#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ls8 n GLN 2 N 0.00 0.00 0.17 4.33 10.64 -1.26 -4.56 117.38 126.69 1ls8 n GLN 2 Ca 0.00 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.05 1ls8 n GLN 2 Cb 0.00 -0.15 -0.07 0.00 -0.86 0.00 0.00 30.24 29.16 1ls8 n GLN 2 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1ls8 h GLU 3 N 0.00 -0.45 -0.83 2.61 4.81 -1.98 -0.79 114.58 117.95 1ls8 h GLU 3 Ca 0.00 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.42 1ls8 h GLU 3 Cb 0.00 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 29.38 1ls8 h GLU 3 CO 0.00 -0.13 0.38 0.28 -0.73 0.00 0.00 179.01 178.81 1ls8 h VAL 4 N -0.93 0.64 0.38 0.32 2.07 -1.90 0.20 116.25 117.04 1ls8 h VAL 4 Ca -0.05 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1ls8 h VAL 4 Cb 0.53 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1ls8 h VAL 4 CO 0.08 0.09 -0.18 0.24 0.02 0.00 0.00 177.57 177.82 1ls8 h MET 5 N 0.51 -0.49 -0.53 1.57 2.86 -1.86 0.12 114.93 117.11 1ls8 h MET 5 Ca 0.47 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 58.25 1ls8 h MET 5 Cb 0.74 0.11 -0.09 0.00 0.06 0.00 0.00 31.60 32.43 1ls8 h MET 5 CO -0.42 -0.28 0.00 -0.22 1.06 0.00 0.00 176.91 177.06 1ls8 h LYS 6 N -0.60 0.12 -0.53 1.72 1.63 -0.51 -3.03 116.57 115.37 1ls8 h LYS 6 Ca -0.05 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.64 1ls8 h LYS 6 Cb 0.45 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 1ls8 h LYS 6 CO 0.09 0.08 -0.05 -0.97 -3.45 0.00 0.00 179.45 175.14 1ls8 h ASN 7 N 0.12 0.92 0.06 4.20 -1.24 -0.23 -2.68 115.58 116.73 1ls8 h ASN 7 Ca 0.27 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1ls8 h ASN 7 Cb 0.41 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1ls8 h ASN 7 CO -0.44 1.01 0.00 0.18 -1.29 0.00 0.00 177.43 176.89 1ls8 n LEU 8 N -4.17 0.00 -0.22 0.34 4.77 -0.01 -3.97 117.00 113.74 1ls8 n LEU 8 Ca 0.02 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1ls8 n LEU 8 Cb 0.36 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1ls8 n LEU 8 CO 0.44 -0.14 0.20 -1.20 -1.33 0.00 0.00 177.39 175.36 1ls8 n SER 9 N -1.17 0.22 -0.18 -1.43 7.64 -1.01 -4.56 113.62 113.13 1ls8 n SER 9 Ca 0.03 -1.02 -0.02 0.00 1.01 0.00 0.00 58.87 58.87 1ls8 n SER 9 Cb 0.03 -0.11 0.05 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.21 -0.50 -1.35 -3.43 -0.00 -1.87 -2.28 115.31 106.09 1ls8 h LEU 10 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1ls8 h LEU 10 Cb 0.11 0.34 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1ls8 h LEU 10 CO 0.00 -0.18 0.00 0.59 -0.00 0.00 0.00 178.44 178.85 1ls8 n ASN 11 N -5.38 1.50 -0.37 -0.43 3.02 -1.26 -4.55 115.26 107.79 1ls8 n ASN 11 Ca 0.06 -1.28 0.31 0.00 -0.03 0.00 0.00 54.58 53.65 1ls8 n ASN 11 Cb 0.29 -0.01 0.63 0.00 -0.61 0.00 0.00 39.78 40.09 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 0.96 0.39 0.00 3.10 3.57 -1.68 -2.39 116.94 120.88 1ls8 h PHE 12 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1ls8 h PHE 12 Cb 0.24 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1ls8 h PHE 12 CO 0.01 -0.02 0.00 0.41 -2.23 0.00 0.00 178.31 176.48 1ls8 n GLY 13 N -1.60 0.17 0.06 2.40 0.00 -1.26 -4.79 105.19 100.17 1ls8 n GLY 13 Ca 0.29 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.39 1ls8 n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ls8 n LYS 14 N -0.05 0.08 0.00 1.61 4.81 -0.92 -1.56 118.16 122.13 1ls8 n LYS 14 Ca 0.00 0.38 0.12 0.00 -0.87 0.00 0.00 58.31 57.93 1ls8 n LYS 14 Cb 0.13 -1.67 0.07 0.00 0.02 0.00 0.00 35.03 33.58 1ls8 n LYS 14 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ls8 n ALA 15 N -1.62 3.20 -0.28 3.14 0.00 -1.12 -4.56 120.51 119.27 1ls8 n ALA 15 Ca 0.02 -0.64 0.16 0.00 0.00 0.00 0.00 53.44 52.99 1ls8 n ALA 15 Cb 0.16 -0.83 0.44 0.00 0.00 0.00 0.00 19.45 19.21 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 2.99 0.55 -1.75 0.00 5.85 -1.57 -1.96 115.31 119.42 1ls8 h LEU 16 Ca 0.00 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1ls8 h LEU 16 Cb 0.80 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1ls8 h LEU 16 CO 0.00 0.22 -0.11 -0.78 -0.34 0.00 0.00 178.44 177.43 1ls8 h ASP 17 N 0.55 0.01 0.27 1.25 3.58 -1.80 0.29 116.42 120.57 1ls8 h ASP 17 Ca 0.50 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.93 1ls8 h ASP 17 Cb 1.03 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1ls8 h ASP 17 CO -0.23 0.13 -0.13 -0.33 -2.88 0.00 0.00 179.24 175.79 1ls8 h GLU 18 N 0.01 -0.35 -0.47 0.28 5.08 -1.69 -2.32 114.58 115.12 1ls8 h GLU 18 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ls8 h GLU 18 Cb 