#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 0.01 4.33 10.64 -1.26 -4.69 117.38 126.41 1ls8 n GLN 2 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1ls8 n GLN 2 Cb 0.00 -2.83 0.00 0.00 -0.86 0.00 0.00 30.24 26.55 1ls8 n GLN 2 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1ls8 n GLU 3 N -2.00 0.00 -0.35 2.61 2.13 -1.26 -4.63 120.64 117.14 1ls8 n GLU 3 Ca 0.00 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.98 1ls8 n GLU 3 Cb 0.00 -0.50 0.37 0.00 0.27 0.00 0.00 31.44 31.58 1ls8 n GLU 3 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ls8 h VAL 4 N 0.00 0.58 0.08 6.31 2.07 -1.91 0.22 116.25 123.61 1ls8 h VAL 4 Ca 0.00 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1ls8 h VAL 4 Cb 0.81 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1ls8 h VAL 4 CO 0.00 0.12 -0.04 0.24 0.02 0.00 0.00 177.57 177.91 1ls8 h MET 5 N 0.63 -0.11 -0.74 1.57 2.86 -1.95 0.36 114.93 117.56 1ls8 h MET 5 Ca 0.63 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 58.38 1ls8 h MET 5 Cb 1.14 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.75 1ls8 h MET 5 CO -0.45 0.10 0.37 -0.22 1.06 0.00 0.00 176.91 177.76 1ls8 h LYS 6 N -0.29 0.58 0.00 1.72 3.64 -1.45 -2.91 116.57 117.86 1ls8 h LYS 6 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ls8 h LYS 6 Cb 0.25 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1ls8 h LYS 6 CO 0.02 0.39 0.00 -0.97 -2.27 0.00 0.00 179.45 176.61 1ls8 h ASN 7 N 0.60 0.00 0.00 4.20 -1.24 0.00 -3.29 115.58 115.85 1ls8 h ASN 7 Ca 0.37 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.38 1ls8 h ASN 7 Cb 0.43 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1ls8 h ASN 7 CO -0.29 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.03 1ls8 n LEU 8 N -2.84 0.00 0.00 0.34 4.77 0.06 -4.85 117.00 114.49 1ls8 n LEU 8 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1ls8 n LEU 8 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1ls8 n LEU 8 CO 0.27 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.79 1ls8 n SER 9 N 0.00 -0.59 0.00 -1.43 3.41 -1.24 -4.87 113.62 108.89 1ls8 n SER 9 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ls8 n SER 9 Cb 0.00 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.39 1ls8 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ls8 n LEU 10 N 0.00 0.00 -0.11 1.04 -0.00 -1.26 -3.86 117.00 112.81 1ls8 n LEU 10 Ca 0.00 0.80 0.01 0.00 -0.00 0.00 0.00 56.01 56.82 1ls8 n LEU 10 Cb 0.05 -0.30 0.01 0.00 -0.00 0.00 0.00 43.42 43.18 1ls8 n LEU 10 CO 0.00 -0.30 0.33 -0.46 -0.00 0.00 0.00 177.39 176.96 1ls8 n ASN 11 N -1.99 1.39 -0.10 1.45 0.23 -1.26 -4.71 115.26 110.26 1ls8 n ASN 11 Ca 0.00 -1.26 -0.01 0.00 -0.53 0.00 0.00 54.58 52.77 1ls8 n ASN 11 Cb 0.00 -0.01 -0.00 0.00 -2.08 0.00 0.00 39.78 37.69 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 0.06 -0.03 0.00 -2.53 -0.00 -1.25 -2.02 117.46 111.69 1ls8 n PHE 12 Ca 0.02 0.32 0.00 0.00 -0.00 0.00 0.00 57.45 57.78 1ls8 n PHE 12 Cb 0.10 -0.57 0.00 0.00 -0.00 0.00 0.00 39.48 39.01 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 -1.10 0.98 0.24 7.13 0.00 -1.26 -4.78 105.19 106.40 1ls8 n GLY 13 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 0.28 0.00 1.61 3.64 -1.73 -1.50 116.57 118.87 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 0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1ls8 h LYS 14 CO 0.00 0.42 0.00 0.00 -2.27 0.00 0.00 179.45 177.60 1ls8 n ALA 15 N -2.49 2.10 -0.25 5.00 0.00 -0.86 -4.06 120.51 119.96 1ls8 n ALA 15 Ca -0.01 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.49 1ls8 n ALA 15 Cb 0.29 -1.12 0.37 0.00 0.00 0.00 0.00 19.45 18.98 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 0.66 -1.51 0.00 5.85 -1.54 -1.15 115.31 117.62 1ls8 h LEU 16 Ca 0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1ls8 h LEU 16 Cb 0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1ls8 h LEU 16 CO 0.00 0.36 0.04 -0.78 -0.34 0.00 0.00 178.44 177.73 1ls8 h ASP 17 N 0.72 0.32 -0.32 1.25 3.58 -1.84 0.27 116.42 120.40 1ls8 h ASP 17 Ca 0.41 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.79 1ls8 h ASP 17 Cb 0.59 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 1ls8 h ASP 17 CO -0.18 0.35 0.08 -0.33 -2.88 0.00 0.00 179.24 176.29 1ls8 h GLU 18 N 0.35 0.52 -0.53 0.28 4.39 -1.52 -0.44 114.58 117.63 1ls8 h GLU 18 Ca 0.08 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 1ls8 h GLU 18 Cb 0.17 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1ls8 h GLU 18 CO -0.00 0.57 0.00 0.00 -1.16 0.00 0.00 179.01 178.43 1ls8 h LYS 20 N 0.83 0.61 0.70 0.00 1.57 -0.15 0.21 