#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 -0.11 0.02 4.33 4.20 -2.01 -3.37 115.11 118.17 1ls8 h GLN 2 Ca 0.00 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1ls8 h GLN 2 Cb 0.00 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1ls8 h GLN 2 CO 0.00 0.27 -0.12 1.49 -0.67 0.00 0.00 178.83 179.80 1ls8 h GLU 3 N -0.98 0.04 -0.95 1.46 4.57 -2.02 -3.21 114.58 113.50 1ls8 h GLU 3 Ca -0.01 -0.07 0.16 0.00 -1.18 0.00 0.00 59.36 58.25 1ls8 h GLU 3 Cb 0.42 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.96 1ls8 h GLU 3 CO 0.02 1.02 0.60 0.28 -1.18 0.00 0.00 179.01 179.75 1ls8 h VAL 4 N -0.89 0.81 0.50 0.32 2.07 -1.91 0.17 116.25 117.32 1ls8 h VAL 4 Ca -0.02 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1ls8 h VAL 4 Cb 1.08 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1ls8 h VAL 4 CO 0.02 0.14 -0.24 0.24 0.02 0.00 0.00 177.57 177.75 1ls8 h MET 5 N 0.76 -0.64 -1.01 1.57 2.86 -1.73 -0.28 114.93 116.46 1ls8 h MET 5 Ca 0.50 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 58.29 1ls8 h MET 5 Cb 0.76 0.15 -0.08 0.00 0.06 0.00 0.00 31.60 32.48 1ls8 h MET 5 CO -0.26 -0.40 0.64 -0.22 1.06 0.00 0.00 176.91 177.73 1ls8 h LYS 6 N -0.72 1.00 -0.24 1.72 3.64 -1.35 -3.15 116.57 117.46 1ls8 h LYS 6 Ca -0.07 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 1ls8 h LYS 6 Cb 0.54 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1ls8 h LYS 6 CO 0.11 0.66 -0.03 -0.97 -2.27 0.00 0.00 179.45 176.96 1ls8 h ASN 7 N 1.03 0.44 0.00 4.20 -1.24 -0.17 -2.83 115.58 117.02 1ls8 h ASN 7 Ca 0.49 -0.34 0.00 0.00 0.71 0.00 0.00 56.30 57.16 1ls8 h ASN 7 Cb 0.43 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1ls8 h ASN 7 CO -0.25 0.67 0.03 0.18 -1.29 0.00 0.00 177.43 176.77 1ls8 n LEU 8 N -4.60 0.00 -2.64 0.34 4.77 -0.16 -3.79 117.00 110.91 1ls8 n LEU 8 Ca -0.04 0.37 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 1ls8 n LEU 8 Cb 0.27 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 1ls8 n LEU 8 CO 0.38 -0.37 1.56 -0.24 -1.33 0.00 0.00 177.39 177.39 1ls8 n SER 9 N -1.37 3.39 0.00 -1.43 2.88 -1.07 -4.41 113.62 111.61 1ls8 n SER 9 Ca 0.00 -2.12 0.00 0.00 -1.33 0.00 0.00 58.87 55.42 1ls8 n SER 9 Cb 0.03 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1ls8 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ls8 n LEU 10 N 3.41 0.00 0.23 2.46 -0.00 -1.25 -4.63 117.00 117.23 1ls8 n LEU 10 Ca 0.29 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.42 1ls8 n LEU 10 Cb 0.31 0.00 0.65 0.00 -0.00 0.00 0.00 43.42 44.38 1ls8 n LEU 10 CO 0.40 0.00 0.93 0.78 -0.00 0.00 0.00 177.39 179.50 1ls8 h ASN 11 N 0.00 0.00 0.00 1.45 2.35 -1.91 -0.19 115.58 117.28 1ls8 h ASN 11 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ls8 h ASN 11 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1ls8 h ASN 11 CO 0.00 0.00 0.00 0.33 -1.65 0.00 0.00 177.43 176.11 1ls8 n PHE 12 N -2.44 0.00 0.14 1.19 -0.00 -1.26 -1.85 117.46 113.23 1ls8 n PHE 12 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.43 1ls8 n PHE 12 Cb 0.22 -0.13 0.15 0.00 -0.00 0.00 0.00 39.48 39.71 1ls8 n PHE 12 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1ls8 h GLY 13 N 0.00 0.00 0.83 7.13 0.00 -1.73 -2.06 103.07 107.24 1ls8 h GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ls8 h GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 1ls8 n LYS 14 N -3.61 0.40 -0.00 4.80 4.81 -0.12 -1.00 118.16 123.44 1ls8 n LYS 14 Ca -0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.44 1ls8 n LYS 14 Cb 0.65 -1.42 0.01 0.00 0.02 0.00 0.00 35.03 34.30 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 -0.92 2.42 -0.26 3.14 0.00 -0.77 -4.68 120.51 119.44 1ls8 n ALA 15 Ca 0.08 -0.59 -0.03 0.00 0.00 0.00 0.00 53.44 52.90 1ls8 n ALA 15 Cb 0.04 -0.06 0.14 0.00 0.00 0.00 0.00 19.45 19.57 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 0.32 1.00 -0.97 0.00 5.85 -0.79 -3.05 115.31 117.66 1ls8 h LEU 16 Ca 0.00 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1ls8 h LEU 16 Cb 0.14 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1ls8 h LEU 16 CO 0.00 0.82 0.56 -0.78 -0.34 0.00 0.00 178.44 178.70 1ls8 h ASP 17 N 1.11 1.12 0.19 1.25 1.82 -1.84 0.33 116.42 120.41 1ls8 h ASP 17 Ca 0.28 -0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1ls8 h ASP 17 Cb 0.06 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 39.78 1ls8 h ASP 17 CO -0.04 0.86 -0.12 -0.33 -1.61 0.00 0.00 179.24 178.00 1ls8 h GLU 18 N 1.29 -0.29 -0.94 0.28 5.08 -1.86 -0.28 114.58 117.85 1ls8 h GLU 18 Ca 0.33 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.77 1ls8 h GLU 18 Cb -0.05 