0.21 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1ls8 h GLU 18 CO 0.02 -0.06 0.30 0.00 -1.00 0.00 0.00 179.01 178.26 1ls8 h LYS 20 N 0.65 0.94 0.00 0.00 1.57 -0.44 0.59 116.57 119.87 1ls8 h LYS 20 Ca 0.17 -0.37 -0.11 0.00 -1.87 0.00 0.00 60.65 58.47 1ls8 h LYS 20 Cb -0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1ls8 h LYS 20 CO -0.03 1.03 -0.54 -0.22 -0.57 0.00 0.00 179.45 179.12 1ls8 h LYS 21 N 0.82 0.00 0.15 3.15 3.11 -0.77 -0.91 116.57 122.13 1ls8 h LYS 21 Ca 0.12 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.95 1ls8 h LYS 21 Cb 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 1ls8 h LYS 21 CO 0.06 0.54 -0.07 0.93 -2.81 0.00 0.00 179.45 178.09 1ls8 h GLU 22 N 0.00 -0.20 -0.02 1.90 5.08 -0.06 -3.31 114.58 117.97 1ls8 h GLU 22 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ls8 h GLU 22 Cb 1.21 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1ls8 h GLU 22 CO 0.07 0.07 -0.09 -1.33 -1.00 0.00 0.00 179.01 176.73 1ls8 n MET 23 N -5.07 1.92 -3.56 2.33 2.81 0.13 -4.99 117.12 110.69 1ls8 n MET 23 Ca -0.09 -1.49 -0.21 0.00 -1.81 0.00 0.00 57.70 54.10 1ls8 n MET 23 Cb 0.19 -1.47 0.02 0.00 -0.71 0.00 0.00 33.22 31.25 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 0.76 -6.10 -2.13 2.03 -1.04 -0.45 -5.04 114.28 102.31 1ls8 n THR 24 Ca 0.14 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1ls8 n THR 24 Cb 0.51 -4.52 0.00 0.00 -1.82 0.00 0.00 70.33 64.50 1ls8 n THR 24 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ls8 n LEU 25 N -3.03 0.00 0.00 -4.42 4.77 -0.58 -5.05 117.00 108.70 1ls8 n LEU 25 Ca -0.15 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.56 1ls8 n LEU 25 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1ls8 n LEU 25 CO 0.62 -0.44 -0.19 0.35 -1.33 0.00 0.00 177.39 176.40 1ls8 n THR 26 N -1.20 0.00 1.19 -5.08 -2.24 -1.26 -4.89 114.28 100.79 1ls8 n THR 26 Ca 0.00 -2.15 0.13 0.00 -2.27 0.00 0.00 64.05 59.77 1ls8 n THR 26 Cb 0.00 0.54 0.47 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.37 0.49 0.20 3.42 2.03 -1.26 -4.04 116.55 116.02 1ls8 n ASP 27 Ca -0.14 -0.35 0.14 0.00 0.52 0.00 0.00 54.79 54.96 1ls8 n ASP 27 Cb 0.57 -0.02 0.65 0.00 -0.72 0.00 0.00 41.12 41.60 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 3.34 1.00 0.10 -1.67 0.00 -2.01 0.07 119.26 120.09 1ls8 h ALA 28 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1ls8 h ALA 28 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ls8 h ALA 28 CO 0.00 0.00 -1.17 -0.84 0.00 0.00 0.00 179.25 177.24 1ls8 h ILE 29 N 0.00 1.46 -0.14 0.00 3.07 -1.96 -3.23 117.51 116.72 1ls8 h ILE 29 Ca 0.00 -2.88 -0.09 0.00 1.55 0.00 0.00 64.86 63.44 1ls8 h ILE 29 Cb 0.26 2.81 -0.01 0.00 -0.27 0.00 0.00 36.82 39.61 1ls8 h ILE 29 CO 0.00 0.85 -0.30 -1.13 -1.05 0.00 0.00 178.15 176.52 1ls8 h ASN 30 N 0.12 0.27 -0.20 2.16 -1.24 -1.23 0.99 115.58 116.45 1ls8 h ASN 30 Ca -0.13 -0.09 -0.06 0.00 0.71 0.00 0.00 56.30 56.73 1ls8 h ASN 30 Cb 1.87 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.85 1ls8 h ASN 30 CO 0.20 0.57 -0.13 1.05 -1.29 0.00 0.00 177.43 177.82 1ls8 h GLU 31 N 0.24 0.43 0.00 6.67 4.11 -1.69 -3.26 114.58 121.09 1ls8 h GLU 31 Ca 0.03 -0.20 -0.02 0.00 0.07 0.00 0.00 59.36 59.24 1ls8 h GLU 31 Cb 0.65 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1ls8 h GLU 31 CO 0.05 0.75 -0.10 -0.44 0.07 0.00 0.00 179.01 179.34 1ls8 h ASP 32 N 0.12 0.00 0.00 3.06 5.19 -1.34 -1.90 116.42 121.55 1ls8 h ASP 32 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1ls8 h ASP 32 Cb 0.64 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1ls8 h ASP 32 CO 0.04 0.10 0.01 0.49 -3.12 0.00 0.00 179.24 176.76 1ls8 n PHE 33 N -3.52 0.48 -1.17 4.55 3.01 0.26 -1.80 117.46 119.26 1ls8 n PHE 33 Ca -0.02 0.25 0.01 0.00 1.01 0.00 0.00 57.45 58.70 1ls8 n PHE 33 Cb 0.24 -0.89 0.01 0.00 -0.01 0.00 0.00 39.48 38.82 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 -1.99 0.00 -3.23 1.38 4.19 -0.76 -3.06 117.16 113.69 1ls8 n TYR 34 Ca -0.01 -0.11 -0.23 0.00 3.31 0.00 0.00 57.90 60.86 1ls8 n TYR 34 Cb 0.03 -0.03 -0.07 0.00 0.49 0.00 0.00 39.34 39.76 1ls8 n TYR 34 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 1ls8 n ASN 35 N -0.14 -0.78 0.09 2.98 5.15 -0.75 -4.60 115.26 117.22 1ls8 n ASN 35 Ca 0.01 -2.56 0.10 0.00 -0.60 0.00 0.00 54.58 51.52 1ls8 n ASN 35 Cb 0.53 -0.19 0.43 0.00 -0.53 0.00 0.00 39.78 40.02 1ls8 n ASN 35 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1ls8 n PHE 36 N 2.41 0.53 -4.16 1.20 7.35 -1.25 -4.43 117.46 119.12 1ls8 n PHE 36 Ca 0.25 0.22 0.00 0.00 -0.76 0.00 0.00 57.45 