116.57 120.33 1ls8 h LYS 20 Ca 0.16 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1ls8 h LYS 20 Cb 0.49 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1ls8 h LYS 20 CO 0.02 0.87 -0.33 -0.22 -0.57 0.00 0.00 179.45 179.21 1ls8 h LYS 21 N 0.51 -0.90 -0.40 3.15 3.11 -1.03 -0.32 116.57 120.69 1ls8 h LYS 21 Ca 0.05 0.06 0.07 0.00 -2.81 0.00 0.00 60.65 58.03 1ls8 h LYS 21 Cb 0.84 0.20 -0.07 0.00 -1.00 0.00 0.00 32.23 32.20 1ls8 h LYS 21 CO 0.07 -0.57 -0.02 0.93 -2.81 0.00 0.00 179.45 177.05 1ls8 h GLU 22 N -1.17 0.08 0.00 1.90 4.39 -0.83 -1.53 114.58 117.42 1ls8 h GLU 22 Ca -0.10 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1ls8 h GLU 22 Cb 0.74 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1ls8 h GLU 22 CO 0.16 0.05 -0.43 -1.33 -1.16 0.00 0.00 179.01 176.30 1ls8 n MET 23 N -5.22 0.24 -3.05 2.33 2.81 0.03 -5.00 117.12 109.26 1ls8 n MET 23 Ca 0.03 0.10 -0.16 0.00 -1.81 0.00 0.00 57.70 55.85 1ls8 n MET 23 Cb 0.21 -1.68 0.02 0.00 -0.71 0.00 0.00 33.22 31.06 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 -2.04 -8.60 -4.30 2.03 -1.04 -0.58 -5.06 114.28 94.69 1ls8 n THR 24 Ca 0.04 0.72 -0.24 0.00 -2.04 0.00 0.00 64.05 62.53 1ls8 n THR 24 Cb 0.42 -5.93 -0.08 0.00 -1.82 0.00 0.00 70.33 62.92 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 -2.39 3.03 0.70 -4.42 1.43 -0.22 -5.03 118.68 111.78 1ls8 s LEU 25 Ca 0.26 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1ls8 s LEU 25 Cb -0.05 -1.44 0.12 0.00 0.03 0.00 0.00 46.19 44.84 1ls8 s LEU 25 CO 0.77 -0.21 0.97 0.42 0.23 0.00 0.00 176.35 178.52 1ls8 s THR 26 N -2.48 2.19 -0.23 5.49 -4.23 -1.26 -4.81 115.64 110.31 1ls8 s THR 26 Ca 0.35 -0.60 0.21 0.00 -1.18 0.00 0.00 61.69 60.46 1ls8 s THR 26 Cb -0.01 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.25 1ls8 s THR 26 CO 0.20 0.00 1.09 -0.78 -0.54 0.00 0.00 174.62 174.58 1ls8 h ASP 27 N -0.46 0.00 0.55 3.99 3.58 -2.01 -3.37 116.42 118.70 1ls8 h ASP 27 Ca -0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1ls8 h ASP 27 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1ls8 h ASP 27 CO 0.42 0.18 0.00 0.00 -2.88 0.00 0.00 179.24 176.95 1ls8 h ALA 28 N 1.82 1.00 0.00 -0.78 0.00 -2.00 0.15 119.26 119.45 1ls8 h ALA 28 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ls8 h ALA 28 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1ls8 h ALA 28 CO 0.02 0.00 -0.18 -0.84 0.00 0.00 0.00 179.25 178.24 1ls8 h ILE 29 N 0.00 0.99 -0.08 0.00 3.07 -1.97 0.17 117.51 119.69 1ls8 h ILE 29 Ca 0.00 -0.65 0.00 0.00 1.55 0.00 0.00 64.86 65.76 1ls8 h ILE 29 Cb 0.28 1.37 -0.00 0.00 -0.27 0.00 0.00 36.82 38.19 1ls8 h ILE 29 CO 0.00 0.18 0.05 -1.13 -1.05 0.00 0.00 178.15 176.20 1ls8 h ASN 30 N 0.00 0.08 0.44 2.16 -1.24 -1.27 -2.41 115.58 113.34 1ls8 h ASN 30 Ca -0.00 -0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 1ls8 h ASN 30 Cb 0.35 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 1ls8 h ASN 30 CO 0.02 0.05 -1.64 -1.84 -1.29 0.00 0.00 177.43 172.74 1ls8 n GLU 31 N -4.53 0.64 -0.06 6.67 0.28 -0.51 -4.42 120.64 118.72 1ls8 n GLU 31 Ca -0.02 0.02 0.02 0.00 -0.16 0.00 0.00 57.16 57.01 1ls8 n GLU 31 Cb 0.09 -1.67 0.33 0.00 1.43 0.00 0.00 31.44 31.62 1ls8 n GLU 31 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1ls8 h ASP 32 N 0.00 0.58 -0.62 -1.84 3.32 -0.20 -2.15 116.42 115.52 1ls8 h ASP 32 Ca -0.11 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1ls8 h ASP 32 Cb 1.31 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1ls8 h ASP 32 CO 0.02 0.49 0.27 -0.26 -1.72 0.00 0.00 179.24 178.04 1ls8 h PHE 33 N 0.66 0.92 -0.12 4.55 -1.00 -1.74 -2.22 116.94 117.99 1ls8 h PHE 33 Ca 0.17 -0.06 -0.07 0.00 2.81 0.00 0.00 57.97 60.81 1ls8 h PHE 33 Cb 0.06 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.30 1ls8 h PHE 33 CO 0.00 0.72 0.10 0.66 -1.61 0.00 0.00 178.31 178.18 1ls8 n TYR 34 N -4.47 0.39 -3.21 -0.55 4.02 -0.81 -4.08 117.16 108.44 1ls8 n TYR 34 Ca 0.04 -1.02 -0.18 0.00 -0.01 0.00 0.00 57.90 56.73 1ls8 n TYR 34 Cb 0.15 -0.51 -0.06 0.00 -0.02 0.00 0.00 39.34 38.90 1ls8 n TYR 34 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1ls8 s ASN 35 N 1.21 0.57 0.00 7.72 2.47 -0.83 -4.92 114.94 121.16 1ls8 s ASN 35 Ca 0.08 -2.33 0.00 0.00 0.42 0.00 0.00 52.86 51.02 1ls8 s ASN 35 Cb 0.06 0.46 0.00 0.00 -1.45 0.00 0.00 41.25 40.32 1ls8 s ASN 35 CO 0.00 -0.16 0.21 0.49 -3.72 0.00 0.00 177.10 173.93 1ls8 n PHE 36 N 3.22 0.00 -0.11 0.43 3.72 -1.26 -4.97 117.46 118.49 1ls8 n PHE 36 Ca 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 1ls8 n PHE 36 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1ls8 n PHE 