#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t8c n GLY 2 N 0.00 0.60 3.79 0.23 0.00 -1.26 -5.05 105.19 103.49 1t8c n GLY 2 Ca 0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1t8c n GLY 2 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t8c s PHE 3 N 0.00 3.53 -0.21 1.61 0.08 -1.26 -4.47 117.98 117.26 1t8c s PHE 3 Ca 0.00 1.72 -0.09 0.00 0.12 0.00 0.00 56.93 58.68 1t8c s PHE 3 Cb 0.00 -2.96 -0.10 0.00 -0.57 0.00 0.00 43.02 39.39 1t8c s PHE 3 CO 0.00 -0.04 -0.26 0.28 -0.10 0.00 0.00 175.22 175.09 1t8c n VAL 4 N 0.24 1.18 0.00 -0.44 0.31 -1.26 -5.08 118.33 113.28 1t8c n VAL 4 Ca 0.03 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1t8c n VAL 4 Cb 0.50 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 1t8c n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t8c n ASN 6 N 0.00 -1.16 -0.20 0.00 2.85 -1.26 -4.99 115.26 110.49 1t8c n ASN 6 Ca 0.00 -1.68 0.14 0.00 -0.11 0.00 0.00 54.58 52.93 1t8c n ASN 6 Cb 0.00 1.01 0.72 0.00 1.24 0.00 0.00 39.78 42.75 1t8c n ASN 6 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1t8c n THR 7 N -0.47 0.02 -3.81 -0.44 5.66 -1.26 -4.47 114.28 109.51 1t8c n THR 7 Ca -0.26 -0.11 -0.32 0.00 -3.05 0.00 0.00 64.05 60.31 1t8c n THR 7 Cb 0.66 -0.07 -0.11 0.00 -1.55 0.00 0.00 70.33 69.26 1t8c n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1t8c h PRO 9 N 6.10 0.00 0.00 0.00 0.13 -1.78 -3.46 132.00 132.98 1t8c h PRO 9 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1t8c h PRO 9 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1t8c h PRO 9 CO 0.74 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.60 1t8c n GLU 10 N -3.53 0.00 -0.34 0.86 2.13 -1.26 -4.87 120.64 113.64 1t8c n GLU 10 Ca -0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1t8c n GLU 10 Cb 0.00 0.00 0.31 0.00 0.27 0.00 0.00 31.44 32.03 1t8c n GLU 10 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1t8c h LYS 11 N 0.00 0.64 -6.81 5.31 6.56 -1.94 -3.40 116.57 116.93 1t8c h LYS 11 Ca 0.00 -0.04 -0.51 0.00 -1.06 0.00 0.00 60.65 59.04 1t8c h LYS 11 Cb 0.00 -0.14 0.02 0.00 -0.57 0.00 0.00 32.23 31.54 1t8c h LYS 11 CO 0.00 0.42 0.50 -1.58 -2.06 0.00 0.00 179.45 176.73 1t8c s TRP 12 N -5.87 3.52 -0.07 -1.35 0.52 -1.25 -3.89 118.94 110.55 1t8c s TRP 12 Ca -0.11 1.66 0.01 0.00 0.02 0.00 0.00 56.10 57.67 1t8c s TRP 12 Cb 0.25 -3.33 0.02 0.00 -1.15 0.00 0.00 33.47 29.26 1t8c s TRP 12 CO 0.79 -0.71 -0.06 0.42 0.02 0.00 0.00 176.95 177.41 1t8c s ILE 13 N -1.11 0.77 0.12 2.03 -1.09 -0.91 -4.26 121.20 116.75 1t8c s ILE 13 Ca 0.45 -0.21 0.04 0.00 -2.23 0.00 0.00 60.65 58.71 1t8c s ILE 13 Cb -0.33 -0.78 -0.04 0.00 -1.58 0.00 0.00 42.46 39.73 1t8c s ILE 13 CO 0.42 0.30 0.08 0.21 -1.23 0.00 0.00 174.94 174.71 1t8c s ASN 14 N 1.21 5.37 0.00 3.58 3.84 -1.26 0.78 114.94 128.46 1t8c s ASN 14 Ca -0.06 -0.11 0.00 0.00 0.21 0.00 0.00 52.86 52.90 1t8c s ASN 14 Cb -0.14 -1.38 0.00 0.00 -0.55 0.00 0.00 41.25 39.18 1t8c s ASN 14 CO -0.02 0.13 0.00 0.49 -2.79 0.00 0.00 177.10 174.92 1t8c n PHE 15 N 0.19 0.00 -0.25 0.43 3.01 0.16 -4.95 117.46 116.05 1t8c n PHE 15 Ca -0.09 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.42 1t8c n PHE 15 Cb 0.53 0.00 0.18 0.00 -0.01 0.00 0.00 39.48 40.18 1t8c n PHE 15 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1t8c h GLN 16 N 0.00 0.33 0.00 -1.08 -0.00 -1.99 -3.40 115.11 108.97 1t8c h GLN 16 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1t8c h GLN 16 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.41 1t8c h GLN 16 CO 0.00 0.22 0.00 2.89 -0.00 0.00 0.00 178.83 181.94 1t8c n ARG 17 N -5.09 0.00 -4.29 0.06 0.00 -1.26 -4.61 116.66 101.46 1t8c n ARG 17 Ca 0.14 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.75 1t8c n ARG 17 Cb 0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 32.82 1t8c n ARG 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1t8c s LYS 18 N 0.00 2.21 0.32 2.89 -2.85 -1.26 -3.15 119.74 117.90 1t8c s LYS 18 Ca 0.00 -1.37 0.07 0.00 -1.00 0.00 0.00 55.97 53.67 1t8c s LYS 18 Cb 0.00 -2.16 -0.06 0.00 -2.06 0.00 0.00 37.83 33.55 1t8c s LYS 18 CO 0.00 0.39 -0.03 0.00 0.10 0.00 0.00 175.35 175.81 1t8c s TYR 20 N -2.96 1.90 -0.42 0.00 1.51 0.23 -0.52 117.35 117.10 1t8c s TYR 20 Ca 0.32 -0.36 -0.16 0.00 -1.01 0.00 0.00 57.07 55.86 1t8c s TYR 20 Cb 0.06 -1.22 0.02 0.00 -0.11 0.00 0.00 41.96 40.71 1t8c s TYR 20 CO 0.14 -0.04 0.38 -0.47 -1.11 0.00 0.00 175.55 174.46 1t8c s TYR 21 N -0.48 3.20 -0.36 2.71 6.14 0.30 -2.13 117.35 126.73 1t8c s TYR 21 Ca 0.08 -0.48 -0.09 0.00 0.64 0.00 0.00 57.07 57.22 1t8c s TYR 21 Cb -0.08 -2.78 0.03 0.00 0.42 0.00 0.00 41.96 39.55 1t8c s TYR 21 CO -0.01 -0.66 0.17 -0.06 0.64 0.00 0.00 175.55 175.63 1t8c s PHE 22 N 1.94 3.25 0.44 4.97 0.40 -1.25 -0.08 117.98 127.65 1t8c s PHE 22 Ca 0.09 -1.13 0.03 0.00 -0.60 0.00 0.00 56.93 55.32 1t8c s PHE 22 Cb -0.18 -2.37 -0.02 0.00 0.51 0.00 0.00 43.02 40.95 1t8c s PHE 22 CO 0.12 -0.68 0.09 0.20 0.70 0.00 0.00 175.22 175.65 1t8c s GLY 23 N 1.50 2.73 0.13 4.36 0.00 0.52 -4.74 107.32 111.82 1t8c s GLY 23 Ca 0.01 -1.00 0.06 0.00 0.00 0.00 0.00 44.72 43.78 1t8c s GLY 23 CO 0.05 -1.95 -0.14 -1.59 0.00 0.00 0.00 173.10 169.47 1t8c s LYS 24 N -3.77 1.05 0.00 2.90 -2.85 -1.26 -0.77 119.74 115.04 1t8c s LYS 24 Ca 0.18 -1.29 0.00 0.00 -1.00 0.00 0.00 55.97 53.87 1t8c s LYS 24 Cb 0.02 -0.88 0.00 0.00 -2.06 0.00 0.00 37.83 34.91 1t8c s LYS 24 CO 0.11 0.16 0.00 0.41 0.10 0.00 0.00 175.35 176.13 1t8c n GLY 25 N 0.38 0.59 7.00 0.59 0.00 -0.77 -4.72 105.19 108.26 1t8c n GLY 25 Ca -0.14 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1t8c n GLY 25 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t8c n THR 26 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.11 114.28 110.48 1t8c n THR 26 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1t8c n THR 26 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1t8c n THR 26 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1t8c n LYS 27 N -1.26 0.00 -2.30 -2.82 4.76 -1.26 -5.02 118.16 110.27 1t8c n LYS 27 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1t8c n LYS 27 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 1t8c n LYS 27 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1t8c n GLN 28 N -1.17 1.71 -0.01 1.97 6.02 -1.26 -4.48 117.38 120.17 1t8c n GLN 28 Ca 0.00 -0.42 -0.11 0.00 -0.01 0.00 0.00 57.00 56.46 1t8c n GLN 28 Cb 0.00 0.13 -0.06 0.00 1.02 0.00 0.00 30.24 31.33 1t8c n GLN 28 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 1t8c h TRP 29 N 1.04 0.12 -0.56 1.08 7.01 -1.96 -2.19 115.95 120.49 1t8c h TRP 29 Ca -0.05 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.09 1t8c h TRP 29 Cb 0.14 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 1t8c h TRP 29 CO 0.00 0.17 0.39 -0.39 -2.79 0.00 0.00 178.44 175.83 1t8c h VAL 30 N 0.04 0.78 -0.06 2.65 -1.51 -1.98 0.19 116.25 116.36 1t8c h VAL 30 Ca 0.03 -0.05 -0.15 0.00 -1.23 0.00 0.00 66.70 65.30 1t8c h VAL 30 Cb 0.09 0.62 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 1t8c h VAL 30 CO -0.00 0.03 -0.64 0.45 -1.23 0.00 0.00 177.57 176.18 1t8c h HIS 31 N 0.15 0.31 -0.03 5.19 3.86 -1.80 -2.19 115.15 120.63 1t8c h HIS 31 Ca 0.27 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1t8c h HIS 31 Cb 0.87 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.28 1t8c h HIS 31 CO -0.00 0.80 -0.05 0.00 0.86 0.00 0.00 177.93 179.54 1t8c h ALA 32 N 1.17 0.05 -0.92 2.45 0.00 -0.16 -0.53 119.26 121.32 1t8c h ALA 32 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1t8c h ALA 32 Cb 1.15 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1t8c h ALA 32 CO 0.10 -0.14 0.61 0.07 0.00 0.00 0.00 179.25 179.89 1t8c h ARG 33 N -0.43 1.21 -0.01 0.00 -0.00 -1.32 -1.28 114.38 112.55 1t8c h ARG 33 Ca 0.00 -0.07 -0.14 0.00 -0.00 0.00 0.00 59.98 59.77 1t8c h ARG 33 Cb 0.60 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.97 30.28 1t8c h ARG 33 CO 0.01 0.80 -0.64 -0.92 -0.00 0.00 0.00 179.97 179.22 1t8c h TYR 34 N 1.25 0.05 -0.33 4.08 3.20 -1.39 -1.17 116.97 122.67 1t8c h TYR 34 Ca 0.34 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.03 1t8c h TYR 34 Cb -0.14 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 1t8c h TYR 34 CO -0.00 0.67 -0.39 0.00 -1.64 0.00 0.00 178.16 176.80 1t8c h ALA 35 N 1.33 0.49 0.00 1.82 0.00 -0.19 -2.22 119.26 120.48 1t8c h ALA 35 Ca -0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 1t8c h ALA 35 Cb 1.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1t8c h ALA 35 CO 0.09 0.59 -0.47 0.00 0.00 0.00 0.00 179.25 179.46 1t8c h ASP 37 N 0.00 0.00 -1.00 0.00 5.19 -1.13 -0.60 116.42 118.88 1t8c h ASP 37 Ca -0.01 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.45 1t8c h ASP 37 Cb 1.33 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.78 1t8c h ASP 37 CO 0.05 0.33 0.65 -0.78 -3.12 0.00 0.00 179.24 176.38 1t8c h ASP 38 N 0.00 1.06 0.00 6.45 3.58 -1.40 -3.44 116.42 122.67 1t8c h ASP 38 Ca -0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1t8c h ASP 38 Cb 1.03 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.84 1t8c h ASP 38 CO 0.04 0.70 0.00 0.23 -2.88 0.00 0.00 179.24 177.34 1t8c n