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1ls8 h GLU 18 CO -0.06 -0.20 0.62 0.00 -1.00 0.00 0.00 179.01 178.37 1ls8 h LYS 20 N 1.13 0.00 0.04 0.00 1.57 0.22 0.69 116.57 120.21 1ls8 h LYS 20 Ca 0.39 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.99 1ls8 h LYS 20 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1ls8 h LYS 20 CO -0.14 0.05 -0.96 -0.22 -0.57 0.00 0.00 179.45 177.61 1ls8 h LYS 21 N 0.00 0.09 -0.18 3.15 3.11 0.46 0.70 116.57 123.90 1ls8 h LYS 21 Ca -0.00 -0.15 -0.08 0.00 -2.81 0.00 0.00 60.65 57.62 1ls8 h LYS 21 Cb 0.47 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.74 1ls8 h LYS 21 CO 0.01 1.07 -0.23 0.93 -2.81 0.00 0.00 179.45 178.42 1ls8 h GLU 22 N -0.76 0.31 -0.01 1.90 5.08 -0.42 -2.82 114.58 117.88 1ls8 h GLU 22 Ca -0.24 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1ls8 h GLU 22 Cb 1.38 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1ls8 h GLU 22 CO -0.06 0.53 -0.44 -1.33 -1.00 0.00 0.00 179.01 176.71 1ls8 n MET 23 N -4.17 1.84 -3.00 2.33 2.81 0.21 -5.03 117.12 112.12 1ls8 n MET 23 Ca -0.01 -0.55 -0.12 0.00 -1.81 0.00 0.00 57.70 55.22 1ls8 n MET 23 Cb 0.36 -1.24 0.06 0.00 -0.71 0.00 0.00 33.22 31.69 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 -0.51 -4.52 -0.28 2.03 -1.04 -0.79 -5.02 114.28 104.15 1ls8 n THR 24 Ca 0.05 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 1ls8 n THR 24 Cb 0.30 -4.40 0.00 0.00 -1.82 0.00 0.00 70.33 64.41 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 -3.19 0.00 0.00 -4.42 4.77 0.17 -4.99 117.00 109.34 1ls8 n LEU 25 Ca -0.19 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.75 1ls8 n LEU 25 Cb 0.62 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.69 1ls8 n LEU 25 CO 0.43 0.00 -0.00 0.35 -1.33 0.00 0.00 177.39 176.84 1ls8 n THR 26 N 0.00 0.00 0.84 -5.08 -2.24 -1.26 -4.97 114.28 101.57 1ls8 n THR 26 Ca 0.00 -0.51 0.12 0.00 -2.27 0.00 0.00 64.05 61.39 1ls8 n THR 26 Cb 0.00 0.27 0.23 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.50 2.81 -0.02 3.42 2.03 -1.26 -4.28 116.55 116.75 1ls8 n ASP 27 Ca 0.01 -1.90 -0.16 0.00 0.52 0.00 0.00 54.79 53.26 1ls8 n ASP 27 Cb 0.14 -0.11 -0.08 0.00 -0.72 0.00 0.00 41.12 40.35 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ls8 h ALA 28 N 4.51 0.22 -0.14 -1.67 0.00 -2.03 -3.19 119.26 116.96 1ls8 h ALA 28 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ls8 h ALA 28 Cb 0.87 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ls8 h ALA 28 CO 0.00 0.46 0.08 -0.84 0.00 0.00 0.00 179.25 178.96 1ls8 h ILE 29 N 0.23 1.04 0.00 0.00 3.07 -1.96 -1.26 117.51 118.63 1ls8 h ILE 29 Ca -0.04 -0.09 -0.02 0.00 1.55 0.00 0.00 64.86 66.26 1ls8 h ILE 29 Cb 1.23 0.85 -0.00 0.00 -0.27 0.00 0.00 36.82 38.63 1ls8 h ILE 29 CO 0.12 0.04 -0.07 0.78 -1.05 0.00 0.00 178.15 177.97 1ls8 h ASN 30 N 0.19 0.00 -0.04 2.16 4.21 -1.81 -0.49 115.58 119.80 1ls8 h ASN 30 Ca 0.05 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.59 1ls8 h ASN 30 Cb -0.01 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.16 1ls8 h ASN 30 CO -0.01 0.07 -0.12 -0.08 -1.29 0.00 0.00 177.43 176.01 1ls8 h GLU 31 N 0.00 -0.17 -0.08 0.81 4.81 -1.36 -2.72 114.58 115.87 1ls8 h GLU 31 Ca -0.00 0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.03 1ls8 h GLU 31 Cb 0.24 0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.67 1ls8 h GLU 31 CO 0.01 -0.11 -0.79 -0.44 -0.73 0.00 0.00 179.01 176.95 1ls8 h ASP 32 N -0.18 0.84 -0.79 1.04 3.32 -1.43 -3.25 116.42 115.96 1ls8 h ASP 32 Ca 0.06 -0.68 0.03 0.00 0.02 0.00 0.00 57.03 56.46 1ls8 h ASP 32 Cb 0.26 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1ls8 h ASP 32 CO -0.15 1.39 0.52 -0.26 -1.72 0.00 0.00 179.24 179.03 1ls8 h PHE 33 N 0.36 0.94 0.26 4.55 0.04 -1.07 -2.35 116.94 119.67 1ls8 h PHE 33 Ca -0.07 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1ls8 h PHE 33 Cb 1.44 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 1ls8 h PHE 33 CO 0.10 0.55 -0.18 1.88 -0.60 0.00 0.00 178.31 180.06 1ls8 h TYR 34 N 0.98 -0.49 -1.07 -0.55 0.05 -1.52 -3.40 116.97 110.96 1ls8 h TYR 34 Ca 0.32 -0.00 0.13 0.00 0.05 0.00 0.00 58.73 59.23 1ls8 h TYR 34 Cb 0.04 0.18 -0.21 0.00 1.01 0.00 0.00 36.73 37.75 1ls8 h TYR 34 CO -0.00 -0.26 -0.06 1.21 -1.05 0.00 0.00 178.16 178.00 1ls8 s ASN 35 N -2.90 -0.99 0.48 3.88 2.47 -0.89 -4.61 114.94 112.38 1ls8 s ASN 35 Ca -0.07 0.89 0.20 0.00 0.42 0.00 0.00 52.86 54.30 1ls8 s ASN 35 Cb 0.01 1.94 1.22 0.00 -1.45 0.00 0.00 41.25 42.97 1ls8 s ASN 35 CO 0.22 -0.19 1.95 -0.26 -3.72 0.00 0.00 177.10 175.10 1ls8 h PHE 36 N 7.91 0.25 0.00 0.43 0.04 -1.82 -3.44 