36 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 176.76 178.58 1ls8 n TRP 37 N -0.52 -1.26 -3.40 1.38 -0.00 -1.26 -4.76 117.44 107.62 1ls8 n TRP 37 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.50 57.18 1ls8 n TRP 37 Cb 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.35 1ls8 n TRP 37 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1ls8 n LYS 38 N -0.49 -1.98 0.24 5.87 0.00 -1.26 -4.81 118.16 115.72 1ls8 n LYS 38 Ca 0.00 1.52 0.16 0.00 -0.00 0.00 0.00 58.31 59.98 1ls8 n LYS 38 Cb 0.00 -2.83 0.69 0.00 -0.00 0.00 0.00 35.03 32.89 1ls8 n LYS 38 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1ls8 h GLU 39 N 1.87 0.00 -0.02 -1.58 5.08 -1.93 0.26 114.58 118.27 1ls8 h GLU 39 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1ls8 h GLU 39 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1ls8 h GLU 39 CO 0.24 0.00 -0.41 0.41 -1.00 0.00 0.00 179.01 178.24 1ls8 n GLY 40 N -1.35 0.11 3.42 -3.84 0.00 -1.26 -4.66 105.19 97.60 1ls8 n GLY 40 Ca 0.02 -0.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.33 3.04 -0.26 1.61 6.14 0.93 -5.07 117.35 121.42 1ls8 s TYR 41 Ca 0.18 -0.71 -0.21 0.00 0.64 0.00 0.00 57.07 56.98 1ls8 s TYR 41 Cb 0.17 -3.69 -0.02 0.00 0.42 0.00 0.00 41.96 38.84 1ls8 s TYR 41 CO 0.52 -1.12 0.64 -2.00 0.64 0.00 0.00 175.55 174.23 1ls8 s GLU 42 N 2.60 4.10 -0.60 4.97 2.12 -1.26 -4.87 118.70 125.76 1ls8 s GLU 42 Ca 0.13 0.56 -0.33 0.00 0.36 0.00 0.00 54.97 55.69 1ls8 s GLU 42 Cb -0.21 -3.65 -0.14 0.00 0.26 0.00 0.00 34.13 30.38 1ls8 s GLU 42 CO 0.10 -0.43 2.40 -0.89 -0.54 0.00 0.00 175.26 175.90 1ls8 n ILE 43 N 5.21 0.04 0.12 -3.70 5.41 -1.26 -4.85 119.36 120.33 1ls8 n ILE 43 Ca -0.00 -0.28 -0.02 0.00 1.00 0.00 0.00 62.75 63.45 1ls8 n ILE 43 Cb 0.49 -1.44 0.07 0.00 -0.71 0.00 0.00 39.64 38.05 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 13.61 0.00 -6.35 0.38 2.10 -2.01 -3.41 116.57 120.88 1ls8 h LYS 44 Ca -0.18 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 57.91 1ls8 h LYS 44 Cb 1.32 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.59 1ls8 h LYS 44 CO 1.18 0.71 0.95 -0.80 -2.00 0.00 0.00 179.45 179.49 1ls8 s ASN 45 N -6.69 6.71 0.06 7.07 0.01 -1.26 -4.85 114.94 115.99 1ls8 s ASN 45 Ca 0.00 1.17 0.22 0.00 -0.71 0.00 0.00 52.86 53.54 1ls8 s ASN 45 Cb 0.11 -2.54 0.89 0.00 0.41 0.00 0.00 41.25 40.12 1ls8 s ASN 45 CO 0.77 -1.05 1.68 -2.11 -1.51 0.00 0.00 177.10 174.88 1ls8 n ARG 46 N 7.26 0.06 0.23 -0.60 0.00 -1.26 -3.88 116.66 118.46 1ls8 n ARG 46 Ca 0.14 0.20 0.07 0.00 -0.00 0.00 0.00 57.85 58.26 1ls8 n ARG 46 Cb 0.47 -1.59 0.61 0.00 -0.00 0.00 0.00 32.46 31.94 1ls8 n ARG 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1ls8 h GLU 47 N 0.00 0.07 0.57 2.89 4.39 -1.94 -2.91 114.58 117.66 1ls8 h GLU 47 Ca 0.00 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1ls8 h GLU 47 Cb 0.40 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1ls8 h GLU 47 CO 0.00 0.05 -0.47 1.15 -1.16 0.00 0.00 179.01 178.58 1ls8 h THR 48 N 0.07 0.00 -0.43 1.13 2.02 -1.95 0.15 112.91 113.90 1ls8 h THR 48 Ca 0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1ls8 h THR 48 Cb 0.01 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1ls8 h THR 48 CO -0.00 0.00 0.19 1.23 0.37 0.00 0.00 175.52 177.31 1ls8 h GLY 49 N -1.02 0.63 1.47 2.16 0.00 -1.77 -0.09 103.07 104.46 1ls8 h GLY 49 Ca -0.07 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 1ls8 h GLY 49 CO -0.00 0.27 -0.37 0.00 0.00 0.00 0.00 176.54 176.45 1ls8 h ALA 51 N 1.11 0.07 -0.77 0.00 0.00 -0.15 -2.59 119.26 116.93 1ls8 h ALA 51 Ca 0.05 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ls8 h ALA 51 Cb 0.86 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1ls8 h ALA 51 CO 0.07 -0.43 0.45 0.82 0.00 0.00 0.00 179.25 180.17 1ls8 h ILE 52 N 0.07 0.99 -0.22 0.00 2.04 -0.33 0.21 117.51 120.26 1ls8 h ILE 52 Ca 0.02 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.64 1ls8 h ILE 52 Cb 0.00 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.15 1ls8 h ILE 52 CO -0.00 0.15 -0.02 -0.03 0.00 0.00 0.00 178.15 178.25 1ls8 h MET 53 N 0.82 0.04 -0.55 2.37 4.05 -0.72 0.03 114.93 120.97 1ls8 h MET 53 Ca 0.34 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.76 1ls8 h MET 53 Cb 0.20 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 1ls8 h MET 53 CO -0.19 0.03 0.33 0.00 0.23 0.00 0.00 176.91 177.31 1ls8 h LEU 55 N 0.74 -0.20 -1.36 0.00 3.38 -0.11 -2.12 115.31 115.63 1ls8 h LEU 55 Ca 0.20 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1ls8 h LEU 55 Cb -0.00 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1ls8 h LEU 55 CO -0.04 -0.08 0.18 0.28 0.09 0.00 0.00 178.44 178.87 1ls8 h SER 56 N -0.05 0.55 0.27 -0.43 0.02 -0.77 0.37 113.55 113.50 1ls8 h SER 56 Ca 0.07 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1ls8 h SER 56 Cb 0.15 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1ls8 h SER 56 CO -0.15 0.50 -0.27 0.74 -1.14 0.00 0.00 176.83 176.51 1ls8 h THR 57 N 0.61 0.00 0.00 -2.27 2.02 -0.94 -0.09 112.91 112.24 1ls8 h THR 57 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1ls8 h THR 57 Cb 0.12 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1ls8 h THR 57 CO -0.02 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.16 1ls8 n LYS 58 N -3.97 0.09 0.22 6.66 5.02 -0.76 -1.04 118.16 124.38 1ls8 n LYS 58 Ca -0.06 0.04 0.15 0.00 -2.02 0.00 0.00 58.31 56.42 1ls8 n LYS 58 Cb 0.24 -1.50 0.51 0.00 -0.02 0.00 0.00 35.03 34.26 1ls8 n LYS 58 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1ls8 h LEU 59 N 0.00 0.00 0.06 -0.35 3.38 -0.33 -3.47 115.31 114.60 1ls8 h LEU 59 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1ls8 h LEU 59 Cb 0.41 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.18 1ls8 h LEU 59 CO 0.00 0.00 -0.24 0.59 0.09 0.00 0.00 178.44 178.88 1ls8 n ASN 60 N -2.83 -3.35 0.08 -0.43 3.02 -0.21 -4.88 115.26 106.67 1ls8 n ASN 60 Ca 0.02 -0.11 -0.04 0.00 -0.03 0.00 0.00 54.58 54.42 1ls8 n ASN 60 Cb 0.35 -2.26 -0.02 0.00 -0.61 0.00 0.00 39.78 37.25 1ls8 n ASN 60 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1ls8 h MET 61 N -0.56 -0.23 -5.57 3.52 2.86 -1.19 -3.39 114.93 110.37 1ls8 h MET 61 Ca -0.21 0.02 -0.59 0.00 -2.06 0.00 0.00 59.70 56.86 1ls8 h MET 61 Cb 1.14 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.76 1ls8 h MET 61 CO 0.22 -0.15 -0.20 -0.51 1.06 0.00 0.00 176.91 177.33 1ls8 s LEU 62 N -6.06 4.22 1.07 1.22 1.43 -0.99 -3.94 118.68 115.64 1ls8 s LEU 62 Ca -0.03 0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 53.50 1ls8 s LEU 62 Cb 0.00 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.68 1ls8 s LEU 62 CO 0.10 -0.01 -0.45 -0.90 0.23 0.00 0.00 176.35 175.33 1ls8 n ASP 63 N 3.94 -2.60 -1.71 2.29 5.75 -1.26 -4.56 116.55 118.42 1ls8 n ASP 63 Ca -0.08 -0.11 -0.06 0.00 -0.01 0.00 0.00 54.79 54.53 1ls8 n ASP 63 Cb 0.51 -0.80 -0.04 0.00 -1.03 0.00 0.00 41.12 39.76 1ls8 n ASP 63 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1ls8 n PRO 64 N -0.67 1.39 0.03 0.11 -0.04 -1.26 -2.87 135.00 131.70 1ls8 n PRO 64 Ca 0.00 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 1ls8 n PRO 64 Cb 0.64 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 1.65 0.00 0.00 0.54 1.02 -1.26 -5.08 120.64 117.51 1ls8 n GLU 65 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1ls8 n GLU 65 Cb 0.62 -0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 1ls8 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ls8 n GLY 66 N 1.54 0.52 3.21 0.62 0.00 -1.14 -5.13 105.19 104.81 1ls8 n GLY 66 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.52 5.72 -0.10 1.61 0.01 -1.26 -4.98 114.94 115.42 1ls8 s ASN 67 Ca 0.00 -1.97 -0.09 0.00 -0.71 0.00 0.00 52.86 50.08 1ls8 s ASN 67 Cb 0.00 -2.01 -0.04 0.00 0.41 0.00 0.00 41.25 39.61 1ls8 s ASN 67 CO 0.00 -0.68 0.37 -0.11 -1.51 0.00 0.00 177.10 175.17 1ls8 n LEU 68 N 4.83 0.21 -4.60 0.60 7.94 -1.26 -4.70 117.00 120.01 1ls8 n LEU 68 Ca -0.07 0.20 -0.41 0.00 -1.11 0.00 0.00 56.01 54.63 1ls8 n LEU 68 Cb 0.41 -0.18 -0.07 0.00 0.53 0.00 0.00 43.42 44.11 1ls8 n LEU 68 CO 0.43 -0.17 0.38 -2.28 -1.11 0.00 0.00 177.39 174.64 1ls8 s HIS 69 N 0.85 3.22 0.00 1.96 5.65 -1.26 -5.02 115.29 120.68 1ls8 s HIS 69 Ca 0.23 0.61 0.00 0.00 0.25 0.00 0.00 55.06 56.15 1ls8 s HIS 69 Cb -0.31 -2.96 0.00 0.00 -1.18 0.00 0.00 32.58 28.13 1ls8 s HIS 69 CO 0.15 -0.45 0.29 -2.39 -0.65 0.00 0.00 174.74 171.69 1ls8 n HIS 70 N 5.85 0.00 0.19 3.88 1.44 -1.26 -1.59 115.22 123.73 1ls8 n HIS 70 Ca -0.01 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.73 1ls8 n HIS 70 Cb 0.49 0.00 0.38 0.00 0.12 0.00 0.00 29.99 30.98 1ls8 n HIS 70 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 1ls8 h GLY 71 N 0.00 0.00 1.28 -1.39 0.00 -1.97 -2.14 103.07 98.85 1ls8 h GLY 71 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1ls8 h GLY 71 CO 0.00 0.00 -0.53 -0.57 0.00 0.00 0.00 176.54 175.44 1ls8 h ASN 72 N 0.00 0.84 -0.24 0.19 -1.24 -1.85 0.15 115.58 113.43 1ls8 h ASN 72 Ca -0.00 -0.44 -0.00 0.00 0.71 0.00 0.00 56.30 56.56 1ls8 h ASN 72 Cb 0.64 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1ls8 h ASN 72 CO 0.05 1.20 0.14 0.00 -1.29 0.00 0.00 177.43 177.53 1ls8 h ALA 73 N 0.81 0.30 -0.74 1.57 0.00 -0.95 -2.67 119.26 117.59 1ls8 h ALA 73 Ca 0.02 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1ls8 h ALA 73 Cb 1.11 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1ls8 h ALA 73 CO 0.11 -0.18 0.49 1.98 0.00 0.00 0.00 179.25 181.65 1ls8 h MET 74 N 0.29 0.77 0.00 0.00 1.85 -1.03 -2.07 114.93 114.74 1ls8 h MET 74 Ca 0.08 -0.05 -0.04 0.00 -0.61 0.00 0.00 59.70 59.09 1ls8 h MET 74 Cb 0.03 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 31.88 1ls8 h MET 74 CO -0.02 0.51 -0.19 0.93 -0.40 0.00 0.00 176.91 177.74 1ls8 h GLU 75 N 0.79 0.00 -0.58 0.39 5.08 -0.36 0.14 114.58 120.03 1ls8 h GLU 75 Ca 0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1ls8 h GLU 75 Cb 0.