MET 39 N -4.47 0.00 0.00 0.28 2.81 -1.22 -5.08 117.12 109.44 1t8c n MET 39 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1t8c n MET 39 Cb 0.14 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.65 1t8c n MET 39 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1t8c n GLU 40 N -0.02 0.00 0.00 0.03 4.71 -1.08 -4.99 120.64 119.29 1t8c n GLU 40 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 1t8c n GLU 40 Cb 0.00 -0.53 0.00 0.00 -1.01 0.00 0.00 31.44 29.90 1t8c n GLU 40 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1t8c n GLY 41 N -0.05 0.66 3.41 0.62 0.00 -0.25 -4.84 105.19 104.73 1t8c n GLY 41 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1t8c n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1t8c s GLN 42 N 0.97 1.21 -0.33 1.61 0.74 0.29 -4.54 119.66 119.61 1t8c s GLN 42 Ca 0.00 -0.79 -0.29 0.00 0.05 0.00 0.00 55.36 54.33 1t8c s GLN 42 Cb 0.00 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.60 1t8c s GLN 42 CO 0.00 -0.49 1.40 -1.17 -0.55 0.00 0.00 175.29 174.47 1t8c s LEU 43 N -2.84 3.76 0.00 3.68 2.96 -1.26 0.44 118.68 125.41 1t8c s LEU 43 Ca 0.06 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 55.09 1t8c s LEU 43 Cb 0.01 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1t8c s LEU 43 CO -0.08 -1.26 0.19 1.33 -1.32 0.00 0.00 176.35 175.22 1t8c n VAL 44 N 6.60 0.00 -2.89 1.68 0.24 -1.26 -3.51 118.33 119.20 1t8c n VAL 44 Ca 0.16 0.29 -0.11 0.00 -2.04 0.00 0.00 64.34 62.64 1t8c n VAL 44 Cb 0.47 -0.39 0.06 0.00 -1.47 0.00 0.00 33.84 32.51 1t8c n VAL 44 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1t8c n SER 45 N -1.97 -3.34 -4.43 -1.34 2.88 -1.26 -4.57 113.62 99.58 1t8c n SER 45 Ca 0.00 -0.46 -0.44 0.00 -1.33 0.00 0.00 58.87 56.64 1t8c n SER 45 Cb 0.00 -3.76 -0.01 0.00 -0.75 0.00 0.00 64.21 59.69 1t8c n SER 45 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1t8c n ILE 46 N -2.99 1.70 -0.53 2.46 -0.00 -1.26 -4.81 119.36 113.93 1t8c n ILE 46 Ca -0.14 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.11 1t8c n ILE 46 Cb 0.60 -0.35 0.00 0.00 -0.00 0.00 0.00 39.64 39.90 1t8c n ILE 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1t8c n HIS 47 N -0.39 0.00 -4.36 4.28 1.44 -1.26 -4.87 115.22 110.06 1t8c n HIS 47 Ca 0.13 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.53 1t8c n HIS 47 Cb 0.33 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.28 1t8c n HIS 47 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1t8c s SER 48 N -0.06 2.91 0.56 4.39 0.15 -1.26 -4.83 113.70 115.57 1t8c s SER 48 Ca 0.00 -0.56 0.36 0.00 0.70 0.00 0.00 55.95 56.45 1t8c s SER 48 Cb 0.00 -1.34 1.48 0.00 -1.71 0.00 0.00 66.02 64.45 1t8c s SER 48 CO 0.00 0.02 1.70 -0.65 1.20 0.00 0.00 173.24 175.51 1t8c h PRO 49 N 7.64 0.00 -0.05 5.44 0.11 -1.96 0.47 132.00 143.65 1t8c h PRO 49 Ca -0.37 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.66 1t8c h PRO 49 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1t8c h PRO 49 CO 0.56 0.00 -0.27 1.49 -0.21 0.00 0.00 178.00 179.57 1t8c h GLU 50 N 0.00 0.28 -0.49 1.05 4.81 -1.98 -1.89 114.58 116.37 1t8c h GLU 50 Ca 0.56 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.52 1t8c h GLU 50 Cb 2.45 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 31.85 1t8c h GLU 50 CO -0.01 0.88 0.15 0.93 -0.73 0.00 0.00 179.01 180.23 1t8c h GLU 51 N -0.25 0.75 -0.64 1.92 5.08 -0.56 0.33 114.58 121.22 1t8c h GLU 51 Ca -0.02 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1t8c h GLU 51 Cb 0.93 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1t8c h GLU 51 CO 0.06 0.71 0.32 -0.56 -1.00 0.00 0.00 179.01 178.54 1t8c h GLN 52 N 0.65 0.92 -0.31 2.33 -0.00 -1.14 -1.55 115.11 116.01 1t8c h GLN 52 Ca 0.16 -0.13 -0.09 0.00 -0.00 0.00 0.00 58.65 58.58 1t8c h GLN 52 Cb 0.27 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.48 27.57 1t8c h GLN 52 CO -0.01 0.72 -0.20 0.22 -0.00 0.00 0.00 178.83 179.56 1t8c h ASP 53 N 0.88 0.58 0.13 0.06 3.58 -1.05 0.38 116.42 120.97 1t8c h ASP 53 Ca 0.22 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1t8c h ASP 53 Cb 0.10 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1t8c h ASP 53 CO -0.03 0.78 -0.06 -0.26 -2.88 0.00 0.00 179.24 176.79 1t8c h PHE 54 N 0.52 -0.16 -0.09 0.28 0.04 0.42 0.18 116.94 118.13 1t8c h PHE 54 Ca 0.08 -0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.62 1t8c h PHE 54 Cb 0.64 0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.85 1t8c h PHE 54 CO 0.02 -0.08 -0.85 1.37 -0.60 0.00 0.00 178.31 178.18 1t8c h LEU 55 N -0.19 0.80 -1.04 1.54 8.10 -1.26 -0.91 115.31 122.36 1t8c h LEU 55 Ca -0.02 -0.56 -0.00 0.00 0.11 0.00 0.00 57.88 57.41 1t8c h LEU 55 Cb 0.15 -0.24 -0.04 0.00 -0.44 0.00 0.00 40.66 40.08 1t8c h LEU 55 CO 0.03 1.35 0.54 0.00 -4.11 0.00 0.00 178.44 176.25 1t8c h THR 56 N 0.42 1.24 -0.07 0.15 1.03 -0.83 0.82 112.91 115.68 1t8c h THR 56 Ca -0.07 -0.52 -0.20 0.00 -0.01 0.00 0.00 66.41 65.62 1t8c h THR 56 Cb 1.47 -0.02 -0.00 0.00 -1.07 0.00 0.00 68.15 68.53 1t8c h THR 56 CO 0.16 0.25 -0.78 0.11 -0.01 0.00 0.00 175.52 175.26 1t8c h LYS 57 N 1.22 0.46 -0.09 0.00 1.79 -0.61 -3.04 116.57 116.31 1t8c h LYS 57 Ca 0.32 -0.40 -0.11 0.00 -2.18 0.00 0.00 60.65 58.28 1t8c h LYS 57 Cb -0.07 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1t8c h LYS 57 CO -0.06 1.04 -0.43 1.25 -1.08 0.00 0.00 179.45 180.17 1t8c h HIS 58 N 0.31 0.24 0.00 -1.35 2.76 -0.20 -2.30 115.15 114.61 1t8c h HIS 58 Ca -0.04 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1t8c h HIS 58 Cb 1.37 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.28 1t8c h HIS 58 CO 0.05 0.60 0.00 0.00 -1.30 0.00 0.00 177.93 177.29 1t8c n ALA 59 N -2.47 2.13 -0.88 5.26 0.00 0.28 -4.97 120.51 119.86 1t8c n ALA 59 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1t8c n ALA 59 Cb 0.48 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1t8c n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t8c n SER 60 N -1.09 0.00 -0.07 0.00 7.64 -0.87 -2.17 113.62 117.06 1t8c n SER 60 Ca 0.12 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.18 1t8c n SER 60 Cb 0.09 0.00 0.60 0.00 -1.01 0.00 0.00 64.21 63.89 1t8c n SER 60 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1t8c h HIS 61 N 0.00 0.23 -1.79 1.43 2.07 -1.89 -3.42 115.15 111.78 1t8c h HIS 61 Ca 0.00 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1t8c h HIS 61 Cb 0.00 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 29.91 1t8c h HIS 61 CO 0.00 0.09 0.00 0.25 -3.07 0.00 0.00 177.93 175.20 1t8c n THR 62 N -4.42 0.00 -4.64 6.12 -2.24 -0.92 -4.97 114.28 103.20 1t8c n THR 62 Ca 0.12 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.61 1t8c n THR 62 Cb 0.56 -1.69 -0.09 0.00 -2.10 0.00 0.00 70.33 67.01 1t8c n THR 62 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1t8c s GLY 63 N -2.74 2.73 0.31 3.38 0.00 -1.26 -4.76 107.32 104.98 1t8c s GLY 63 Ca 0.00 -1.11 0.10 0.00 0.00 0.00 0.00 44.72 43.71 1t8c s GLY 63 CO 0.00 -2.04 -0.13 -1.35 0.00 0.00 0.00 173.10 169.58 1t8c s SER 64 N -3.73 3.52 -0.15 1.64 1.04 -1.26 -1.51 113.70 113.25 1t8c s SER 64 Ca 0.19 -1.13 -0.04 0.00 0.48 0.00 0.00 55.95 55.44 1t8c s SER 64 Cb 0.04 -0.30 -0.03 0.00 0.10 0.00 0.00 66.02 65.82 1t8c s SER 64 CO 0.10 -0.14 0.01 0.26 0.98 0.00 0.00 173.24 174.45 1t8c s TRP 65 N -2.64 3.14 0.37 5.02 0.51 -1.09 -3.78 118.94 120.46 1t8c s TRP 65 Ca 0.31 -0.04 0.08 0.00 -2.12 0.00 0.00 56.10 54.32 1t8c s TRP 65 Cb 0.00 -1.95 -0.05 0.00 -0.81 0.00 0.00 33.47 30.66 1t8c s TRP 65 CO 0.15 0.16 0.15 0.96 -0.51 0.00 0.00 176.95 177.87 1t8c s ILE 66 N 0.04 2.73 -0.70 2.03 -4.36 -1.26 -3.89 121.20 115.78 1t8c s ILE 66 Ca 0.03 -1.70 -0.07 0.00 -0.26 0.00 0.00 60.65 58.65 1t8c s ILE 66 Cb -0.13 -2.96 -0.14 0.00 1.25 0.00 0.00 42.46 40.47 1t8c s ILE 66 CO 0.02 -0.12 2.82 0.61 0.24 0.00 0.00 174.94 178.51 1t8c n GLY 67 N -1.18 3.24 3.13 6.27 0.00 -1.23 -4.65 105.19 110.77 1t8c n GLY 67 Ca -0.02 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 1t8c n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t8c s LEU 68 N 0.07 1.92 -0.05 0.99 1.98 -1.26 -1.52 118.68 120.81 1t8c s LEU 68 Ca 0.56 -0.49 -0.02 0.00 -2.89 0.00 0.00 54.13 51.30 1t8c s LEU 68 Cb 0.20 -1.23 0.03 0.00 0.66 0.00 0.00 46.19 45.85 1t8c s LEU 68 CO -0.03 0.08 0.04 -0.60 -1.89 0.00 0.00 176.35 173.96 1t8c s ARG 69 N 0.67 0.15 -0.09 1.98 3.52 0.13 -3.76 118.95 121.55 1t8c s ARG 69 Ca -0.12 0.28 -0.14 0.00 -0.13 0.00 0.00 55.73 55.61 1t8c s ARG 69 Cb -0.16 -0.64 -0.05 0.00 -1.56 0.00 0.00 34.95 32.54 1t8c s ARG 69 CO 0.03 -0.31 0.34 1.21 -0.81 0.00 0.00 175.30 175.76 1t8c s ASN 70 N 2.02 6.60 0.22 -2.12 3.84 -0.11 -0.62 114.94 124.76 1t8c s ASN 70 Ca 0.04 0.71 0.03 0.00 0.21 0.00 0.00 52.86 53.85 1t8c s ASN 70 Cb -0.12 -2.21 -0.03 0.00 -0.55 0.00 0.00 41.25 38.34 1t8c s ASN 70 CO -0.04 0.21 0.36 -0.76 -2.79 0.00 0.00 177.10 174.09 1t8c s LEU 71 N -0.29 4.28 -2.01 3.21 1.43 -1.04 -4.30 118.68 119.96 1t8c s LEU 71 Ca 0.20 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1t8c s LEU 71 Cb -0.14 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.11 1t8c s LEU 71 CO 0.08 -0.05 0.00 0.47 0.23 0.00 0.00 