116.94 120.31 1ls8 h PHE 36 Ca -0.19 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1ls8 h PHE 36 Cb 1.14 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1ls8 h PHE 36 CO 0.13 0.10 0.00 1.87 -0.60 0.00 0.00 178.31 179.80 1ls8 n TRP 37 N -4.43 0.00 -1.79 -0.55 -0.00 -1.26 -4.82 117.44 104.60 1ls8 n TRP 37 Ca 0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.21 1ls8 n TRP 37 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.86 1ls8 n TRP 37 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 1ls8 s LYS 38 N 0.00 4.14 0.32 5.87 0.00 -1.26 -4.92 119.74 123.89 1ls8 s LYS 38 Ca 0.00 2.55 0.23 0.00 0.00 0.00 0.00 55.97 58.75 1ls8 s LYS 38 Cb 0.00 -3.06 0.18 0.00 0.00 0.00 0.00 37.83 34.95 1ls8 s LYS 38 CO 0.00 -0.67 1.34 1.05 0.00 0.00 0.00 175.35 177.08 1ls8 h GLU 39 N 5.86 0.00 0.00 1.78 4.11 -1.96 -3.40 114.58 120.97 1ls8 h GLU 39 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1ls8 h GLU 39 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1ls8 h GLU 39 CO 0.87 0.00 -0.18 0.41 0.07 0.00 0.00 179.01 180.18 1ls8 n GLY 40 N 1.14 1.11 2.84 1.06 0.00 -1.26 -4.87 105.19 105.22 1ls8 n GLY 40 Ca 0.02 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.85 1.67 -0.13 1.61 5.04 -1.26 -5.11 117.35 118.32 1ls8 s TYR 41 Ca 0.08 -1.24 -0.29 0.00 -2.44 0.00 0.00 57.07 53.17 1ls8 s TYR 41 Cb 0.07 -1.29 -0.01 0.00 0.35 0.00 0.00 41.96 41.08 1ls8 s TYR 41 CO 0.01 -0.67 1.10 -2.00 -1.34 0.00 0.00 175.55 172.65 1ls8 s GLU 42 N 1.64 4.34 0.38 4.97 2.12 -1.26 -4.84 118.70 126.05 1ls8 s GLU 42 Ca -0.03 1.50 -0.27 0.00 0.36 0.00 0.00 54.97 56.54 1ls8 s GLU 42 Cb -0.17 -3.60 -0.11 0.00 0.26 0.00 0.00 34.13 30.50 1ls8 s GLU 42 CO -0.07 -0.48 1.23 -0.89 -0.54 0.00 0.00 175.26 174.51 1ls8 n ILE 43 N 4.86 2.27 0.18 -3.70 -0.00 -1.26 -4.93 119.36 116.77 1ls8 n ILE 43 Ca 0.11 -0.50 0.04 0.00 -0.00 0.00 0.00 62.75 62.40 1ls8 n ILE 43 Cb 0.47 -1.48 0.30 0.00 -0.00 0.00 0.00 39.64 38.93 1ls8 n ILE 43 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 1ls8 h LYS 44 N 2.21 0.00 -5.96 0.38 1.57 -2.05 -3.45 116.57 109.27 1ls8 h LYS 44 Ca -0.46 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.66 1ls8 h LYS 44 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1ls8 h LYS 44 CO 0.61 0.43 1.43 -1.71 -0.57 0.00 0.00 179.45 179.64 1ls8 n ASN 45 N -3.63 2.15 0.15 0.86 2.85 -1.26 -4.85 115.26 111.52 1ls8 n ASN 45 Ca -0.01 0.37 0.11 0.00 -0.11 0.00 0.00 54.58 54.95 1ls8 n ASN 45 Cb 0.53 -1.28 0.06 0.00 1.24 0.00 0.00 39.78 40.33 1ls8 n ASN 45 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1ls8 h ARG 46 N 12.69 0.00 -0.26 1.20 2.47 -1.97 -3.35 114.38 125.16 1ls8 h ARG 46 Ca -0.27 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.48 1ls8 h ARG 46 Cb 1.32 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.62 1ls8 h ARG 46 CO 1.03 0.03 0.17 0.93 0.56 0.00 0.00 179.97 182.69 1ls8 h GLU 47 N 0.00 0.22 0.24 0.04 5.08 -1.98 0.02 114.58 118.20 1ls8 h GLU 47 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1ls8 h GLU 47 Cb 1.04 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1ls8 h GLU 47 CO 0.00 0.14 -0.12 1.15 -1.00 0.00 0.00 179.01 179.19 1ls8 h THR 48 N 0.22 0.00 0.00 1.13 2.02 -1.91 -0.52 112.91 113.85 1ls8 h THR 48 Ca 0.11 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1ls8 h THR 48 Cb 0.15 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 1ls8 h THR 48 CO -0.02 0.00 -0.06 1.23 0.37 0.00 0.00 175.52 177.04 1ls8 h GLY 49 N -0.33 0.00 0.96 2.16 0.00 -1.73 0.13 103.07 104.26 1ls8 h GLY 49 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1ls8 h GLY 49 CO 0.05 0.00 0.12 0.00 0.00 0.00 0.00 176.54 176.72 1ls8 h ALA 51 N 1.02 0.59 -0.62 0.00 0.00 0.38 -1.67 119.26 118.97 1ls8 h ALA 51 Ca 0.07 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1ls8 h ALA 51 Cb 0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1ls8 h ALA 51 CO -0.01 0.53 0.34 0.82 0.00 0.00 0.00 179.25 180.93 1ls8 h ILE 52 N 0.69 0.98 0.20 0.00 2.04 -0.68 -0.33 117.51 120.41 1ls8 h ILE 52 Ca 0.10 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1ls8 h ILE 52 Cb 0.73 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1ls8 h ILE 52 CO 0.06 0.12 -0.09 -0.03 0.00 0.00 0.00 178.15 178.20 1ls8 h MET 53 N 0.65 -0.26 -0.50 2.37 4.05 -1.20 -2.73 114.93 117.32 1ls8 h MET 53 Ca 0.27 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.81 1ls8 h MET 53 Cb 0.15 0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 30.93 1ls8 h MET 53 CO -0.17 -0.06 0.02 0.00 0.23 0.00 0.00 176.91 176.93 1ls8 h LEU 55 N 0.13 -1.42 -1.03 0.00 3.38 -1.03 0.29 115.31 115.63 