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1ls8 h GLU 75 CO -0.11 0.19 0.27 0.35 -1.00 0.00 0.00 179.01 178.71 1ls8 h PHE 76 N 0.00 0.85 -0.00 4.33 3.57 -1.25 -2.90 116.94 121.53 1ls8 h PHE 76 Ca -0.00 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 1ls8 h PHE 76 Cb 0.34 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 38.83 1ls8 h PHE 76 CO 0.00 0.66 -0.45 0.00 -2.23 0.00 0.00 178.31 176.29 1ls8 h ALA 77 N 1.11 0.06 -0.07 2.41 0.00 -1.25 -3.27 119.26 118.25 1ls8 h ALA 77 Ca 0.20 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1ls8 h ALA 77 Cb 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ls8 h ALA 77 CO -0.02 0.24 0.11 1.57 0.00 0.00 0.00 179.25 181.15 1ls8 h LYS 78 N -0.27 0.00 -0.83 0.00 5.09 -0.80 -2.62 116.57 117.14 1ls8 h LYS 78 Ca -0.06 0.00 0.19 0.00 0.09 0.00 0.00 60.65 60.88 1ls8 h LYS 78 Cb 1.18 0.00 -0.15 0.00 0.10 0.00 0.00 32.23 33.36 1ls8 h LYS 78 CO 0.09 0.00 -0.05 -0.22 -2.09 0.00 0.00 179.45 177.18 1ls8 h LYS 79 N 0.00 0.06 -0.33 0.07 1.63 -1.56 -0.35 116.57 116.09 1ls8 h LYS 79 Ca 0.03 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1ls8 h LYS 79 Cb 0.25 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1ls8 h LYS 79 CO -0.00 0.04 0.00 0.72 -3.45 0.00 0.00 179.45 176.76 1ls8 n HIS 80 N -5.43 0.68 -1.34 1.91 8.25 -1.00 -5.01 115.22 113.28 1ls8 n HIS 80 Ca 0.15 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.97 1ls8 n HIS 80 Cb 0.52 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 0.17 0.70 3.73 -1.41 0.00 -0.14 -4.92 105.19 103.32 1ls8 n GLY 81 Ca 0.16 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1ls8 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ls8 s ALA 82 N -2.89 1.34 0.40 4.61 0.00 -1.19 -4.97 121.76 119.05 1ls8 s ALA 82 Ca 0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.20 1ls8 s ALA 82 Cb 0.00 -3.03 -0.11 0.00 0.00 0.00 0.00 23.12 19.98 1ls8 s ALA 82 CO 0.00 -2.66 0.92 -0.51 0.00 0.00 0.00 175.76 173.51 1ls8 s ASP 83 N -3.84 6.98 0.04 0.00 1.01 -1.26 -4.91 116.67 114.69 1ls8 s ASP 83 Ca 0.66 1.67 -0.25 0.00 0.71 0.00 0.00 52.55 55.33 1ls8 s ASP 83 Cb -0.15 -2.53 -0.17 0.00 1.01 0.00 0.00 42.92 41.08 1ls8 s ASP 83 CO 0.55 -0.30 1.50 -0.08 0.21 0.00 0.00 175.17 177.06 1ls8 h GLU 84 N 2.14 -0.12 -0.52 8.23 4.81 -1.98 0.12 114.58 127.25 1ls8 h GLU 84 Ca -0.49 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.68 1ls8 h GLU 84 Cb 1.18 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1ls8 h GLU 84 CO 0.62 0.10 0.02 1.15 -0.73 0.00 0.00 179.01 180.18 1ls8 h THR 85 N -0.33 1.26 -0.35 0.32 2.02 -1.98 0.80 112.91 114.65 1ls8 h THR 85 Ca -0.01 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.09 1ls8 h THR 85 Cb 0.28 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1ls8 h THR 85 CO 0.02 0.38 0.13 -0.03 0.37 0.00 0.00 175.52 176.39 1ls8 h MET 86 N 0.78 0.53 -0.52 6.66 1.85 -1.92 0.11 114.93 122.42 1ls8 h MET 86 Ca 0.15 -0.10 -0.03 0.00 -0.61 0.00 0.00 59.70 59.11 1ls8 h MET 86 Cb 0.49 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.41 1ls8 h MET 86 CO 0.02 0.53 0.18 0.00 -0.40 0.00 0.00 176.91 177.24 1ls8 h ALA 87 N 0.98 1.35 -0.04 0.39 0.00 -0.74 -1.24 119.26 119.95 1ls8 h ALA 87 Ca 0.12 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1ls8 h ALA 87 Cb 0.20 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ls8 h ALA 87 CO -0.01 0.48 -0.40 0.37 0.00 0.00 0.00 179.25 179.69 1ls8 h GLN 88 N 0.75 0.34 -0.85 0.00 5.75 -0.59 -2.90 115.11 117.62 1ls8 h GLN 88 Ca 0.18 -0.32 0.08 0.00 -0.15 0.00 0.00 58.65 58.44 1ls8 h GLN 88 Cb 0.19 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.75 1ls8 h GLN 88 CO -0.01 0.98 0.50 1.96 -2.65 0.00 0.00 178.83 179.61 1ls8 h GLN 89 N -0.18 0.85 0.00 1.69 1.08 -0.55 0.11 115.11 118.11 1ls8 h GLN 89 Ca -0.04 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1ls8 h GLN 89 Cb 1.09 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1ls8 h