176.35 177.08 1t8c n ASP 72 N -1.09 -5.00 0.00 2.29 8.00 -1.26 -2.63 116.55 116.86 1t8c n ASP 72 Ca -0.07 0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1t8c n ASP 72 Cb 0.56 -4.46 0.00 0.00 -0.02 0.00 0.00 41.12 37.20 1t8c n ASP 72 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1t8c n LEU 73 N -2.26 0.00 0.00 0.64 4.32 -1.25 -2.33 117.00 116.12 1t8c n LEU 73 Ca -0.19 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 55.83 1t8c n LEU 73 Cb 0.62 0.00 0.20 0.00 -1.62 0.00 0.00 43.42 42.63 1t8c n LEU 73 CO 0.29 0.00 0.57 0.29 -1.22 0.00 0.00 177.39 177.32 1t8c n LYS 74 N 0.00 0.87 0.00 3.23 5.02 -1.26 -2.14 118.16 123.88 1t8c n LYS 74 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1t8c n LYS 74 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1t8c n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1t8c n GLY 75 N 0.46 -1.12 3.21 0.72 0.00 -0.98 -4.97 105.19 102.51 1t8c n GLY 75 Ca 0.05 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1t8c n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t8c s GLU 76 N 0.00 1.11 0.17 1.61 0.41 -1.21 -4.96 118.70 115.83 1t8c s GLU 76 Ca 0.00 -0.92 -0.30 0.00 -0.41 0.00 0.00 54.97 53.34 1t8c s GLU 76 Cb 0.00 -1.21 -0.07 0.00 -1.78 0.00 0.00 34.13 31.06 1t8c s GLU 76 CO 0.00 0.30 1.11 -0.59 -0.49 0.00 0.00 175.26 175.59 1t8c s PHE 77 N -0.94 3.57 0.00 1.61 -0.12 -1.26 -2.49 117.98 118.35 1t8c s PHE 77 Ca 0.04 1.57 0.03 0.00 -0.05 0.00 0.00 56.93 58.52 1t8c s PHE 77 Cb -0.09 -3.29 -0.01 0.00 -0.63 0.00 0.00 43.02 39.00 1t8c s PHE 77 CO 0.02 -0.68 -0.09 0.42 -0.05 0.00 0.00 175.22 174.84 1t8c s ILE 78 N -0.13 0.69 0.50 -4.49 1.01 0.21 -3.17 121.20 115.83 1t8c s ILE 78 Ca 0.50 -0.47 -0.20 0.00 0.00 0.00 0.00 60.65 60.49 1t8c s ILE 78 Cb -0.29 -0.60 -0.08 0.00 0.01 0.00 0.00 42.46 41.50 1t8c s ILE 78 CO 0.35 0.13 1.05 0.26 0.00 0.00 0.00 174.94 176.73 1t8c s TRP 79 N -0.34 2.95 0.59 3.97 0.52 -0.12 0.21 118.94 126.72 1t8c s TRP 79 Ca 0.02 1.57 0.30 0.00 0.02 0.00 0.00 56.10 58.01 1t8c s TRP 79 Cb -0.04 -3.09 1.82 0.00 -1.15 0.00 0.00 33.47 31.00 1t8c s TRP 79 CO -0.00 -0.96 2.23 -0.24 0.02 0.00 0.00 176.95 178.00 1t8c h VAL 80 N 1.41 0.49 0.00 4.03 3.04 -1.59 0.29 116.25 123.92 1t8c h VAL 80 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1t8c h VAL 80 Cb 1.23 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1t8c h VAL 80 CO 0.59 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.48 1t8c n ASP 81 N -3.80 0.00 -0.54 3.17 2.03 -1.26 -4.87 116.55 111.27 1t8c n ASP 81 Ca -0.02 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.63 1t8c n ASP 81 Cb 0.13 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1t8c n ASP 81 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t8c n GLY 82 N 0.76 0.85 2.77 0.27 0.00 0.10 -5.08 105.19 104.86 1t8c n GLY 82 Ca 0.18 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 1t8c n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t8c s SER 83 N -2.86 0.95 0.61 1.61 0.01 -1.20 -4.92 113.70 107.89 1t8c s SER 83 Ca 0.00 0.21 -0.18 0.00 1.31 0.00 0.00 55.95 57.29 1t8c s SER 83 Cb 0.00 0.12 -0.06 0.00 0.21 0.00 0.00 66.02 66.29 1t8c s SER 83 CO 0.00 -0.25 0.73 0.00 0.41 0.00 0.00 173.24 174.13 1t8c n HIS 84 N 5.32 -0.01 -1.73 2.43 1.44 -1.26 -0.95 115.22 120.46 1t8c n HIS 84 Ca -0.04 0.42 -0.37 0.00 -2.01 0.00 0.00 57.72 55.72 1t8c n HIS 84 Cb 0.50 -2.03 0.06 0.00 0.12 0.00 0.00 29.99 28.64 1t8c n HIS 84 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1t8c n VAL 85 N -1.86 4.75 0.01 0.61 0.31 -1.19 -4.76 118.33 116.20 1t8c n VAL 85 Ca 0.13 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.93 1t8c n VAL 85 Cb 0.48 -1.51 -0.01 0.00 -0.91 0.00 0.00 33.84 31.89 1t8c n VAL 85 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1t8c n ASP 86 N -1.71 1.23 -0.10 4.52 8.00 -1.26 -4.92 116.55 122.31 1t8c n ASP 86 Ca 0.15 0.18 -0.24 0.00 0.71 0.00 0.00 54.79 55.59 1t8c n ASP 86 Cb 0.47 -0.41 -0.12 0.00 -0.02 0.00 0.00 41.12 41.05 1t8c n ASP 86 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1t8c n TYR 87 N -3.69 0.62 -1.43 1.24 4.02 -1.26 -5.10 117.16 111.56 1t8c n TYR 87 Ca -0.05 0.22 0.17 0.00 -0.01 0.00 0.00 57.90 58.24 1t8c n TYR 87 Cb 0.18 -1.07 -0.08 0.00 -0.02 0.00 0.00 39.34 38.35 1t8c n TYR 87 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1t8c n SER 88 N -4.06 -8.03 0.00 7.72 3.41 -1.26 -4.93 113.62 106.48 1t8c n SER 88 Ca -0.41 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 1t8c n SER 88 Cb 0.85 -4.74 0.00 0.00 -0.26 0.00 0.00 64.21 60.06 1t8c n SER 88 