1ls8 h LEU 55 Ca 0.25 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.40 1ls8 h LEU 55 Cb 0.37 0.52 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 1ls8 h LEU 55 CO -0.40 -0.55 0.65 0.28 0.09 0.00 0.00 178.44 178.52 1ls8 h SER 56 N -0.75 1.11 0.01 -0.43 0.02 -1.00 -0.38 113.55 112.13 1ls8 h SER 56 Ca -0.00 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1ls8 h SER 56 Cb 0.75 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 1ls8 h SER 56 CO -0.24 0.78 -0.21 0.74 -1.14 0.00 0.00 176.83 176.75 1ls8 h THR 57 N 1.29 0.50 0.00 -2.27 2.02 -0.71 0.16 112.91 113.90 1ls8 h THR 57 Ca 0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.56 1ls8 h THR 57 Cb -0.06 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1ls8 h THR 57 CO -0.10 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.08 1ls8 n LYS 58 N -5.34 0.06 -0.15 6.66 4.76 0.05 -1.57 118.16 122.63 1ls8 n LYS 58 Ca -0.05 0.33 0.05 0.00 -2.87 0.00 0.00 58.31 55.77 1ls8 n LYS 58 Cb 0.25 -1.61 0.12 0.00 -1.84 0.00 0.00 35.03 31.95 1ls8 n LYS 58 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ls8 n LEU 59 N -1.72 2.71 -3.65 -0.35 4.77 -0.28 -5.01 117.00 113.48 1ls8 n LEU 59 Ca 0.03 -2.29 -0.28 0.00 -0.03 0.00 0.00 56.01 53.45 1ls8 n LEU 59 Cb 0.17 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1ls8 n LEU 59 CO 0.14 0.65 0.02 0.59 -1.33 0.00 0.00 177.39 177.45 1ls8 n ASN 60 N -0.20 -4.22 -0.01 -1.43 5.03 -0.44 -4.89 115.26 109.10 1ls8 n ASN 60 Ca 0.10 -0.60 0.09 0.00 0.87 0.00 0.00 54.58 55.04 1ls8 n ASN 60 Cb 0.47 -3.43 -0.15 0.00 -1.02 0.00 0.00 39.78 35.65 1ls8 n ASN 60 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 1ls8 n MET 61 N -4.16 0.59 -4.06 3.52 1.56 0.43 -4.83 117.12 110.17 1ls8 n MET 61 Ca 0.01 -0.17 -0.32 0.00 -0.27 0.00 0.00 57.70 56.95 1ls8 n MET 61 Cb 0.53 -1.46 -0.15 0.00 2.15 0.00 0.00 33.22 34.29 1ls8 n MET 61 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1ls8 s LEU 62 N -4.36 3.76 1.03 -0.89 1.43 -1.24 -3.95 118.68 114.46 1ls8 s LEU 62 Ca -0.07 -1.58 -0.13 0.00 -1.03 0.00 0.00 54.13 51.33 1ls8 s LEU 62 Cb 0.12 -1.57 0.16 0.00 0.03 0.00 0.00 46.19 44.93 1ls8 s LEU 62 CO 0.80 -0.24 0.80 0.47 0.23 0.00 0.00 176.35 178.42 1ls8 n ASP 63 N 4.39 -1.15 -2.08 2.29 9.92 -1.17 -4.75 116.55 124.00 1ls8 n ASP 63 Ca -0.10 0.15 -0.01 0.00 -0.53 0.00 0.00 54.79 54.30 1ls8 n ASP 63 Cb 0.42 -1.29 -0.02 0.00 -0.64 0.00 0.00 41.12 39.60 1ls8 n ASP 63 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1ls8 n PRO 64 N -3.64 0.33 0.10 -0.24 -0.02 -1.26 -2.65 135.00 127.62 1ls8 n PRO 64 Ca 0.07 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1ls8 n PRO 64 Cb 0.54 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 1ls8 n PRO 64 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ls8 n GLU 65 N 2.28 0.00 0.00 -0.52 1.02 -1.26 -5.08 120.64 117.08 1ls8 n GLU 65 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1ls8 n GLU 65 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 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 0.58 0.37 3.01 0.62 0.00 -1.08 -5.17 105.19 103.51 1ls8 n GLY 66 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.86 0.60 1.61 0.01 -1.26 -5.03 114.94 111.72 1ls8 s ASN 67 Ca 0.00 -0.21 -0.18 0.00 -0.71 0.00 0.00 52.86 51.76 1ls8 s ASN 67 Cb 0.00 -0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.56 1ls8 s ASN 67 CO 0.00 0.04 1.16 -0.22 -1.51 0.00 0.00 177.10 176.56 1ls8 s LEU 68 N -0.43 3.62 0.29 0.60 2.96 -1.26 -3.04 118.68 121.43 1ls8 s LEU 68 Ca 0.01 2.22 0.03 0.00 -0.22 0.00 0.00 54.13 56.17 1ls8 s LEU 68 Cb -0.04 -4.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.04 1ls8 s LEU 68 CO -0.00 -1.49 0.45 -2.28 -1.32 0.00 0.00 176.35 171.71 1ls8 s HIS 69 N -1.84 3.45 -0.11 5.38 5.65 -1.25 -4.98 115.29 121.59 1ls8 s HIS 69 Ca 0.73 0.14 -0.08 0.00 0.25 0.00 0.00 55.06 56.10 1ls8 s HIS 69 Cb -0.26 -1.74 -0.07 0.00 -1.18 0.00 0.00 32.58 29.33 1ls8 s HIS 69 CO 0.33 0.27 0.20 1.25 -0.65 0.00 0.00 174.74 176.14 1ls8 h HIS 70 N 0.96 0.00 -0.32 3.88 2.76 -1.98 -3.32 115.15 117.14 1ls8 h HIS 70 Ca -0.51 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 57.56 1ls8 h HIS 70 Cb 1.23 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.18 1ls8 h HIS 70 CO 0.47 0.27 -0.22 0.78 -1.30 0.00 0.00 177.93 177.93 1ls8 h GLY 71 N -1.00 0.78 0.95 5.26 0.00 -1.98 -0.10 103.07 106.98 1ls8 h GLY 71 Ca -0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.58 1ls8 h GLY 71 CO -0.00 0.67 0.14 3.43 0.00 0.00 0.00 176.54 180.78 1ls8 h ASN 72 N 0.48 0.30 0.08 0.19 4.21 -1.94 -1.27 115.58 117.64 1ls8 h ASN 72 Ca 