GLN 89 CO 0.08 0.56 0.00 1.28 -0.95 0.00 0.00 178.83 179.80 1ls8 n LEU 90 N -4.69 0.61 0.04 1.46 4.32 -0.49 -0.13 117.00 118.12 1ls8 n LEU 90 Ca 0.13 0.62 -0.03 0.00 -0.02 0.00 0.00 56.01 56.72 1ls8 n LEU 90 Cb 0.24 -0.51 -0.01 0.00 -1.62 0.00 0.00 43.42 41.52 1ls8 n LEU 90 CO 0.29 -0.42 0.08 0.40 -1.22 0.00 0.00 177.39 176.52 1ls8 h ILE 91 N 0.00 0.00 -0.72 -0.08 2.04 -1.08 -3.39 117.51 114.28 1ls8 h ILE 91 Ca 0.00 -0.69 0.16 0.00 1.00 0.00 0.00 64.86 65.33 1ls8 h ILE 91 Cb 0.44 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.41 1ls8 h ILE 91 CO 0.00 0.00 0.10 -0.78 0.00 0.00 0.00 178.15 177.47 1ls8 h ASP 92 N -0.87 -0.14 -0.72 1.72 3.58 0.02 -0.32 116.42 119.69 1ls8 h ASP 92 Ca -0.02 0.16 0.14 0.00 0.42 0.00 0.00 57.03 57.74 1ls8 h ASP 92 Cb 0.14 0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.39 1ls8 h ASP 92 CO 0.03 -0.10 0.49 0.40 -2.88 0.00 0.00 179.24 177.18 1ls8 h ILE 93 N 0.19 0.80 0.40 2.25 2.04 -0.77 0.21 117.51 122.64 1ls8 h ILE 93 Ca 0.40 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 66.11 1ls8 h ILE 93 Cb 0.70 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1ls8 h ILE 93 CO -0.56 0.07 -0.19 0.58 0.00 0.00 0.00 178.15 178.05 1ls8 h VAL 94 N 0.38 0.60 -0.10 1.67 2.07 -1.25 -1.51 116.25 118.12 1ls8 h VAL 94 Ca 0.35 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1ls8 h VAL 94 Cb 0.83 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1ls8 h VAL 94 CO -0.11 0.05 -0.09 -0.74 0.02 0.00 0.00 177.57 176.71 1ls8 h HIS 95 N -0.71 -0.22 -0.10 1.57 -0.00 -1.22 0.93 115.15 115.40 1ls8 h HIS 95 Ca -0.06 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 1ls8 h HIS 95 Cb 0.50 0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 28.02 1ls8 h HIS 95 CO -0.01 -0.14 -0.03 0.78 -0.00 0.00 0.00 177.93 178.53 1ls8 h GLY 96 N -0.11 0.15 0.95 5.26 0.00 -0.65 0.35 103.07 109.02 1ls8 h GLY 96 Ca 0.07 -0.07 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1ls8 h GLY 96 CO -0.16 0.07 -1.72 0.00 0.00 0.00 0.00 176.54 174.72 1ls8 h GLU 98 N 0.11 0.00 -0.22 0.00 5.08 -0.44 0.18 114.58 119.29 1ls8 h GLU 98 Ca -0.34 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.87 1ls8 h GLU 98 Cb 2.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.36 1ls8 h GLU 98 CO 0.19 0.01 -0.47 -0.22 -1.00 0.00 0.00 179.01 177.52 1ls8 h LYS 99 N 0.00 0.70 -0.10 2.33 3.11 -1.02 -3.28 116.57 118.30 1ls8 h LYS 99 Ca -0.00 -0.46 -0.13 0.00 -2.81 0.00 0.00 60.65 57.25 1ls8 h LYS 99 Cb 0.03 0.06 0.01 0.00 -1.00 0.00 0.00 32.23 31.33 1ls8 h LYS 99 CO 0.00 1.09 -0.42 0.77 -2.81 0.00 0.00 179.45 178.07 1ls8 h SER 100 N 0.41 0.55 -3.98 4.20 0.02 -1.24 -3.45 113.55 110.07 1ls8 h SER 100 Ca 0.00 -0.63 -0.53 0.00 -0.84 0.00 0.00 61.79 59.80 1ls8 h SER 100 Cb 1.08 -0.16 0.09 0.00 0.14 0.00 0.00 62.40 63.54 1ls8 h SER 100 CO 0.10 1.09 0.58 -0.89 -1.14 0.00 0.00 176.83 176.58 1ls8 s THR 101 N -3.72 2.63 0.55 -2.27 2.01 0.56 -5.05 115.64 110.34 1ls8 s THR 101 Ca -0.13 0.52 -0.09 0.00 0.31 0.00 0.00 61.69 62.30 1ls8 s THR 101 Cb 0.05 -3.29 0.13 0.00 0.01 0.00 0.00 72.50 69.40 1ls8 s THR 101 CO 0.81 0.04 0.58 -0.81 -0.69 0.00 0.00 174.62 174.55 1ls8 n PRO 102 N -0.23 -1.48 -1.21 4.92 -0.04 -1.26 -4.81 135.00 130.90 1ls8 n PRO 102 Ca 0.06 -0.91 -0.31 0.00 -0.04 0.00 0.00 63.50 62.29 1ls8 n PRO 102 Cb 0.45 -0.74 0.10 0.00 -0.04 0.00 0.00 33.50 33.26 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 -3.40 2.13 0.09 0.55 0.00 -1.26 -5.00 121.76 114.87 1ls8 s ALA 103 Ca 0.35 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.73 1ls8 s ALA 103 Cb -0.02 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1ls8 s ALA 103 CO 0.26 -1.90 -0.13 1.21 0.00 0.00 0.00 175.76 175.20 1ls8 s ASN 104 N -3.17 1.69 0.54 0.00 2.47 -1.26 -5.00 114.94 110.21 1ls8 s ASN 104 Ca 0.63 -0.71 0.35 0.00 0.42 0.00 0.00 52.86 53.55 1ls8 s ASN 104 Cb -0.19 -0.04 1.90 0.00 -1.45 0.00 0.00 41.25 41.48 1ls8 s ASN 104 CO 0.55 -0.14 2.07 0.44 -3.72 0.00 0.00 177.10 176.30 1ls8 h ASP 105 N 3.93 0.00 -3.35 -4.21 3.32 -2.02 -3.38 116.42 110.71 1ls8 h ASP 105 Ca -0.40 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.06 1ls8 h ASP 105 Cb 1.19 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.35 1ls8 h ASP 105 CO 0.46 0.00 -0.76 -0.62 -1.72 0.00 0.00 179.24 176.60 1ls8 s ASP 106 N -4.66 3.97 0.31 6.45 -1.08 -1.26 -4.99 116.67 115.41 1ls8 s ASP 106 Ca -0.04 -1.53 0.24 0.00 -0.52 0.00 0.00 52.55 50.71 1ls8 s ASP 106 Cb 0.10 -1.01 1.11 0.00 -1.46 0.00 0.00 42.92 41.66 1ls8 s ASP 106 CO 0.32 -0.36 1.73 0.50 0.52 0.00 0.00 175.17 177.88 1ls8 h LYS 107 N 8.01 0.00 0.05 4.34 3.64 -1.99 -0.87 116.57 129.75 1ls8 h LYS 107 Ca -0.13 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1ls8 h LYS 107 Cb 1.