57.16 1ls8 n PHE 36 Cb 0.51 -0.85 0.00 0.00 0.35 0.00 0.00 39.48 39.49 1ls8 n PHE 36 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 1ls8 n TRP 37 N -1.99 -0.74 -1.30 -5.13 7.02 -1.26 -4.80 117.44 109.24 1ls8 n TRP 37 Ca 0.02 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.21 1ls8 n TRP 37 Cb 0.19 0.16 0.14 0.00 -2.42 0.00 0.00 31.31 29.38 1ls8 n TRP 37 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1ls8 s LYS 38 N 0.00 1.15 0.61 -0.99 -2.85 -1.26 -4.85 119.74 111.55 1ls8 s LYS 38 Ca 0.00 0.63 0.29 0.00 -1.00 0.00 0.00 55.97 55.89 1ls8 s LYS 38 Cb 0.00 -1.81 1.57 0.00 -2.06 0.00 0.00 37.83 35.53 1ls8 s LYS 38 CO 0.00 -2.27 1.95 1.05 0.10 0.00 0.00 175.35 176.19 1ls8 h GLU 39 N -1.56 0.00 -0.01 1.78 4.11 -1.75 -1.26 114.58 115.91 1ls8 h GLU 39 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1ls8 h GLU 39 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1ls8 h GLU 39 CO 0.57 0.00 -0.81 0.41 0.07 0.00 0.00 179.01 179.26 1ls8 n GLY 40 N -1.40 -0.62 3.56 1.06 0.00 -1.26 -4.80 105.19 101.73 1ls8 n GLY 40 Ca 0.04 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 1ls8 n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ls8 s TYR 41 N -2.78 2.53 -1.46 1.61 6.14 -0.48 -4.88 117.35 118.04 1ls8 s TYR 41 Ca 0.11 -0.90 -0.09 0.00 0.64 0.00 0.00 57.07 56.83 1ls8 s TYR 41 Cb 0.16 -4.67 -0.08 0.00 0.42 0.00 0.00 41.96 37.79 1ls8 s TYR 41 CO 0.75 -1.90 2.97 -1.91 0.64 0.00 0.00 175.55 176.10 1ls8 n GLU 42 N 8.79 3.65 -1.12 4.97 0.00 -1.26 -4.75 120.64 130.92 1ls8 n GLU 42 Ca 0.37 -2.23 0.00 0.00 0.00 0.00 0.00 57.16 55.30 1ls8 n GLU 42 Cb 0.50 -2.71 0.00 0.00 0.00 0.00 0.00 31.44 29.22 1ls8 n GLU 42 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1ls8 n ILE 43 N 3.29 -0.47 0.39 6.31 5.41 -1.26 -4.82 119.36 128.22 1ls8 n ILE 43 Ca 0.74 0.11 0.10 0.00 1.00 0.00 0.00 62.75 64.70 1ls8 n ILE 43 Cb 0.29 -0.73 0.42 0.00 -0.71 0.00 0.00 39.64 38.91 1ls8 n ILE 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1ls8 n LYS 44 N 0.79 0.12 -3.90 0.38 0.00 -1.26 -3.81 118.16 110.49 1ls8 n LYS 44 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 58.31 58.40 1ls8 n LYS 44 Cb 0.11 -1.75 -0.12 0.00 0.00 0.00 0.00 35.03 33.27 1ls8 n LYS 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ls8 s ASN 45 N -3.79 4.72 0.00 3.14 4.22 -1.26 -4.95 114.94 117.01 1ls8 s ASN 45 Ca 0.04 -3.50 0.09 0.00 -2.14 0.00 0.00 52.86 47.36 1ls8 s ASN 45 Cb 0.09 -1.66 0.44 0.00 1.28 0.00 0.00 41.25 41.39 1ls8 s ASN 45 CO 0.32 -0.16 1.17 0.54 -2.04 0.00 0.00 177.10 176.94 1ls8 n ARG 46 N 2.47 0.11 -0.35 3.55 1.74 -1.25 -1.66 116.66 121.28 1ls8 n ARG 46 Ca 0.14 0.22 0.28 0.00 -0.77 0.00 0.00 57.85 57.72 1ls8 n ARG 46 Cb 0.34 -1.50 0.58 0.00 -1.02 0.00 0.00 32.46 30.86 1ls8 n ARG 46 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1ls8 h GLU 47 N 0.00 0.25 0.29 5.56 5.08 -1.93 -2.37 114.58 121.46 1ls8 h GLU 47 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ls8 h GLU 47 Cb 0.09 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1ls8 h GLU 47 CO 0.00 0.17 -0.45 1.15 -1.00 0.00 0.00 179.01 178.88 1ls8 h THR 48 N 0.26 0.00 0.00 1.13 2.02 -1.70 -0.92 112.91 113.70 1ls8 h THR 48 Ca 0.64 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.75 1ls8 h THR 48 Cb 1.88 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1ls8 h THR 48 CO -0.27 0.00 -0.34 1.23 0.37 0.00 0.00 175.52 176.50 1ls8 h GLY 49 N -0.78 0.00 0.94 2.16 0.00 -1.73 -0.55 103.07 103.11 1ls8 h GLY 49 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.32 1ls8 h GLY 49 CO -0.14 0.00 0.48 0.00 0.00 0.00 0.00 176.54 176.88 1ls8 h ALA 51 N 1.29 0.88 0.03 0.00 0.00 -0.29 -2.17 119.26 119.00 1ls8 h ALA 51 Ca 0.29 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1ls8 h ALA 51 Cb -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1ls8 h ALA 51 CO -0.08 0.70 -0.43 0.82 0.00 0.00 0.00 179.25 180.25 1ls8 h ILE 52 N 0.22 0.14 -0.56 0.00 2.04 -0.48 0.57 117.51 119.43 1ls8 h ILE 52 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1ls8 h ILE 52 Cb 1.04 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1ls8 h ILE 52 CO 0.09 0.00 0.35 -0.03 0.00 0.00 0.00 178.15 178.56 1ls8 h MET 53 N -0.61 0.68 -0.57 2.37 4.05 -1.28 -1.14 114.93 118.42 1ls8 h MET 53 Ca 0.04 -0.04 0.11 0.00 -0.28 0.00 0.00 59.70 59.53 1ls8 h MET 53 Cb 0.67 -0.15 -0.09 0.00 -0.80 0.00 0.00 31.60 31.23 1ls8 h MET 53 CO -0.30 0.45 0.04 0.00 0.23 0.00 0.00 176.91 177.33 1ls8 h LEU 55 N 0.16 -0.35 -1.17 0.00 3.38 -0.38 -1.52 115.31 115.43 1ls8 h LEU 55 Ca 0.30 