0.06 -0.08 -0.12 0.00 1.21 0.00 0.00 56.30 57.38 1ls8 h ASN 72 Cb 0.77 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.88 1ls8 h ASN 72 CO 0.06 0.30 -0.39 0.00 -1.29 0.00 0.00 177.43 176.11 1ls8 h ALA 73 N 1.02 0.99 -0.22 -0.83 0.00 -1.64 -2.89 119.26 115.70 1ls8 h ALA 73 Ca 0.09 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1ls8 h ALA 73 Cb 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1ls8 h ALA 73 CO -0.01 0.61 -0.10 1.98 0.00 0.00 0.00 179.25 181.73 1ls8 h MET 74 N 0.34 -0.07 -0.66 0.00 1.85 -0.61 -3.14 114.93 112.63 1ls8 h MET 74 Ca 0.03 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.14 1ls8 h MET 74 Cb 0.84 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.85 1ls8 h MET 74 CO 0.07 -0.05 0.44 0.93 -0.40 0.00 0.00 176.91 177.90 1ls8 h GLU 75 N -0.07 0.86 -0.42 0.39 4.39 -1.02 -0.05 114.58 118.65 1ls8 h GLU 75 Ca 0.12 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1ls8 h GLU 75 Cb 0.25 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1ls8 h GLU 75 CO -0.27 0.57 0.03 0.35 -1.16 0.00 0.00 179.01 178.53 1ls8 h PHE 76 N 0.88 0.78 -0.11 4.33 3.04 -1.55 -3.05 116.94 121.27 1ls8 h PHE 76 Ca 0.25 -0.12 -0.21 0.00 3.98 0.00 0.00 57.97 61.86 1ls8 h PHE 76 Cb -0.08 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 38.23 1ls8 h PHE 76 CO -0.00 0.77 -0.80 0.00 -2.02 0.00 0.00 178.31 176.26 1ls8 h ALA 77 N 0.91 0.39 0.00 2.41 0.00 -1.35 -3.17 119.26 118.45 1ls8 h ALA 77 Ca 0.12 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ls8 h ALA 77 Cb 0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ls8 h ALA 77 CO 0.02 0.72 -0.01 1.57 0.00 0.00 0.00 179.25 181.54 1ls8 h LYS 78 N 0.42 0.00 -0.22 0.00 5.09 -1.00 -2.72 116.57 118.14 1ls8 h LYS 78 Ca -0.05 0.00 0.07 0.00 0.09 0.00 0.00 60.65 60.75 1ls8 h LYS 78 Cb 1.41 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.73 1ls8 h LYS 78 CO 0.15 0.01 0.30 -0.22 -2.09 0.00 0.00 179.45 177.60 1ls8 h LYS 79 N 0.00 0.00 0.00 0.07 3.64 -1.50 -1.24 116.57 117.53 1ls8 h LYS 79 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ls8 h LYS 79 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1ls8 h LYS 79 CO 0.00 0.00 -0.00 0.72 -2.27 0.00 0.00 179.45 177.90 1ls8 n HIS 80 N -3.59 0.00 -2.83 1.91 8.25 -1.03 -5.02 115.22 112.91 1ls8 n HIS 80 Ca 0.03 -0.48 -0.10 0.00 -0.26 0.00 0.00 57.72 56.91 1ls8 n HIS 80 Cb 0.43 -0.05 0.05 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.48 -0.02 3.50 -1.41 0.00 -0.47 -4.90 105.19 101.41 1ls8 n GLY 81 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1ls8 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ls8 n ALA 82 N -2.82 -2.42 -1.82 4.61 0.00 -1.16 -4.97 120.51 111.92 1ls8 n ALA 82 Ca -0.17 -0.98 -0.38 0.00 0.00 0.00 0.00 53.44 51.92 1ls8 n ALA 82 Cb 0.60 -1.99 -0.06 0.00 0.00 0.00 0.00 19.45 17.99 1ls8 n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ls8 s ASP 83 N -2.39 7.38 0.17 0.00 1.01 -1.26 -4.94 116.67 116.64 1ls8 s ASP 83 Ca 0.66 1.81 -0.08 0.00 0.71 0.00 0.00 52.55 55.65 1ls8 s ASP 83 Cb -0.23 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.17 1ls8 s ASP 83 CO 0.63 0.01 1.52 1.05 0.21 0.00 0.00 175.17 178.59 1ls8 h GLU 84 N 3.49 0.85 0.19 8.23 4.11 -1.99 0.04 114.58 129.50 1ls8 h GLU 84 Ca -0.46 -0.43 0.01 0.00 0.07 0.00 0.00 59.36 58.55 1ls8 h GLU 84 Cb 1.19 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1ls8 h GLU 84 CO 0.66 1.07 -0.36 1.15 0.07 0.00 0.00 179.01 181.59 1ls8 h THR 85 N 0.70 0.25 -0.38 -1.06 2.02 -1.98 -0.05 112.91 112.39 1ls8 h THR 85 Ca 0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 1ls8 h THR 85 Cb 0.94 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1ls8 h THR 85 CO 0.09 0.00 0.08 -0.03 0.37 0.00 0.00 175.52 176.02 1ls8 h MET 86 N -0.64 0.63 -0.57 6.66 1.85 -1.81 0.95 114.93 121.99 1ls8 h MET 86 Ca 0.01 -0.16 -0.00 0.00 -0.61 0.00 0.00 59.70 58.94 1ls8 h MET 86 Cb 0.64 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.57 1ls8 h MET 86 CO -0.17 0.67 0.34 0.00 -0.40 0.00 0.00 176.91 177.36 1ls8 h ALA 87 N 0.93 0.73 0.14 0.39 0.00 -0.95 -0.07 119.26 120.41 1ls8 h ALA 87 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ls8 h ALA 87 Cb 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ls8 h ALA 87 CO 0.00 0.21 -0.07 0.37 0.00 0.00 0.00 179.25 179.76 1ls8 h GLN 88 N 0.77 -0.18 -0.76 0.00 -0.00 -0.57 -2.53 115.11 111.84 1ls8 h GLN 88 Ca 0.20 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.86 1ls8 h GLN 88 Cb -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 27.48 27.46 1ls8 h GLN 88 CO -0.04 -0.07 0.44 1.96 0.00 0.00 0.00 178.83 181.12 