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1ls8 h LYS 107 CO 0.45 0.00 -0.02 0.00 -2.27 0.00 0.00 179.45 177.61 1ls8 h ILE 109 N -0.63 1.23 0.17 0.00 5.03 -1.66 -0.75 117.51 120.90 1ls8 h ILE 109 Ca -0.01 -0.86 0.01 0.00 -0.12 0.00 0.00 64.86 63.89 1ls8 h ILE 109 Cb 0.55 0.70 -0.03 0.00 -3.03 0.00 0.00 36.82 35.01 1ls8 h ILE 109 CO 0.01 0.32 -0.31 -0.25 -0.68 0.00 0.00 178.15 177.24 1ls8 h TRP 110 N 0.80 -0.83 0.24 1.37 7.01 -1.18 -2.57 115.95 120.81 1ls8 h TRP 110 Ca 0.17 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.20 1ls8 h TRP 110 Cb 0.33 0.34 -0.03 0.00 -2.10 0.00 0.00 29.16 27.70 1ls8 h TRP 110 CO 0.02 -0.42 -0.32 1.15 -2.79 0.00 0.00 178.44 176.08 1ls8 h THR 111 N -0.56 0.33 -0.57 2.65 2.02 -0.71 -2.74 112.91 113.33 1ls8 h THR 111 Ca 0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.31 1ls8 h THR 111 Cb 0.56 0.33 -0.11 0.00 -1.74 0.00 0.00 68.15 67.19 1ls8 h THR 111 CO -0.15 0.00 -0.22 -0.07 0.37 0.00 0.00 175.52 175.45 1ls8 h LEU 112 N -0.62 -0.77 -1.01 2.58 4.07 -1.07 0.32 115.31 118.82 1ls8 h LEU 112 Ca 0.00 0.19 -0.10 0.00 0.08 0.00 0.00 57.88 58.06 1ls8 h LEU 112 Cb 0.59 0.44 -0.01 0.00 1.08 0.00 0.00 40.66 42.76 1ls8 h LEU 112 CO -0.11 -0.24 -0.36 1.23 -1.08 0.00 0.00 178.44 177.87 1ls8 h GLY 113 N -0.08 0.26 1.00 0.83 0.00 -1.31 0.11 103.07 103.89 1ls8 h GLY 113 Ca 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1ls8 h GLY 113 CO -0.62 0.21 0.26 -2.08 0.00 0.00 0.00 176.54 174.31 1ls8 h VAL 114 N 0.21 1.23 0.00 4.60 2.07 -0.99 -1.64 116.25 121.73 1ls8 h VAL 114 Ca 0.02 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1ls8 h VAL 114 Cb 0.75 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1ls8 h VAL 114 CO 0.06 0.28 -0.24 0.00 0.02 0.00 0.00 177.57 177.69 1ls8 h ALA 115 N 1.11 1.23 0.04 1.67 0.00 0.97 -0.13 119.26 124.14 1ls8 h ALA 115 Ca 0.21 -0.21 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1ls8 h ALA 115 Cb 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1ls8 h ALA 115 CO -0.02 0.29 -1.42 1.79 0.00 0.00 0.00 179.25 179.89 1ls8 h THR 116 N 0.00 0.87 -0.98 0.00 1.35 -0.79 -3.32 112.91 110.04 1ls8 h THR 116 Ca -0.00 -2.24 0.19 0.00 -0.55 0.00 0.00 66.41 63.81 1ls8 h THR 116 Cb 0.56 2.36 -0.09 0.00 -1.73 0.00 0.00 68.15 69.25 1ls8 h THR 116 CO 0.03 0.49 0.61 0.00 -0.25 0.00 0.00 175.52 176.41 1ls8 h PHE 118 N 0.69 -0.48 -0.80 0.00 3.04 -1.14 -2.29 116.94 115.96 1ls8 h PHE 118 Ca 0.55 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.54 1ls8 h PHE 118 Cb 0.95 0.23 -0.04 0.00 2.56 0.00 0.00 35.95 39.65 1ls8 h PHE 118 CO -0.00 -0.26 0.52 -0.22 -2.02 0.00 0.00 178.31 176.33 1ls8 h LYS 119 N -0.24 1.02 -0.85 1.11 3.11 -1.41 -2.25 116.57 117.07 1ls8 h LYS 119 Ca 0.09 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.85 1ls8 h LYS 119 Cb 0.38 -0.23 -0.04 0.00 -1.00 0.00 0.00 32.23 31.34 1ls8 h LYS 119 CO -0.26 0.68 0.44 0.00 -2.81 0.00 0.00 179.45 177.50 1ls8 h ALA 120 N 1.31 1.17 -0.33 5.00 0.00 -1.28 -2.25 119.26 122.87 1ls8 h ALA 120 Ca 0.30 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1ls8 h ALA 120 Cb -0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 1ls8 h ALA 120 CO -0.08 0.65 0.14 0.93 0.00 0.00 0.00 179.25 180.89 1ls8 h GLU 121 N 1.20 0.29 -0.02 0.00 4.39 -0.85 -2.18 114.58 117.41 1ls8 h GLU 121 Ca 0.30 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.98 1ls8 h GLU 121 Cb 0.07 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1ls8 h GLU 121 CO -0.04 0.19 0.02 0.82 -1.16 0.00 0.00 179.01 178.83 1ls8 h ILE 122 N 0.30 0.75 0.11 3.13 1.08 -1.02 0.31 117.51 122.17 1ls8 h ILE 122 Ca 0.14 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.61 1ls8 h ILE 122 Cb 0.09 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1ls8 h ILE 122 CO -0.13 0.00 -0.05 -0.74 -0.69 0.00 0.00 178.15 176.54 1ls8 h HIS 123 N 0.00 -0.13 -0.20 1.37 -0.00 -1.13 -0.90 115.15 114.16 1ls8 h HIS 123 Ca 0.01 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.30 1ls8 h HIS 123 Cb 0.04 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 1ls8 h HIS 123 CO 0.00 0.37 -0.22 1.57 -0.00 0.00 0.00 177.93 179.65 1ls8 h LYS 124 N -0.85 0.36 0.00 5.26 2.10 -0.92 0.70 116.57 123.22 1ls8 h LYS 124 Ca -0.01 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1ls8 h LYS 124 Cb 0.56 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1ls8 h LYS 124 CO 0.02 0.57 0.00 -0.07 -2.00 0.00 0.00 179.45 177.97 1ls8 h LEU 125 N 0.33 0.00 -2.00 7.07 3.38 -1.00 -3.46 115.31 