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1t8c n ASN 89 N -4.34 3.03 -1.11 4.04 4.13 -1.26 -5.04 115.26 114.71 1t8c n ASN 89 Ca -0.06 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.17 1t8c n ASN 89 Cb 0.67 0.26 0.00 0.00 -1.54 0.00 0.00 39.78 39.17 1t8c n ASN 89 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1t8c n TRP 90 N -1.57 -0.19 -1.55 3.10 7.02 -1.26 -4.55 117.44 118.43 1t8c n TRP 90 Ca 0.00 0.08 -0.54 0.00 -1.02 0.00 0.00 57.50 56.02 1t8c n TRP 90 Cb 0.31 -0.15 -0.07 0.00 -2.42 0.00 0.00 31.31 28.98 1t8c n TRP 90 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1t8c n ALA 91 N 0.17 0.52 -1.57 6.99 0.00 0.61 -4.81 120.51 122.42 1t8c n ALA 91 Ca -0.01 0.16 -0.45 0.00 0.00 0.00 0.00 53.44 53.15 1t8c n ALA 91 Cb 0.06 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.09 1t8c n ALA 91 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1t8c n PRO 92 N 6.97 1.76 0.00 0.00 -0.02 -1.26 -3.07 135.00 139.38 1t8c n PRO 92 Ca 0.35 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1t8c n PRO 92 Cb 0.18 -3.08 0.00 0.00 -0.02 0.00 0.00 33.50 30.57 1t8c n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t8c n GLY 93 N 5.95 1.64 2.73 -1.23 0.00 -1.26 -5.05 105.19 107.96 1t8c n GLY 93 Ca 0.32 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1t8c n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t8c n GLU 94 N 0.00 1.56 0.00 1.61 1.02 -1.17 -4.91 120.64 118.74 1t8c n GLU 94 Ca 0.00 -4.21 0.08 0.00 -0.02 0.00 0.00 57.16 53.01 1t8c n GLU 94 Cb 0.00 -2.13 0.39 0.00 -0.02 0.00 0.00 31.44 29.68 1t8c n GLU 94 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1t8c n PRO 95 N 1.99 0.12 -3.21 3.49 -0.04 -1.26 -4.77 135.00 131.32 1t8c n PRO 95 Ca 0.23 0.17 -0.22 0.00 -0.04 0.00 0.00 63.50 63.64 1t8c n PRO 95 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1t8c n PRO 95 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1t8c n THR 96 N -1.39 -1.09 -2.41 0.52 -2.24 -1.26 -4.93 114.28 101.48 1t8c n THR 96 Ca 0.06 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.52 1t8c n THR 96 Cb 0.16 -2.04 -0.03 0.00 -2.10 0.00 0.00 70.33 66.33 1t8c n THR 96 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1t8c s SER 97 N -2.64 6.58 -1.52 3.42 1.04 -1.26 -3.73 113.70 115.59 1t8c s SER 97 Ca 0.34 1.51 0.00 0.00 0.48 0.00 0.00 55.95 58.28 1t8c s SER 97 Cb -0.18 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1t8c s SER 97 CO 0.42 -0.59 0.00 0.54 0.98 0.00 0.00 173.24 174.59 1t8c n ARG 98 N -1.64 -1.87 -1.80 4.02 1.74 -1.26 -4.94 116.66 110.92 1t8c n ARG 98 Ca 0.06 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 58.00 1t8c n ARG 98 Cb 0.54 -5.48 0.00 0.00 -1.02 0.00 0.00 32.46 26.50 1t8c n ARG 98 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1t8c n SER 99 N -1.86 0.71 -4.76 0.55 7.64 -1.24 -5.13 113.62 109.53 1t8c n SER 99 Ca -0.20 -0.90 -0.38 0.00 1.01 0.00 0.00 58.87 58.39 1t8c n SER 99 Cb 0.65 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.88 1t8c n SER 99 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1t8c s GLN 100 N -1.70 3.37 0.36 1.43 -0.21 -1.26 -4.94 119.66 116.71 1t8c s GLN 100 Ca 0.00 2.13 -0.28 0.00 0.02 0.00 0.00 55.36 57.23 1t8c s GLN 100 Cb 0.00 -2.35 -0.10 0.00 1.00 0.00 0.00 33.01 31.56 1t8c s GLN 100 CO 0.00 -0.98 1.38 0.20 -2.12 0.00 0.00 175.29 173.77 1t8c s GLY 101 N -1.01 2.97 0.55 3.09 0.00 -1.26 -4.51 107.32 107.15 1t8c s GLY 101 Ca 0.68 1.39 -0.20 0.00 0.00 0.00 0.00 44.72 46.59 1t8c s GLY 101 CO 0.45 2.04 1.20 -1.83 0.00 0.00 0.00 173.10 174.97 1t8c s GLU 102 N -1.97 3.22 0.00 2.90 1.03 -0.91 -3.33 118.70 119.64 1t8c s GLU 102 Ca 0.51 1.82 0.00 0.00 0.03 0.00 0.00 54.97 57.34 1t8c s GLU 102 Cb -0.42 -2.07 0.00 0.00 -0.80 0.00 0.00 34.13 30.83 1t8c s GLU 102 CO 0.57 -1.01 0.00 -3.47 -1.33 0.00 0.00 175.26 170.02 1t8c n ASP 103 N -1.25 0.83 -3.76 0.83 2.03 -1.22 -3.93 116.55 110.08 1t8c n ASP 103 Ca 0.12 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.31 1t8c n ASP 103 Cb 0.49 0.11 -0.07 0.00 -0.72 0.00 0.00 41.12 40.93 1t8c n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t8c s VAL 105 N -2.41 3.80 0.40 0.00 1.01 -1.25 -2.41 120.40 119.54 1t8c s VAL 105 Ca -0.06 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1t8c s VAL 105 Cb -0.01 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.62 1t8c s VAL 105 CO -0.02 0.48 0.03 0.00 0.00 0.00 0.00 175.10 175.59 1t8c s MET 106 N 0.56 2.00 -0.09 2.72 0.23 0.16 -4.19 119.30 120.69 1t8c s MET 106 Ca -0.03 -2.04 0.04 0.00 -1.03 0.00 0.00 55.69 52.63 1t8c s MET 106 Cb -0.14 -1.72 0.00 0.00 -1.53 0.00 0.00 34.83 31.44 1t8c s MET 106 CO 0.03 -0.04 -0.23 -1.64 -2.03 0.00 0.00 175.02 171.11 1t8c s MET 107 N -3.74 2.82 0.00 3.16 1.00 -1.25 0.16 119.30 121.45 1t8c s MET 107 Ca 0.36 -0.82 0.00 0.00 0.00 0.00 0.00 55.69 55.23 1t8c s MET 107 Cb 0.08 -2.17 0.00 0.00 0.00 0.00 0.00 34.83 32.74 1t8c s MET 107 CO 0.19 0.18 0.00 -2.13 0.00 0.00 0.00 175.02 173.26 1t8c n ARG 108 N 3.51 -0.50 0.00 2.03 0.63 -0.90 -4.02 116.66 117.40 1t8c n ARG 108 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 1t8c n ARG 108 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 1t8c n ARG 108 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t8c n GLY 109 N 0.00 1.70 0.00 5.14 0.00 -1.26 -3.21 105.19 107.56 1t8c n GLY 109 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1t8c n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t8c n SER 110 N 3.75 0.00 0.00 1.61 7.64 -1.26 -5.00 113.62 120.36 1t8c n SER 110 Ca 0.00 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1t8c n SER 110 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1t8c n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t8c n GLY 111 N 0.00 1.20 0.00 0.23 0.00 -1.20 -5.10 105.19 100.33 1t8c n GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1t8c n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t8c n ARG 112 N 0.00 3.52 -4.05 1.61 3.00 -1.22 -4.65 116.66 114.88 1t8c n ARG 112 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.85 57.62 1t8c n ARG 112 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1t8c n ARG 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1t8c s TRP 113 N 2.14 2.96 -0.04 -1.55 0.52 -1.26 -2.12 118.94 119.58 1t8c s TRP 113 Ca 0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 56.10 55.90 1t8c s TRP 113 Cb 0.00 -1.51 0.03 0.00 -1.15 0.00 0.00 33.47 30.84 1t8c s TRP 113 CO 0.00 0.42 0.05 -0.80 0.02 0.00 0.00 176.95 176.64 1t8c s ASN 114 N -3.87 1.14 -0.57 2.95 0.01 0.41 -0.29 114.94 114.73 1t8c s ASN 114 Ca 0.35 0.06 -0.14 0.00 -0.71 0.00 0.00 52.86 52.42 1t8c s ASN 114 Cb -0.07 -0.17 0.14 0.00 0.41 0.00 0.00 41.25 41.56 1t8c s ASN 114 CO 0.25 -0.24 0.52 -0.62 -1.51 0.00 0.00 177.10 175.49 1t8c s ASP 115 N 2.10 6.19 0.16 -1.22 -1.08 -1.26 -0.66 116.67 120.89 1t8c s ASP 115 Ca 0.04 -1.96 -0.19 0.00 -0.52 0.00 0.00 52.55 49.92 1t8c s ASP 115 Cb -0.12 -2.17 0.05 0.00 -1.46 0.00 0.00 42.92 39.21 1t8c s ASP 115 CO -0.03 -0.78 0.52 0.00 0.52 0.00 0.00 175.17 175.40 1t8c s ALA 116 N 1.32 -1.19 0.84 3.66 0.00 -1.01 -4.77 121.76 120.60 1t8c s ALA 116 Ca 0.06 0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.95 1t8c s ALA 116 Cb -0.26 0.82 -0.08 0.00 0.00 0.00 0.00 23.12 23.59 1t8c s ALA 116 CO 0.01 -0.75 -0.11 0.34 0.00 0.00 0.00 175.76 175.25 1t8c n PHE 117 N -0.32 -2.96 -1.39 0.00 7.35 -1.21 -2.77 117.46 116.16 1t8c n PHE 117 Ca -0.14 0.20 -0.39 0.00 -0.76 0.00 0.00 57.45 56.36 1t8c n PHE 117 Cb 0.64 -1.67 -0.02 0.00 0.35 0.00 0.00 39.48 38.78 1t8c n PHE 117 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1t8c n ASP 119 N 4.92 1.49 -4.71 0.00 5.68 -1.26 -5.01 116.55 117.66 1t8c n ASP 119 Ca 0.63 -0.35 -0.24 0.00 -0.50 0.00 0.00 54.79 54.33 1t8c n ASP 119 Cb 0.29 1.30 0.10 0.00 -1.14 0.00 0.00 41.12 41.67 1t8c n ASP 119 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1t8c s ARG 120 N -2.49 1.79 -0.08 0.11 1.81 -1.26 -5.11 118.95 113.73 1t8c s ARG 120 Ca -0.00 -0.93 -0.02 0.00 -1.72 0.00 0.00 55.73 53.06 1t8c s ARG 120 Cb 0.08 -2.31 0.04 0.00 -0.45 0.00 0.00 34.95 32.31 1t8c s ARG 120 CO 0.48 -1.38 0.05 0.15 -0.68 0.00 0.00 175.30 173.93 1t8c s LYS 121 N -5.14 0.14 0.00 3.54 -0.14 -1.26 -4.95 119.74 111.93 1t8c s LYS 121 Ca 0.65 0.20 0.00 0.00 -1.36 0.00 0.00 55.97 55.45 1t8c s LYS 121 Cb -0.07 -0.93 0.00 0.00 -1.68 0.00 0.00 37.83 35.16 1t8c s LYS 121 CO 0.44 -0.40 0.00 1.28 -0.76 0.00 0.00 175.35 175.91 1t8c n LEU 122 N 5.25 0.00 -0.17 3.17 4.32 -1.26 -4.96 117.00 123.35 1t8c n LEU 122 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 1t8c n LEU 122 Cb 0.50 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 1t8c n LEU 122 CO 0.08 0.00 0.08 0.61 -1.22 0.00 0.00 177.39 176.95 1t8c n GLY 123 N 5.00 0.70 3.18 -0.72 0.00 -1.23 -4.82 105.19 107.31 1t8c n GLY 123 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1t8c n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t8c s ALA 124 N 0.00 -0.80 -0.32 4.61 0.00 -0.57 -1.84 121.76 122.84 1t8c s ALA 124 Ca 0.00 1.13 -0.10 0.00 0.00 0.00 0.00 51.96 53.00 1t8c s ALA 124 Cb 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 