1ls8 h GLN 89 N -0.24 1.04 0.00 1.69 4.20 -0.63 -0.81 115.11 120.36 1ls8 h GLN 89 Ca -0.02 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1ls8 h GLN 89 Cb 0.19 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1ls8 h GLN 89 CO 0.03 0.75 0.00 -0.07 -0.67 0.00 0.00 178.83 178.87 1ls8 h LEU 90 N 1.04 0.00 0.00 1.46 4.07 -0.78 0.28 115.31 121.38 1ls8 h LEU 90 Ca 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.20 1ls8 h LEU 90 Cb -0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.73 1ls8 h LEU 90 CO -0.05 0.00 -0.21 0.40 -1.08 0.00 0.00 178.44 177.50 1ls8 h ILE 91 N 0.00 0.67 -0.12 1.22 2.04 -0.95 -3.36 117.51 117.01 1ls8 h ILE 91 Ca 0.00 -1.56 -0.09 0.00 1.00 0.00 0.00 64.86 64.22 1ls8 h ILE 91 Cb 0.23 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1ls8 h ILE 91 CO 0.00 0.23 -0.31 -0.78 0.00 0.00 0.00 178.15 177.29 1ls8 h ASP 92 N -1.00 0.24 -0.08 1.72 3.58 -0.18 -1.88 116.42 118.82 1ls8 h ASP 92 Ca -0.04 -0.08 0.04 0.00 0.42 0.00 0.00 57.03 57.37 1ls8 h ASP 92 Cb 0.53 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.46 1ls8 h ASP 92 CO -0.02 0.54 -0.27 0.40 -2.88 0.00 0.00 179.24 177.01 1ls8 h ILE 93 N 0.21 0.37 -0.37 2.25 2.04 -0.71 0.14 117.51 121.43 1ls8 h ILE 93 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.92 1ls8 h ILE 93 Cb 0.65 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1ls8 h ILE 93 CO 0.05 0.00 0.19 0.58 0.00 0.00 0.00 178.15 178.96 1ls8 h VAL 94 N -0.37 0.98 -0.54 1.67 2.07 -1.52 0.43 116.25 118.97 1ls8 h VAL 94 Ca 0.08 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1ls8 h VAL 94 Cb 0.50 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1ls8 h VAL 94 CO -0.29 0.07 0.32 -0.74 0.02 0.00 0.00 177.57 176.95 1ls8 h HIS 95 N 0.38 0.60 -0.75 1.57 -0.00 -1.02 0.20 115.15 116.14 1ls8 h HIS 95 Ca 0.16 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.53 1ls8 h HIS 95 Cb 0.07 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.25 1ls8 h HIS 95 CO -0.10 0.35 0.41 0.78 -0.00 0.00 0.00 177.93 179.36 1ls8 h GLY 96 N 0.64 1.12 0.85 5.26 0.00 -0.17 -0.95 103.07 109.82 1ls8 h GLY 96 Ca 0.22 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1ls8 h GLY 96 CO -0.09 0.49 -0.10 0.00 0.00 0.00 0.00 176.54 176.84 1ls8 h GLU 98 N 0.24 0.06 0.04 0.00 5.08 -0.40 0.23 114.58 119.83 1ls8 h GLU 98 Ca 0.06 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.19 1ls8 h GLU 98 Cb 0.59 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1ls8 h GLU 98 CO 0.03 0.04 -1.02 0.87 -1.00 0.00 0.00 179.01 177.93 1ls8 h LYS 99 N 0.07 0.19 0.04 2.33 1.57 -1.03 -3.32 116.57 116.42 1ls8 h LYS 99 Ca 0.06 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1ls8 h LYS 99 Cb 0.15 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1ls8 h LYS 99 CO -0.01 1.06 -0.02 1.03 -0.57 0.00 0.00 179.45 180.94 1ls8 h SER 100 N 0.08 -0.04 -2.81 0.86 0.87 -0.81 -3.45 113.55 108.24 1ls8 h SER 100 Ca -0.07 -0.64 -0.56 0.00 -1.23 0.00 0.00 61.79 59.30 1ls8 h SER 100 Cb 1.71 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.66 1ls8 h SER 100 CO 0.16 0.71 0.95 -0.89 -0.53 0.00 0.00 176.83 177.22 1ls8 s THR 101 N -2.72 3.95 0.70 2.23 2.01 0.73 -5.03 115.64 117.51 1ls8 s THR 101 Ca -0.15 1.19 -0.12 0.00 0.31 0.00 0.00 61.69 62.93 1ls8 s THR 101 Cb -0.01 -3.77 0.18 0.00 0.01 0.00 0.00 72.50 68.91 1ls8 s THR 101 CO 0.54 -0.08 0.54 -0.81 -0.69 0.00 0.00 174.62 174.12 1ls8 n PRO 102 N 6.54 -2.62 -0.92 4.92 -0.04 -1.26 -4.72 135.00 136.89 1ls8 n PRO 102 Ca 0.15 -0.87 -0.30 0.00 -0.04 0.00 0.00 63.50 62.44 1ls8 n PRO 102 Cb 0.44 -0.91 0.17 0.00 -0.04 0.00 0.00 33.50 33.16 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 -2.68 1.02 0.11 0.55 0.00 -1.26 -4.96 121.76 114.54 1ls8 s ALA 103 Ca 0.37 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1ls8 s ALA 103 Cb -0.05 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1ls8 s ALA 103 CO 0.29 -2.82 -0.00 1.21 0.00 0.00 0.00 175.76 174.44 1ls8 s ASN 104 N -3.02 0.73 0.00 0.00 2.47 -1.26 -5.01 114.94 108.85 1ls8 s ASN 104 Ca 0.65 -1.11 0.12 0.00 0.42 0.00 0.00 52.86 52.95 1ls8 s ASN 104 Cb -0.21 0.19 0.71 0.00 -1.45 0.00 0.00 41.25 40.49 1ls8 s ASN 104 CO 0.59 -0.61 1.32 -0.67 -3.72 0.00 0.00 177.10 174.01 1ls8 n ASP 105 N -0.07 0.00 -3.64 -4.21 2.03 -1.26 -4.52 116.55 104.89 1ls8 n ASP 105 Ca -0.09 -1.28 -0.20 0.00 0.52 0.00 0.00 54.79 53.74 1ls8 n ASP 105 Cb 0.62 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.86 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 -1.55 1.25 0.62 1.67 -1.08 -1.26 -5.02 116.67 111.30 1ls8 s ASP 106 Ca 0.18 0.01 0.32 0.00 -0.52 0.00 0.00 52.55 52.54 1ls8 s ASP 106 Cb 0.08 0.04 1.82 0.00 -1.46 0.00 0.00 42.92 43.41 1ls8 s ASP 106 CO 0.14 -0.27 2.14 0.11 0.52 0.00 0.00 175.17 177.80 1ls8 h LYS 107 N 8.40 0.00 -0.02 4.34 6.56 -1.99 -0.50 116.57 133.35 1ls8 h LYS 107 Ca -0.13 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.44 1ls8 h LYS 107 Cb 1.