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 1ls8 h LEU 55 Cb 0.46 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1ls8 h LEU 55 CO -0.45 -0.25 0.12 0.28 0.09 0.00 0.00 178.44 178.23 1ls8 h SER 56 N -0.40 0.65 0.50 -0.43 0.02 -0.20 0.21 113.55 113.90 1ls8 h SER 56 Ca -0.04 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1ls8 h SER 56 Cb 0.31 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1ls8 h SER 56 CO 0.06 0.64 -0.34 0.74 -1.14 0.00 0.00 176.83 176.79 1ls8 h THR 57 N 0.68 0.00 0.00 -2.27 2.02 -0.63 0.39 112.91 113.11 1ls8 h THR 57 Ca 0.16 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 1ls8 h THR 57 Cb 0.25 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1ls8 h THR 57 CO -0.00 0.00 -0.14 0.50 0.37 0.00 0.00 175.52 176.25 1ls8 h LYS 58 N -0.79 0.00 0.00 6.66 1.63 -0.48 -0.89 116.57 122.69 1ls8 h LYS 58 Ca -0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1ls8 h LYS 58 Cb 0.64 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1ls8 h LYS 58 CO 0.05 0.14 0.00 1.28 -3.45 0.00 0.00 179.45 177.47 1ls8 n LEU 59 N -3.46 0.00 -3.68 5.20 4.77 0.68 -4.93 117.00 115.58 1ls8 n LEU 59 Ca -0.01 0.46 -0.29 0.00 -0.03 0.00 0.00 56.01 56.14 1ls8 n LEU 59 Cb 0.31 -0.46 0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1ls8 n LEU 59 CO 0.30 -0.02 -0.07 0.59 -1.33 0.00 0.00 177.39 176.87 1ls8 n ASN 60 N -1.46 -5.40 -0.02 -1.43 3.02 -0.34 -4.97 115.26 104.67 1ls8 n ASN 60 Ca 0.08 -0.94 0.08 0.00 -0.03 0.00 0.00 54.58 53.77 1ls8 n ASN 60 Cb 0.31 -3.10 -0.16 0.00 -0.61 0.00 0.00 39.78 36.22 1ls8 n ASN 60 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1ls8 n MET 61 N -3.77 0.66 -3.11 3.52 0.00 0.10 -4.70 117.12 109.83 1ls8 n MET 61 Ca -0.12 -0.17 -0.19 0.00 -0.00 0.00 0.00 57.70 57.22 1ls8 n MET 61 Cb 0.59 -1.53 0.04 0.00 0.00 0.00 0.00 33.22 32.32 1ls8 n MET 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1ls8 s LEU 62 N -4.67 3.26 0.82 -0.89 1.43 -1.24 -2.64 118.68 114.76 1ls8 s LEU 62 Ca -0.08 -0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 52.16 1ls8 s LEU 62 Cb 0.13 -1.94 0.09 0.00 0.03 0.00 0.00 46.19 44.49 1ls8 s LEU 62 CO 0.90 -1.11 1.13 -1.81 0.23 0.00 0.00 176.35 175.69 1ls8 s ASP 63 N -4.52 4.33 0.61 2.29 1.01 -0.29 -4.60 116.67 115.51 1ls8 s ASP 63 Ca 0.57 1.01 0.37 0.00 0.71 0.00 0.00 52.55 55.21 1ls8 s ASP 63 Cb -0.07 -1.63 2.00 0.00 1.01 0.00 0.00 42.92 44.22 1ls8 s ASP 63 CO 0.35 -2.04 2.25 -0.65 0.21 0.00 0.00 175.17 175.30 1ls8 h PRO 64 N -1.14 0.00 0.00 8.23 0.11 -2.00 -1.07 132.00 136.12 1ls8 h PRO 64 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ls8 h PRO 64 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ls8 h PRO 64 CO 0.63 0.02 0.00 0.93 -0.21 0.00 0.00 178.00 179.37 1ls8 h GLU 65 N 0.00 0.00 -0.01 1.05 4.39 -2.04 -3.47 114.58 114.50 1ls8 h GLU 65 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ls8 h GLU 65 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1ls8 h GLU 65 CO 0.00 0.00 -0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1ls8 n GLY 66 N 0.87 0.47 3.72 -3.84 0.00 -0.41 -5.05 105.19 100.95 1ls8 n GLY 66 Ca 0.04 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.11 3.80 0.01 1.61 0.01 -1.26 -4.78 114.94 112.22 1ls8 s ASN 67 Ca 0.00 2.07 -0.30 0.00 -0.71 0.00 0.00 52.86 53.91 1ls8 s ASN 67 Cb 0.00 -2.55 -0.06 0.00 0.41 0.00 0.00 41.25 39.05 1ls8 s ASN 67 CO 0.00 -2.52 1.43 -0.22 -1.51 0.00 0.00 177.10 174.29 1ls8 s LEU 68 N -6.06 4.32 -0.23 0.60 1.98 -1.26 -1.14 118.68 116.90 1ls8 s LEU 68 Ca 0.66 2.17 -0.18 0.00 -2.89 0.00 0.00 54.13 53.88 1ls8 s LEU 68 Cb -0.21 -3.56 -0.03 0.00 0.66 0.00 0.00 46.19 43.05 1ls8 s LEU 68 CO 0.55 -0.74 0.52 -2.28 -1.89 0.00 0.00 176.35 172.51 1ls8 s HIS 69 N 2.39 3.33 0.00 5.38 5.65 -1.08 -4.81 115.29 126.14 1ls8 s HIS 69 Ca 0.65 0.72 0.00 0.00 0.25 0.00 0.00 55.06 56.69 1ls8 s HIS 69 Cb -0.33 -2.70 0.00 0.00 -1.18 0.00 0.00 32.58 28.37 1ls8 s HIS 69 CO 0.27 -0.18 0.59 0.72 -0.65 0.00 0.00 174.74 175.48 1ls8 n HIS 70 N 5.14 0.00 0.19 3.88 8.25 -1.26 -1.05 115.22 130.37 1ls8 n HIS 70 Ca -0.04 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.46 1ls8 n HIS 70 Cb 0.50 -0.09 0.46 0.00 1.12 0.00 0.00 29.99 31.99 1ls8 n HIS 70 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ls8 h GLY 71 N 0.00 0.06 0.83 -1.41 0.00 -1.96 -0.16 103.07 100.43 1ls8 h GLY 71 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 1ls8 h GLY 71 CO 0.00 0.04 -0.16 -0.57 0.00 0.00 0.00 176.54 175.85 1ls8 h ASN 72 N 0.06 0.51 -0.59 0.19 -1.24 -1.83 -1.12 115.58 111.56 1ls8 h ASN 72 Ca 0.01 -0.45 -0.10 0.00 0.71 