119.62 1ls8 h LEU 125 Ca 0.05 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.65 1ls8 h LEU 125 Cb 0.57 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.43 1ls8 h LEU 125 CO 0.04 0.00 -0.83 -3.20 0.09 0.00 0.00 178.44 174.54 1ls8 n ASN 126 N -2.76 -2.62 -1.72 -0.43 5.15 0.24 -4.95 115.26 108.17 1ls8 n ASN 126 Ca -0.01 -0.77 -0.18 0.00 -0.60 0.00 0.00 54.58 53.01 1ls8 n ASN 126 Cb 0.13 -4.43 0.08 0.00 -0.53 0.00 0.00 39.78 35.02 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 -4.07 2.16 -3.48 1.20 8.01 -0.40 -4.97 117.44 115.89 1ls8 n TRP 127 Ca -0.24 -2.12 -0.43 0.00 -1.31 0.00 0.00 57.50 53.40 1ls8 n TRP 127 Cb 0.66 -0.45 -0.08 0.00 -2.01 0.00 0.00 31.31 29.43 1ls8 n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ls8 s ALA 128 N -3.53 3.45 0.92 6.99 0.00 -1.26 -4.85 121.76 123.48 1ls8 s ALA 128 Ca 0.50 -2.26 -0.13 0.00 0.00 0.00 0.00 51.96 50.07 1ls8 s ALA 128 Cb 0.41 -2.91 0.14 0.00 0.00 0.00 0.00 23.12 20.77 1ls8 s ALA 128 CO 0.01 -1.77 1.16 -1.25 0.00 0.00 0.00 175.76 173.91 1ls8 s PRO 129 N 1.51 1.07 0.25 0.00 0.04 -1.26 -4.90 135.00 131.72 1ls8 s PRO 129 Ca 0.04 0.18 0.20 0.00 0.04 0.00 0.00 61.00 61.46 1ls8 s PRO 129 Cb -0.25 -1.84 0.98 0.00 0.04 0.00 0.00 34.50 33.43 1ls8 s PRO 129 CO 0.03 -2.22 1.62 0.43 0.04 0.00 0.00 177.00 176.90 1ls8 n SER 130 N -3.76 0.53 0.11 6.66 7.64 -1.26 -0.74 113.62 122.80 1ls8 n SER 130 Ca 0.08 0.69 0.12 0.00 1.01 0.00 0.00 58.87 60.77 1ls8 n SER 130 Cb 0.60 -0.78 0.45 0.00 -1.01 0.00 0.00 64.21 63.46 1ls8 n SER 130 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1ls8 n MET 131 N -2.15 0.22 0.00 1.43 0.00 -1.26 -5.03 117.12 110.32 1ls8 n MET 131 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 57.70 57.99 1ls8 n MET 131 Cb 0.12 -1.81 0.00 0.00 0.00 0.00 0.00 33.22 31.53 1ls8 n MET 131 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1ls8 n ASP 132 N -2.19 0.00 -4.51 6.12 8.00 0.09 -3.66 116.55 120.40 1ls8 n ASP 132 Ca 0.04 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.11 1ls8 n ASP 132 Cb 0.34 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 1ls8 n ASP 132 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ls8 s VAL 133 N 0.00 4.74 -0.72 2.53 -7.23 -1.26 -4.68 120.40 113.78 1ls8 s VAL 133 Ca 0.00 0.06 0.12 0.00 -1.81 0.00 0.00 61.98 60.35 1ls8 s VAL 133 Cb 0.00 -4.30 0.12 0.00 0.56 0.00 0.00 36.38 32.76 1ls8 s VAL 133 CO 0.00 -0.75 1.38 0.00 -0.31 0.00 0.00 175.10 175.42 1ls8 n ALA 134 N 6.51 1.25 -3.57 1.32 0.00 -1.24 -2.72 120.51 122.06 1ls8 n ALA 134 Ca -0.01 0.05 -0.40 0.00 0.00 0.00 0.00 53.44 53.08 1ls8 n ALA 134 Cb 0.47 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 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 -3.19 4.51 -0.02 0.00 1.01 -1.26 -4.78 120.40 116.67 1ls8 s VAL 135 Ca 0.02 -3.08 -0.01 0.00 0.00 0.00 0.00 61.98 58.91 1ls8 s VAL 135 Cb 0.05 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1ls8 s VAL 135 CO 0.17 -0.99 0.01 0.61 0.00 0.00 0.00 175.10 174.90 1ls8 n GLY 136 N 3.29 -3.05 0.00 4.51 0.00 -1.22 -4.91 105.19 103.81 1ls8 n GLY 136 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ls8 n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ls8 n GLU 137 N 0.11 -0.43 -2.39 1.61 1.02 -1.10 -4.61 120.64 114.85 1ls8 n GLU 137 Ca -0.02 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.08 1ls8 n GLU 137 Cb 0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.41 1ls8 n GLU 137 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1ls8 n ILE 138 N -1.90-11.77 -2.26 -3.67 2.08 -1.26 -4.67 119.36 95.92 1ls8 n ILE 138 Ca 0.00 2.52 0.01 0.00 0.56 0.00 0.00 62.75 65.84 1ls8 n ILE 138 Cb 0.00 -6.08 0.08 0.00 -0.75 0.00 0.00 39.64 32.88 1ls8 n ILE 138 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1ls8 n LEU 139 N 1.51 2.01 -3.52 1.39 0.00 -1.26 -4.89 117.00 112.24 1ls8 n LEU 139 Ca -0.30 -3.01 -0.11 0.00 0.00 0.00 0.00 56.01 52.58 1ls8 n LEU 139 Cb 0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 43.42 43.75 1ls8 n LEU 139 CO 0.28 1.02 0.64 0.00 0.00 0.00 0.00 177.39 179.34 1ls8 s ALA 140 N -1.96 -1.83 -1.52 1.96 0.00 -1.26 -4.63 121.76 112.52 1ls8 s ALA 140 Ca 0.36 1.21 -0.14 0.00 0.00 0.00 0.00 51.96 53.39 1ls8 s ALA 140 Cb 0.37 0.01 0.14 0.00 0.00 0.00 0.00 23.12 23.64 1ls8 s ALA 140 CO -0.10 -0.51 0.34 -0.85 0.00 0.00 0.00 175.76 174.65 1ls8 n GLU 141 N 0.28 -0.82 0.00 0.00 0.28 -1.26 -5.04 120.64 114.08 1ls8 n GLU 141 Ca -0.12 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1ls8 n GLU 141 Cb 0.60 -3.71 0.00 0.00 1.43 0.00 0.00 31.44 29.75 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30