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 1ls8 h LYS 107 CO 0.19 0.00 -0.05 0.00 -2.06 0.00 0.00 179.45 177.53 1ls8 h ILE 109 N -0.47 1.23 -0.05 0.00 5.03 -1.75 0.70 117.51 122.19 1ls8 h ILE 109 Ca 0.00 -0.48 0.01 0.00 -0.12 0.00 0.00 64.86 64.27 1ls8 h ILE 109 Cb 0.63 0.07 -0.01 0.00 -3.03 0.00 0.00 36.82 34.48 1ls8 h ILE 109 CO 0.01 0.23 -0.02 -0.25 -0.68 0.00 0.00 178.15 177.45 1ls8 h TRP 110 N 1.12 -0.04 0.87 1.37 7.01 -1.02 -2.20 115.95 123.06 1ls8 h TRP 110 Ca 0.29 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.26 1ls8 h TRP 110 Cb -0.06 0.03 0.01 0.00 -2.10 0.00 0.00 29.16 27.03 1ls8 h TRP 110 CO -0.01 -0.03 -0.44 1.15 -2.79 0.00 0.00 178.44 176.32 1ls8 h THR 111 N -0.01 0.10 -0.73 2.65 2.02 -0.68 -3.01 112.91 113.25 1ls8 h THR 111 Ca 0.03 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.34 1ls8 h THR 111 Cb 0.05 0.10 -0.13 0.00 -1.74 0.00 0.00 68.15 66.42 1ls8 h THR 111 CO -0.06 0.00 -0.31 -0.07 0.37 0.00 0.00 175.52 175.45 1ls8 h LEU 112 N -1.20 -1.12 -1.17 2.58 3.38 -0.74 0.43 115.31 117.46 1ls8 h LEU 112 Ca -0.12 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ls8 h LEU 112 Cb 0.93 0.60 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1ls8 h LEU 112 CO 0.18 -0.29 0.00 1.23 0.09 0.00 0.00 178.44 179.65 1ls8 h GLY 113 N -0.09 0.00 1.07 0.83 0.00 -1.39 0.99 103.07 104.49 1ls8 h GLY 113 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.34 1ls8 h GLY 113 CO -0.78 0.00 -1.25 -2.08 0.00 0.00 0.00 176.54 172.43 1ls8 h VAL 114 N 0.00 1.36 -0.41 4.60 2.07 -1.00 -3.19 116.25 119.67 1ls8 h VAL 114 Ca 0.00 -2.63 -0.06 0.00 0.82 0.00 0.00 66.70 64.83 1ls8 h VAL 114 Cb 0.51 3.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 1ls8 h VAL 114 CO 0.00 0.78 0.01 0.00 0.02 0.00 0.00 177.57 178.38 1ls8 h ALA 115 N 0.13 1.26 0.01 1.67 0.00 0.10 0.12 119.26 122.55 1ls8 h ALA 115 Ca -0.22 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ls8 h ALA 115 Cb 1.99 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1ls8 h ALA 115 CO 0.24 0.50 -0.00 1.79 0.00 0.00 0.00 179.25 181.77 1ls8 h THR 116 N 0.62 1.49 -0.89 0.00 1.35 -1.04 -3.17 112.91 111.28 1ls8 h THR 116 Ca 0.13 -1.51 0.07 0.00 -0.55 0.00 0.00 66.41 64.55 1ls8 h THR 116 Cb 0.37 2.51 -0.07 0.00 -1.73 0.00 0.00 68.15 69.23 1ls8 h THR 116 CO 0.01 0.39 0.55 0.00 -0.25 0.00 0.00 175.52 176.22 1ls8 h PHE 118 N 0.97 0.84 -0.30 0.00 3.04 -0.84 -0.85 116.94 119.80 1ls8 h PHE 118 Ca 0.40 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.34 1ls8 h PHE 118 Cb 0.23 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 1ls8 h PHE 118 CO -0.03 0.31 0.03 -0.22 -2.02 0.00 0.00 178.31 176.38 1ls8 h LYS 119 N 0.75 0.50 -0.65 1.11 1.63 -1.32 -3.04 116.57 115.56 1ls8 h LYS 119 Ca 0.42 -0.14 -0.06 0.00 -0.85 0.00 0.00 60.65 60.01 1ls8 h LYS 119 Cb 0.44 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 1ls8 h LYS 119 CO -0.28 0.62 0.17 0.00 -3.45 0.00 0.00 179.45 176.52 1ls8 h ALA 120 N 0.86 0.85 -0.86 5.00 0.00 -0.73 -2.28 119.26 122.10 1ls8 h ALA 120 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ls8 h ALA 120 Cb 0.37 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1ls8 h ALA 120 CO 0.01 0.55 0.56 0.93 0.00 0.00 0.00 179.25 181.30 1ls8 h GLU 121 N 0.95 1.15 -0.07 0.00 4.39 -1.25 -1.23 114.58 118.51 1ls8 h GLU 121 Ca 0.20 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.85 1ls8 h GLU 121 Cb 0.34 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1ls8 h GLU 121 CO -0.00 0.77 0.10 0.82 -1.16 0.00 0.00 179.01 179.54 1ls8 h ILE 122 N 1.17 0.38 0.02 3.13 1.08 -1.29 -0.73 117.51 121.27 1ls8 h ILE 122 Ca 0.31 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.78 1ls8 h ILE 122 Cb -0.11 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1ls8 h ILE 122 CO -0.07 0.00 -0.01 -0.74 -0.69 0.00 0.00 178.15 176.65 1ls8 h HIS 123 N 0.00 -0.02 -0.57 1.37 2.76 -1.01 -1.08 115.15 116.61 1ls8 h HIS 123 Ca 0.03 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1ls8 h HIS 123 Cb 0.23 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 1ls8 h HIS 123 CO 0.00 0.74 0.37 1.57 -1.30 0.00 0.00 177.93 179.31 1ls8 h LYS 124 N -0.87 0.75 0.00 5.26 2.10 -1.19 -1.89 116.57 120.73 1ls8 h LYS 124 Ca -0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1ls8 