0.00 0.00 56.30 56.47 1ls8 h ASN 72 Cb 0.36 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1ls8 h ASN 72 CO 0.03 0.85 -0.03 0.00 -1.29 0.00 0.00 177.43 176.98 1ls8 h ALA 73 N 0.68 0.80 0.00 1.57 0.00 -0.89 -3.08 119.26 118.34 1ls8 h ALA 73 Ca 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ls8 h ALA 73 Cb 0.68 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ls8 h ALA 73 CO 0.04 0.66 -0.04 1.98 0.00 0.00 0.00 179.25 181.89 1ls8 h MET 74 N 0.96 0.00 0.00 0.00 1.85 -0.76 -0.44 114.93 116.54 1ls8 h MET 74 Ca 0.16 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.25 1ls8 h MET 74 Cb 0.59 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.62 1ls8 h MET 74 CO 0.04 0.04 -0.44 0.93 -0.40 0.00 0.00 176.91 177.07 1ls8 h GLU 75 N 0.00 0.00 0.07 0.39 4.39 -1.15 -2.32 114.58 115.96 1ls8 h GLU 75 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ls8 h GLU 75 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1ls8 h GLU 75 CO 0.01 0.00 -0.03 0.35 -1.16 0.00 0.00 179.01 178.17 1ls8 h PHE 76 N 0.00 -0.09 -0.33 4.33 3.04 -1.05 -3.34 116.94 119.51 1ls8 h PHE 76 Ca 0.00 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1ls8 h PHE 76 Cb 0.93 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.45 1ls8 h PHE 76 CO 0.00 0.29 0.05 0.00 -2.02 0.00 0.00 178.31 176.63 1ls8 h ALA 77 N 0.41 1.48 0.00 2.41 0.00 -1.16 -2.53 119.26 119.86 1ls8 h ALA 77 Ca -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1ls8 h ALA 77 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ls8 h ALA 77 CO 0.02 0.38 -0.19 1.57 0.00 0.00 0.00 179.25 181.03 1ls8 h LYS 78 N 0.47 0.00 -0.01 0.00 2.10 -1.54 -2.85 116.57 114.74 1ls8 h LYS 78 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1ls8 h LYS 78 Cb 0.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1ls8 h LYS 78 CO 0.00 0.19 0.11 -0.22 -2.00 0.00 0.00 179.45 177.53 1ls8 h LYS 79 N 0.00 0.00 0.00 0.07 3.11 -1.59 0.31 116.57 118.47 1ls8 h LYS 79 Ca -0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1ls8 h LYS 79 Cb 0.58 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.77 1ls8 h LYS 79 CO 0.02 0.00 -0.37 1.58 -2.81 0.00 0.00 179.45 177.87 1ls8 n HIS 80 N -3.12 0.00 -2.07 1.91 -0.00 -1.23 -5.05 115.22 105.66 1ls8 n HIS 80 Ca -0.02 -0.48 -0.04 0.00 0.46 0.00 0.00 57.72 57.64 1ls8 n HIS 80 Cb 0.18 -0.11 0.02 0.00 -0.12 0.00 0.00 29.99 29.96 1ls8 n HIS 80 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ls8 n GLY 81 N -0.52 -0.02 3.70 1.57 0.00 0.10 -4.88 105.19 105.13 1ls8 n GLY 81 Ca 0.07 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.09 1.12 0.69 4.61 0.00 -1.08 -4.97 121.76 119.03 1ls8 s ALA 82 Ca 0.11 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 1ls8 s ALA 82 Cb -0.01 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1ls8 s ALA 82 CO 0.25 -3.05 1.07 -0.51 0.00 0.00 0.00 175.76 173.51 1ls8 s ASP 83 N -4.00 5.58 0.14 0.00 1.01 -1.26 -4.94 116.67 113.21 1ls8 s ASP 83 Ca 0.69 1.34 0.22 0.00 0.71 0.00 0.00 52.55 55.52 1ls8 s ASP 83 Cb -0.11 -2.24 0.88 0.00 1.01 0.00 0.00 42.92 42.46 1ls8 s ASP 83 CO 0.55 -1.28 1.68 -1.84 0.21 0.00 0.00 175.17 174.49 1ls8 n GLU 84 N -3.00 0.12 -0.06 8.23 0.28 -1.26 -2.59 120.64 122.36 1ls8 n GLU 84 Ca 0.07 0.28 -0.10 0.00 -0.16 0.00 0.00 57.16 57.25 1ls8 n GLU 84 Cb 0.55 -1.70 -0.06 0.00 1.43 0.00 0.00 31.44 31.66 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 -1.93 0.73 -0.07 3.84 -1.04 -1.26 -4.08 114.28 110.47 1ls8 n THR 85 Ca 0.04 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.05 61.68 1ls8 n THR 85 Cb 0.26 -1.16 -0.05 0.00 -1.82 0.00 0.00 70.33 67.56 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 -0.14 0.38 -0.34 -2.82 4.05 -1.95 0.22 114.93 114.33 1ls8 h MET 86 Ca -0.30 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.00 1ls8 h MET 86 Cb 1.40 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.14 1ls8 h MET 86 CO -0.09 0.54 0.16 0.00 0.23 0.00 0.00 176.91 177.75 1ls8 h ALA 87 N 0.82 0.43 -0.28 0.39 0.00 -1.77 -2.25 119.26 116.61 1ls8 h ALA 87 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ls8 h ALA 87 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ls8 h ALA 87 CO 0.01 -0.00 0.15 0.37 0.00 0.00 0.00 179.25 179.78 1ls8 h GLN 88 N 0.41 0.40 -0.28 0.00 5.75 -1.65 -2.77 115.11 116.95 1ls8 h GLN 88 Ca 0.12 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1ls8 h GLN 88 Cb 0.12 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1ls8 h GLN 88 CO -0.01 0.35 0.15 1.96 -2.65 0.00 0.00 178.83 178.62 1ls8 h GLN 89 N 0.34 0.40 0.00 1.69 1.08 -0.50 0.54 115.11 118.66 