1t8c s ALA 124 CO 0.00 -0.20 0.15 1.67 0.00 0.00 0.00 175.76 177.38 1t8c s TRP 125 N 0.89 3.18 -0.09 0.00 1.48 0.05 -2.68 118.94 121.77 1t8c s TRP 125 Ca -0.06 -0.65 0.01 0.00 -1.06 0.00 0.00 56.10 54.34 1t8c s TRP 125 Cb -0.07 -2.36 -0.02 0.00 -1.16 0.00 0.00 33.47 29.86 1t8c s TRP 125 CO -0.06 -0.49 -0.10 0.08 -4.06 0.00 0.00 176.95 172.32 1t8c s VAL 126 N 1.60 3.40 0.18 -0.66 1.01 -1.25 -0.36 120.40 124.31 1t8c s VAL 126 Ca 0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 1t8c s VAL 126 Cb -0.17 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1t8c s VAL 126 CO 0.06 0.56 0.08 0.00 0.00 0.00 0.00 175.10 175.81 1t8c s ASP 128 N -3.13 2.13 -0.00 0.00 -4.77 0.17 0.11 116.67 111.17 1t8c s ASP 128 Ca 0.31 -0.41 -0.26 0.00 -3.30 0.00 0.00 52.55 48.89 1t8c s ASP 128 Cb 0.07 -0.20 0.06 0.00 -1.09 0.00 0.00 42.92 41.76 1t8c s ASP 128 CO 0.07 0.16 0.59 -0.60 0.70 0.00 0.00 175.17 176.09 1t8c s ARG 129 N -0.81 1.03 0.19 2.11 6.06 0.32 0.11 118.95 127.96 1t8c s ARG 129 Ca 0.06 0.02 -0.31 0.00 -2.50 0.00 0.00 55.73 53.00 1t8c s ARG 129 Cb -0.08 0.48 -0.09 0.00 0.06 0.00 0.00 34.95 35.32 1t8c s ARG 129 CO 0.01 -0.34 1.44 -0.51 -2.50 0.00 0.00 175.30 173.39 1t8c s LEU 130 N -1.55 4.38 -0.66 -0.88 2.01 -1.26 0.23 118.68 120.95 1t8c s LEU 130 Ca -0.09 2.53 -0.26 0.00 0.01 0.00 0.00 54.13 56.33 1t8c s LEU 130 Cb -0.01 -3.61 -0.12 0.00 0.01 0.00 0.00 46.19 42.47 1t8c s LEU 130 CO 0.04 -0.69 2.42 0.00 1.01 0.00 0.00 176.35 179.13 1t8c n ALA 131 N 3.14 0.56 -3.18 4.21 0.00 -1.19 -4.72 120.51 119.34 1t8c n ALA 131 Ca 0.09 -1.14 -0.21 0.00 0.00 0.00 0.00 53.44 52.19 1t8c n ALA 131 Cb 0.41 -3.20 -0.16 0.00 0.00 0.00 0.00 19.45 16.50 1t8c n ALA 131 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1t8c s THR 132 N 13.09 0.82 0.48 0.00 -4.23 -1.26 -4.49 115.64 120.04 1t8c s THR 132 Ca 0.98 -0.35 -0.19 0.00 -1.18 0.00 0.00 61.69 60.95 1t8c s THR 132 Cb -0.20 -0.74 -0.09 0.00 1.34 0.00 0.00 72.50 72.80 1t8c s THR 132 CO 0.19 0.26 0.98 0.00 -0.54 0.00 0.00 174.62 175.51 1t8c s THR 134 N -2.36 -0.15 0.22 0.00 -4.23 -1.26 -5.05 115.64 102.83 1t8c s THR 134 Ca 0.61 -0.27 -0.09 0.00 -1.18 0.00 0.00 61.69 60.75 1t8c s THR 134 Cb -0.10 -0.68 0.23 0.00 1.34 0.00 0.00 72.50 73.28 1t8c s THR 134 CO 0.22 -0.35 1.65 -0.65 -0.54 0.00 0.00 174.62 174.95 1t8c h PRO 135 N 8.39 0.11 -5.71 3.99 0.11 -2.04 -3.35 132.00 133.50 1t8c h PRO 135 Ca -0.16 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.64 1t8c h PRO 135 Cb 1.12 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1t8c h PRO 135 CO 0.32 0.07 0.77 -1.25 -0.21 0.00 0.00 178.00 177.69 1t8c s PRO 136 N -6.14 2.58 0.00 1.05 0.04 -1.26 -4.30 135.00 126.96 1t8c s PRO 136 Ca -0.13 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.55 1t8c s PRO 136 Cb 0.20 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.66 1t8c s PRO 136 CO 0.74 -3.38 0.00 0.00 0.04 0.00 0.00 177.00 174.40 1t8c n ALA 137 N 13.88 1.64 -2.35 8.56 0.00 -1.26 -5.09 120.51 135.90 1t8c n ALA 137 Ca 0.40 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.48 1t8c n ALA 137 Cb 0.47 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 1t8c n ALA 137 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t8c s SER 138 N -2.30 6.87 -0.10 0.00 0.15 -1.26 -5.02 113.70 112.04 1t8c s SER 138 Ca 0.00 1.11 -0.29 0.00 0.70 0.00 0.00 55.95 57.47 1t8c s SER 138 Cb 0.00 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 1t8c s SER 138 CO 0.00 0.15 1.60 -1.61 1.20 0.00 0.00 173.24 174.58 1t8c s GLU 139 N -1.74 4.11 0.21 5.44 2.02 -1.26 -4.96 118.70 122.52 1t8c s GLU 139 Ca 0.35 2.02 -0.30 0.00 0.02 0.00 0.00 54.97 57.06 1t8c s GLU 139 Cb -0.16 -3.97 -0.09 0.00 0.10 0.00 0.00 34.13 30.01 1t8c s GLU 139 CO 0.19 -0.91 1.43 0.20 0.02 0.00 0.00 175.26 176.18 1t8c s GLY 140 N 3.35 2.17 0.16 -1.39 0.00 -1.26 -4.86 107.32 105.48 1t8c s GLY 140 Ca 0.71 1.26 0.00 0.00 0.00 0.00 0.00 44.72 46.69 1t8c s GLY 140 CO 0.27 2.31 0.00 -1.14 0.00 0.00 0.00 173.10 174.54 1t8c n SER 141 N 2.90 -0.04 0.01 1.64 3.41 -1.26 -4.99 113.62 115.29 1t8c n SER 141 Ca 0.08 0.27 -0.01 0.00 -0.26 0.00 0.00 58.87 58.96 1t8c n SER 141 Cb 0.41 0.20 -0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1t8c n SER 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t8c h ALA 142 N 0.00 -0.23 -0.02 7.33 0.00 -2.04 -3.58 119.26 120.72 1t8c h ALA 142 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1t8c h ALA 142 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1t8c h ALA 142 CO 0.00 -0.22 0.00 -1.91 0.00 0.00 0.00 179.25 177.12