h LYS 124 Cb 0.77 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1ls8 h LYS 124 CO 0.00 0.50 0.00 1.28 -2.00 0.00 0.00 179.45 179.23 1ls8 n LEU 125 N -4.45 0.45 0.00 7.07 4.77 -0.32 -4.87 117.00 119.66 1ls8 n LEU 125 Ca 0.05 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1ls8 n LEU 125 Cb 0.05 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1ls8 n LEU 125 CO 0.36 -0.45 0.00 -3.20 -1.33 0.00 0.00 177.39 172.77 1ls8 n ASN 126 N -2.00 -3.84 -1.87 -1.43 2.85 -0.71 -4.91 115.26 103.35 1ls8 n ASN 126 Ca 0.03 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.33 1ls8 n ASN 126 Cb 0.22 -1.40 0.05 0.00 1.24 0.00 0.00 39.78 39.89 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 -2.69 1.63 -3.26 1.20 8.01 -0.46 -4.61 117.44 117.27 1ls8 n TRP 127 Ca 0.00 -1.88 -0.27 0.00 -1.31 0.00 0.00 57.50 54.05 1ls8 n TRP 127 Cb 0.15 -0.92 -0.07 0.00 -2.01 0.00 0.00 31.31 28.47 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 0.16 4.08 1.50 6.99 0.00 -1.26 -4.85 120.51 127.12 1ls8 n ALA 128 Ca 0.32 -4.62 0.10 0.00 0.00 0.00 0.00 53.44 49.24 1ls8 n ALA 128 Cb 0.68 -0.85 0.60 0.00 0.00 0.00 0.00 19.45 19.88 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 0.55 0.75 0.00 0.00 -0.04 -1.24 -4.90 135.00 130.12 1ls8 n PRO 129 Ca 0.30 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1ls8 n PRO 129 Cb 0.42 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.92 0.00 0.07 3.54 2.88 -1.26 -4.50 113.62 113.42 1ls8 n SER 130 Ca 0.15 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.76 1ls8 n SER 130 Cb 0.07 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.04 1ls8 n SER 130 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1ls8 h MET 131 N 0.00 0.34 -6.63 -1.46 2.86 -1.91 -3.39 114.93 104.73 1ls8 h MET 131 Ca 0.00 -0.02 -0.64 0.00 -2.06 0.00 0.00 59.70 56.98 1ls8 h MET 131 Cb 0.00 -0.08 -0.22 0.00 0.06 0.00 0.00 31.60 31.36 1ls8 h MET 131 CO 0.00 0.22 -0.86 -0.51 1.06 0.00 0.00 176.91 176.83 1ls8 s ASP 132 N -6.71 3.02 0.00 1.22 1.01 -1.26 -4.52 116.67 109.43 1ls8 s ASP 132 Ca -0.07 -0.71 0.09 0.00 0.71 0.00 0.00 52.55 52.56 1ls8 s ASP 132 Cb 0.18 -0.20 0.14 0.00 1.01 0.00 0.00 42.92 44.06 1ls8 s ASP 132 CO 0.72 0.14 0.97 1.33 0.21 0.00 0.00 175.17 178.54 1ls8 n VAL 133 N 1.05 0.00 0.00 -1.27 0.24 -1.26 -3.66 118.33 113.44 1ls8 n VAL 133 Ca -0.18 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1ls8 n VAL 133 Cb 0.53 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 1ls8 n VAL 133 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ls8 n ALA 134 N 0.17 0.00 -3.56 2.33 0.00 -1.26 -4.70 120.51 113.49 1ls8 n ALA 134 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.04 1ls8 n ALA 134 Cb 0.82 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.11 1ls8 n ALA 134 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ls8 s VAL 135 N 0.00 2.38 0.00 0.00 1.01 -1.26 -3.57 120.40 118.96 1ls8 s VAL 135 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1ls8 s VAL 135 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1ls8 s VAL 135 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1ls8 n GLY 136 N 4.07 3.68 0.52 4.51 0.00 -1.26 -4.49 105.19 112.22 1ls8 n GLY 136 Ca -0.19 -1.54 -0.03 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.64 0.25 -3.81 1.61 0.00 -1.26 -3.98 120.64 112.80 1ls8 n GLU 137 Ca 0.00 -0.54 -0.36 0.00 0.00 0.00 0.00 57.16 56.27 1ls8 n GLU 137 Cb 0.00 0.41 0.03 0.00 0.00 0.00 0.00 31.44 31.88 1ls8 n GLU 137 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1ls8 n ILE 138 N -0.11 -4.82 -2.49 3.84 2.08 -1.26 -4.87 119.36 111.73 1ls8 n ILE 138 Ca 0.01 -0.84 -0.41 0.00 0.56 0.00 0.00 62.75 62.07 1ls8 n ILE 138 Cb 0.10 -3.67 0.02 0.00 -0.75 0.00 0.00 39.64 35.34 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 -4.45 7.37 -3.16 1.39 7.94 -1.26 -4.69 117.00 120.13 1ls8 n LEU 139 Ca -0.11 -5.27 0.05 0.00 -1.11 0.00 0.00 56.01 49.56 1ls8 n LEU 139 Cb 0.59 -1.14 -0.02 0.00 0.53 0.00 0.00 43.42 43.38 1ls8 n LEU 139 CO 0.70 1.99 0.46 0.00 -1.11 0.00 0.00 177.39 179.43 1ls8 s ALA 140 N -4.27 -3.05 -0.55 1.96 0.00 -1.26 -4.93 121.76 109.66 1ls8 s ALA 140 Ca 0.42 1.59 0.25 0.00 0.00 0.00 0.00 51.96 54.22 1ls8 s ALA 140 Cb 0.25 -2.38 0.93 0.00 0.00 0.00 0.00 23.12 21.92 1ls8 s ALA 140 CO -0.19 -1.39 1.74 -0.85 0.00 0.00 0.00 175.76 175.07 1ls8 n GLU 141 N 5.44 0.23 0.00 0.00 0.28 -1.26 -5.25 120.64 120.08 1ls8 n GLU 141 Ca -0.05 0.36 0.14 0.00 -0.16 0.00 0.00 57.16 57.45 1ls8 n GLU 141 Cb 0.53 -1.87 0.59 0.00 1.43 0.00 0.00 31.44 32.12 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30