1ls8 h GLN 89 Ca 0.10 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1ls8 h GLN 89 Cb 0.07 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1ls8 h GLN 89 CO -0.02 0.37 0.00 1.28 -0.95 0.00 0.00 178.83 179.51 1ls8 n LEU 90 N -4.81 0.49 -0.05 1.46 4.32 -0.85 -0.14 117.00 117.42 1ls8 n LEU 90 Ca -0.02 0.64 -0.00 0.00 -0.02 0.00 0.00 56.01 56.61 1ls8 n LEU 90 Cb 0.09 -0.60 -0.00 0.00 -1.62 0.00 0.00 43.42 41.29 1ls8 n LEU 90 CO 0.35 -0.56 -0.02 0.40 -1.22 0.00 0.00 177.39 176.34 1ls8 h ILE 91 N 0.00 0.00 -0.59 -0.08 2.04 -1.15 -3.38 117.51 114.35 1ls8 h ILE 91 Ca 0.00 -0.89 0.11 0.00 1.00 0.00 0.00 64.86 65.08 1ls8 h ILE 91 Cb 0.27 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.27 1ls8 h ILE 91 CO 0.00 0.00 0.15 -0.78 0.00 0.00 0.00 178.15 177.52 1ls8 h ASP 92 N -0.89 0.06 -0.32 1.72 3.58 0.15 0.32 116.42 121.04 1ls8 h ASP 92 Ca 0.00 0.10 0.06 0.00 0.42 0.00 0.00 57.03 57.61 1ls8 h ASP 92 Cb 0.03 0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 1ls8 h ASP 92 CO 0.00 0.04 -0.00 0.40 -2.88 0.00 0.00 179.24 176.80 1ls8 h ILE 93 N 0.29 0.76 -0.39 2.25 2.04 -0.79 -1.92 117.51 119.75 1ls8 h ILE 93 Ca 0.31 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 66.12 1ls8 h ILE 93 Cb 0.43 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1ls8 h ILE 93 CO -0.37 0.02 0.17 0.58 0.00 0.00 0.00 178.15 178.54 1ls8 h VAL 94 N 0.09 1.19 -0.76 1.67 2.07 -1.14 0.20 116.25 119.57 1ls8 h VAL 94 Ca 0.15 -0.57 0.13 0.00 0.82 0.00 0.00 66.70 67.23 1ls8 h VAL 94 Cb 0.21 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 1ls8 h VAL 94 CO -0.26 0.21 0.34 -0.74 0.02 0.00 0.00 177.57 177.13 1ls8 h HIS 95 N 0.49 0.58 -0.37 1.57 -0.00 -1.15 0.27 115.15 116.55 1ls8 h HIS 95 Ca 0.13 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.39 1ls8 h HIS 95 Cb 0.17 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 1ls8 h HIS 95 CO -0.00 0.12 -0.35 0.78 -0.00 0.00 0.00 177.93 178.47 1ls8 h GLY 96 N 0.51 0.97 0.98 5.26 0.00 -0.60 -1.68 103.07 108.50 1ls8 h GLY 96 Ca 0.41 -0.98 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 1ls8 h GLY 96 CO -0.37 0.89 -0.06 0.00 0.00 0.00 0.00 176.54 177.01 1ls8 h GLU 98 N 0.59 0.00 0.20 0.00 5.08 -0.44 0.23 114.58 120.25 1ls8 h GLU 98 Ca 0.11 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.16 1ls8 h GLU 98 Cb 0.57 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.84 1ls8 h GLU 98 CO 0.03 0.09 -1.43 -0.22 -1.00 0.00 0.00 179.01 176.48 1ls8 h LYS 99 N 0.00 0.43 0.14 2.33 3.64 -1.09 -3.38 116.57 118.64 1ls8 h LYS 99 Ca -0.00 -0.74 -0.30 0.00 -1.27 0.00 0.00 60.65 58.35 1ls8 h LYS 99 Cb 0.22 0.27 0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1ls8 h LYS 99 CO 0.01 1.35 -1.26 1.03 -2.27 0.00 0.00 179.45 178.31 1ls8 h SER 100 N -0.01 0.75 -3.18 4.20 0.87 -0.70 -3.40 113.55 112.09 1ls8 h SER 100 Ca -0.27 -0.73 -0.56 0.00 -1.23 0.00 0.00 61.79 59.01 1ls8 h SER 100 Cb 2.02 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 63.68 1ls8 h SER 100 CO 0.21 1.54 1.08 -0.89 -0.53 0.00 0.00 176.83 178.24 1ls8 s THR 101 N -2.88 3.87 0.76 2.23 2.01 0.77 -5.04 115.64 117.36 1ls8 s THR 101 Ca -0.08 0.86 -0.13 0.00 0.31 0.00 0.00 61.69 62.65 1ls8 s THR 101 Cb 0.06 -4.25 0.18 0.00 0.01 0.00 0.00 72.50 68.50 1ls8 s THR 101 CO 0.92 -0.85 0.79 -0.81 -0.69 0.00 0.00 174.62 173.98 1ls8 n PRO 102 N 8.21 -1.86 -0.86 4.92 -0.04 -1.26 -4.69 135.00 139.43 1ls8 n PRO 102 Ca 0.16 -1.24 -0.30 0.00 -0.04 0.00 0.00 63.50 62.08 1ls8 n PRO 102 Cb 0.48 -1.03 0.18 0.00 -0.04 0.00 0.00 33.50 33.10 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 -3.37 0.88 0.39 0.55 0.00 -1.26 -4.93 121.76 114.02 1ls8 s ALA 103 Ca 0.48 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.58 1ls8 s ALA 103 Cb -0.03 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1ls8 s ALA 103 CO 0.36 -2.94 0.09 1.21 0.00 0.00 0.00 175.76 174.48 1ls8 s ASN 104 N -2.93 2.77 0.00 0.00 2.47 -1.26 -5.02 114.94 110.97 1ls8 s ASN 104 Ca 0.66 -1.56 0.23 0.00 0.42 0.00 0.00 52.86 52.61 1ls8 s ASN 104 Cb -0.21 0.28 1.06 0.00 -1.45 0.00 0.00 41.25 40.93 1ls8 s ASN 104 CO 0.60 -0.80 1.73 -0.67 -3.72 0.00 0.00 177.10 174.24 1ls8 n ASP 105 N -1.06 0.00 -3.68 -4.21 2.03 -1.26 -4.70 116.55 103.67 1ls8 n ASP 105 Ca -0.06 0.19 -0.26 0.00 0.52 0.00 0.00 54.79 55.18 1ls8 n ASP 105 Cb 0.66 -0.38 -0.17 0.00 -0.72 0.00 0.00 41.12 40.51 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 -2.75 2.47 0.60 1.67 -1.08 -1.26 -5.02 116.67 111.30 1ls8 s ASP 106 Ca 0.17 -0.63 0.31 0.00 -0.52 0.00 0.00 52.55 51.88 1ls8 s ASP 106 Cb 0.15 -0.40 