 0.77 -0.85 0.00 0.00 0.00 175.76 175.84 1ls8 n GLU 141 N -0.67 1.35 0.00 0.00 0.28 -1.26 -5.34 120.64 115.00 1ls8 n GLU 141 Ca -0.00 -1.04 0.11 0.00 -0.16 0.00 0.00 57.16 56.07 1ls8 n GLU 141 Cb 0.65 -0.76 0.68 0.00 1.43 0.00 0.00 31.44 33.44 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30