1.78 0.00 -1.46 0.00 0.00 42.92 42.99 1ls8 s ASP 106 CO 0.37 -0.32 2.15 0.11 0.52 0.00 0.00 175.17 178.01 1ls8 h LYS 107 N 8.34 0.00 0.36 4.34 1.79 -1.99 0.08 116.57 129.50 1ls8 h LYS 107 Ca -0.16 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 1ls8 h LYS 107 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1ls8 h LYS 107 CO 0.30 0.00 -0.17 0.00 -1.08 0.00 0.00 179.45 178.50 1ls8 h ILE 109 N -0.76 1.17 -0.17 0.00 5.03 -1.57 -0.77 117.51 120.43 1ls8 h ILE 109 Ca -0.05 -0.35 0.00 0.00 -0.12 0.00 0.00 64.86 64.34 1ls8 h ILE 109 Cb 0.51 0.05 -0.01 0.00 -3.03 0.00 0.00 36.82 34.34 1ls8 h ILE 109 CO 0.08 0.19 0.11 -0.25 -0.68 0.00 0.00 178.15 177.60 1ls8 h TRP 110 N 1.03 0.21 -0.03 1.37 7.01 -0.97 -0.30 115.95 124.26 1ls8 h TRP 110 Ca 0.30 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.32 1ls8 h TRP 110 Cb -0.07 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 1ls8 h TRP 110 CO -0.02 0.13 -0.10 1.15 -2.79 0.00 0.00 178.44 176.81 1ls8 h THR 111 N 0.22 0.74 -0.90 2.65 2.02 -0.71 -2.60 112.91 114.34 1ls8 h THR 111 Ca 0.06 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.35 1ls8 h THR 111 Cb -0.02 0.74 -0.08 0.00 -1.74 0.00 0.00 68.15 67.05 1ls8 h THR 111 CO -0.02 0.00 0.54 -0.07 0.37 0.00 0.00 175.52 176.34 1ls8 h LEU 112 N -0.16 0.78 -0.31 2.58 3.38 -0.78 0.38 115.31 121.18 1ls8 h LEU 112 Ca 0.05 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1ls8 h LEU 112 Cb 0.22 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1ls8 h LEU 112 CO -0.12 0.43 -0.13 1.23 0.09 0.00 0.00 178.44 179.94 1ls8 h GLY 113 N 0.88 0.14 0.91 0.83 0.00 -0.66 0.33 103.07 105.51 1ls8 h GLY 113 Ca 0.44 0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.88 1ls8 h GLY 113 CO -0.26 -0.15 0.02 -2.08 0.00 0.00 0.00 176.54 174.07 1ls8 h VAL 114 N -0.07 1.25 -0.54 4.60 2.07 -1.29 -2.55 116.25 119.72 1ls8 h VAL 114 Ca 0.16 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1ls8 h VAL 114 Cb 0.31 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1ls8 h VAL 114 CO -0.36 0.31 0.08 0.00 0.02 0.00 0.00 177.57 177.61 1ls8 h ALA 115 N 0.87 1.13 0.06 1.67 0.00 0.52 0.54 119.26 124.05 1ls8 h ALA 115 Ca 0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1ls8 h ALA 115 Cb 0.42 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ls8 h ALA 115 CO 0.01 0.57 -0.36 1.15 0.00 0.00 0.00 179.25 180.62 1ls8 h THR 116 N 0.81 1.66 -0.91 0.00 2.02 -1.01 -3.24 112.91 112.23 1ls8 h THR 116 Ca 0.17 -2.38 0.15 0.00 0.77 0.00 0.00 66.41 65.12 1ls8 h THR 116 Cb 0.37 3.25 -0.10 0.00 -1.74 0.00 0.00 68.15 69.94 1ls8 h THR 116 CO 0.01 0.65 0.51 0.00 0.37 0.00 0.00 175.52 177.06 1ls8 h PHE 118 N 0.72 -0.22 -0.10 0.00 3.04 -0.98 -1.57 116.94 117.83 1ls8 h PHE 118 Ca 0.50 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 62.35 1ls8 h PHE 118 Cb 0.68 0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 1ls8 h PHE 118 CO -0.06 -0.17 -0.51 0.87 -2.02 0.00 0.00 178.31 176.42 1ls8 h LYS 119 N -0.01 0.28 -0.20 1.11 1.57 -1.19 -3.08 116.57 115.05 1ls8 h LYS 119 Ca 0.18 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1ls8 h LYS 119 Cb 0.28 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1ls8 h LYS 119 CO -0.39 0.73 0.01 0.00 -0.57 0.00 0.00 179.45 179.23 1ls8 h ALA 120 N 1.24 0.26 -0.84 3.86 0.00 -1.05 -2.93 119.26 119.81 1ls8 h ALA 120 Ca 0.01 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ls8 h ALA 120 Cb 0.98 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1ls8 h ALA 120 CO 0.08 -0.03 0.52 0.93 0.00 0.00 0.00 179.25 180.75 1ls8 h GLU 121 N 0.11 0.92 -0.20 0.00 4.39 -1.27 -1.12 114.58 117.41 1ls8 h GLU 121 Ca 0.06 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1ls8 h GLU 121 Cb 0.37 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1ls8 h GLU 121 CO 0.01 0.61 0.17 0.82 -1.16 0.00 0.00 179.01 179.46 1ls8 h ILE 122 N 0.95 0.70 -0.01 3.13 5.03 -1.42 0.13 117.51 126.02 1ls8 h ILE 122 Ca 0.37 0.00 -0.11 0.00 -0.12 0.00 0.00 64.86 65.00 1ls8 h ILE 122 Cb 0.17 0.87 0.01 0.00 -3.03 0.00 0.00 36.82 34.85 1ls8 h ILE 122 CO -0.17 0.00 -0.42 -0.74 -0.68 0.00 0.00 178.15 176.13 1ls8 h HIS 123 N 0.00 0.45 -0.20 1.37 -0.00 -1.20 0.19 115.15 115.76 1ls8 h HIS 123 Ca 0.10 -0.24 -0.08 0.00 -0.00 0.00 0.00 60.37 60.15 1ls8 h HIS 123 Cb 0.43 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.78 1ls8 h HIS 123 CO 0.00 1.04 -0.22 0.87 -0.00 0.00 0.00 177.93 179.62 1ls8 h LYS 124 N -0.26 0.35 0.00 5.26 1.57 -0.84 0.20 116.57 122.85 1ls8 h LYS 124 Ca -0.05 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1ls8 h LYS 124 Cb 1.14 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1ls8 h LYS 124 CO 0.08 0.56 0.00 -0.07 -0.57 0.00 0.00 179.45 179.45 1ls8 h LEU 125 N 0.32 0.00 0.44 2.94 3.38 -0.83 -3.47 115.31 118.09 1ls8 h LEU 125 Ca 0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 1ls8 h LEU 125 Cb 0.57 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1ls8 h LEU 125 CO 0.04 0.00 -0.17 -3.20 0.09 0.00 0.00 178.44 175.20 1ls8 n ASN 126 N -2.30 -4.51 -1.78 -0.43 5.15 0.06 -4.93 115.26 106.52 1ls8 n ASN 126 Ca 0.02 0.23 -0.15 0.00 -0.60 0.00 0.00 54.58 54.08 1ls8 n ASN 126 Cb 0.23 -2.82 0.06 0.00 -0.53 0.00 0.00 39.78 36.71 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 -2.60 1.51 -2.80 1.20 8.01 0.58 -4.18 117.44 119.16 1ls8 n TRP 127 Ca -0.09 -1.67 -0.10 0.00 -1.31 0.00 0.00 57.50 54.32 1ls8 n TRP 127 Cb 0.37 -0.82 0.06 0.00 -2.01 0.00 0.00 31.31 28.91 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 0.12 -0.47 -1.13 6.99 0.00 -1.25 -4.91 120.51 119.87 1ls8 n ALA 128 Ca 0.29 -1.74 -0.34 0.00 0.00 0.00 0.00 53.44 51.66 1ls8 n ALA 128 Cb 0.75 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 1ls8 n ALA 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ls8 n PRO 129 N 0.59 2.52 -3.93 0.00 -0.04 -1.26 -4.56 135.00 128.32 1ls8 n PRO 129 Ca 0.09 -1.92 -0.25 0.00 -0.04 0.00 0.00 63.50 61.38 1ls8 n PRO 129 Cb 0.68 -2.77 -0.02 0.00 -0.04 0.00 0.00 33.50 31.35 1ls8 n PRO 129 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ls8 n SER 130 N 5.01 -0.40 0.00 3.54 2.88 -1.26 -4.92 113.62 118.48 1ls8 n SER 130 Ca 0.56 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.10 1ls8 n SER 130 Cb 0.25 -3.12 0.00 0.00 -0.75 0.00 0.00 64.21 60.60 1ls8 n SER 130 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1ls8 n MET 131 N -4.39 0.00 -3.96 -1.46 2.81 -1.26 -5.17 117.12 103.69 1ls8 n MET 131 Ca -0.31 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.48 1ls8 n MET 131 Cb 0.69 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 33.13 1ls8 n MET 131 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1ls8 s ASP 132 N 0.79 0.04 0.29 7.83 -4.77 -1.26 -5.00 116.67 114.59 1ls8 s ASP 132 Ca 0.00 -0.87 0.07 0.00 -3.30 0.00 0.00 52.55 48.45 1ls8 s ASP 132 Cb 0.00 0.44 -0.03 0.00 -1.09 0.00 0.00 42.92 42.24 1ls8 s ASP 132 CO 0.00 -0.90 0.25 1.33 0.70 0.00 0.00 175.17 176.55 1ls8 n VAL 133 N -0.22 0.00 -1.70 2.11 0.24 -1.23 -4.86 118.33 112.68 1ls8 n VAL 133 Ca -0.07 -2.13 -0.34 0.00 -2.04 0.00 0.00 64.34 59.76 1ls8 n VAL 133 Cb 0.63 1.06 -0.04 0.00 -1.47 0.00 0.00 33.84 34.03 1ls8 n VAL 133 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ls8 s ALA 134 N -3.18 1.64 -0.20 2.33 0.00 -1.26 -4.04 121.76 117.05 1ls8 s ALA 134 Ca 0.35 -0.31 -0.17 0.00 0.00 0.00 0.00 51.96 51.83 1ls8 s ALA 134 Cb 0.02 -4.38 0.03 0.00 0.00 0.00 0.00 23.12 18.79 1ls8 s ALA 134 CO 0.25 -4.53 0.29 0.28 0.00 0.00 0.00 175.76 172.05 1ls8 n VAL 135 N 7.90 -2.48 -0.41 0.00 0.31 -1.26 -4.97 118.33 117.42 1ls8 n VAL 135 Ca 0.34 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.90 1ls8 n VAL 135 Cb 0.53 -2.74 0.00 0.00 -0.91 0.00 0.00 33.84 30.72 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 0.48 -2.03 0.00 2.92 0.00 -1.17 -4.76 105.19 100.63 1ls8 n GLY 136 Ca -0.04 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.49 0.00 0.01 1.61 0.28 -1.26 -3.52 120.64 117.27 1ls8 n GLU 137 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ls8 n GLU 137 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 0.01 -4.26 3.84 5.41 -1.26 -4.97 119.36 118.12 1ls8 n ILE 138 Ca 0.00 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.43 1ls8 n ILE 138 Cb 0.00 -0.59 -0.07 0.00 -0.71 0.00 0.00 39.64 38.27 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 -2.60 -1.34 -3.73 1.39 7.94 -1.26 -2.01 117.00 115.39 1ls8 n LEU 139 Ca 0.00 -1.17 -0.29 0.00 -1.11 0.00 0.00 56.01 53.44 1ls8 n LEU 139 Cb 0.04 -1.81 0.01 0.00 0.53 0.00 0.00 43.42 42.19 1ls8 n LEU 139 CO 0.00 0.37 -0.26 0.00 -1.11 0.00 0.00 177.39 176.39 1ls8 n ALA 140 N -4.42 -2.69 0.24 1.96 0.00 -1.26 -4.79 120.51 109.56 1ls8 n ALA 140 Ca -0.19 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.21 1ls8 n ALA 140 Cb 0.62 -1.07 0.60 0.00 0.00 0.00 0.00 19.45 19.60 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 0.30 0.00 0.00 0.00 4.11 -1.73 -3.36 114.58 113.90 1ls8 h GLU 141 Ca -0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.80 1ls8 h GLU 141 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1ls8 h GLU 141 CO 0.33 0.15 0.00 1.55 0.07 0.00 0.00 179.01 181.11