#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 -0.43 3.74 0.23 0.00 -1.26 -5.13 105.19 102.34 1t8c n GLY 2 Ca 0.00 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.45 2.41 -0.13 1.61 0.40 -1.26 -4.98 117.98 113.58 1t8c s PHE 3 Ca 0.00 1.46 0.16 0.00 -0.60 0.00 0.00 56.93 57.95 1t8c s PHE 3 Cb 0.00 -3.11 -0.24 0.00 0.51 0.00 0.00 43.02 40.18 1t8c s PHE 3 CO 0.00 -2.10 0.40 0.28 0.70 0.00 0.00 175.22 174.50 1t8c n VAL 4 N -3.72 0.00 -1.89 -0.44 0.31 -1.26 -4.85 118.33 106.48 1t8c n VAL 4 Ca 0.08 -0.34 -0.22 0.00 -0.01 0.00 0.00 64.34 63.85 1t8c n VAL 4 Cb 0.54 0.26 -0.06 0.00 -0.91 0.00 0.00 33.84 33.66 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 15.75 -1.53 -0.21 0.00 5.15 -1.25 -4.99 115.26 128.19 1t8c n ASN 6 Ca 0.43 -2.33 0.07 0.00 -0.60 0.00 0.00 54.58 52.14 1t8c n ASN 6 Cb 0.46 1.34 -0.03 0.00 -0.53 0.00 0.00 39.78 41.02 1t8c n ASN 6 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1t8c n THR 7 N 0.50 0.00 -3.78 -0.44 5.66 -1.26 -4.76 114.28 110.20 1t8c n THR 7 Ca -0.02 -0.29 -0.32 0.00 -3.05 0.00 0.00 64.05 60.37 1t8c n THR 7 Cb 0.74 1.11 -0.10 0.00 -1.55 0.00 0.00 70.33 70.53 1t8c n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1t8c n PRO 9 N 2.18 0.00 0.00 0.00 -0.04 -1.26 -4.83 135.00 131.04 1t8c n PRO 9 Ca 0.20 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1t8c n PRO 9 Cb 0.36 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1t8c n PRO 9 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1t8c n GLU 10 N -1.47 0.00 -0.34 0.54 2.13 -1.26 -4.84 120.64 115.40 1t8c n GLU 10 Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 1t8c n GLU 10 Cb 0.00 0.00 0.39 0.00 0.27 0.00 0.00 31.44 32.10 1t8c n GLU 10 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1t8c h LYS 11 N 0.00 0.49 -6.93 5.31 2.10 -1.94 -3.40 116.57 112.21 1t8c h LYS 11 Ca 0.00 -0.03 -0.51 0.00 -2.00 0.00 0.00 60.65 58.11 1t8c h LYS 11 Cb 0.00 -0.11 0.05 0.00 -0.90 0.00 0.00 32.23 31.27 1t8c h LYS 11 CO 0.00 0.33 0.52 -1.58 -2.00 0.00 0.00 179.45 176.72 1t8c s TRP 12 N -5.77 3.07 -0.05 0.07 0.52 -1.25 -4.04 118.94 111.49 1t8c s TRP 12 Ca -0.11 1.54 -0.00 0.00 0.02 0.00 0.00 56.10 57.55 1t8c s TRP 12 Cb 0.28 -3.43 0.03 0.00 -1.15 0.00 0.00 33.47 29.19 1t8c s TRP 12 CO 0.79 -1.39 -0.01 0.42 0.02 0.00 0.00 176.95 176.79 1t8c s ILE 13 N -1.37 0.31 0.12 2.03 -1.09 -0.65 -4.40 121.20 116.15 1t8c s ILE 13 Ca 0.56 0.07 0.05 0.00 -2.23 0.00 0.00 60.65 59.09 1t8c s ILE 13 Cb -0.32 -0.42 -0.04 0.00 -1.58 0.00 0.00 42.46 40.10 1t8c s ILE 13 CO 0.40 0.20 0.07 0.21 -1.23 0.00 0.00 174.94 174.59 1t8c s ASN 14 N 1.36 5.30 0.00 3.58 3.84 -1.26 0.10 114.94 127.86 1t8c s ASN 14 Ca -0.05 -0.14 0.00 0.00 0.21 0.00 0.00 52.86 52.88 1t8c s ASN 14 Cb -0.13 -1.33 0.00 0.00 -0.55 0.00 0.00 41.25 39.23 1t8c s ASN 14 CO -0.02 0.13 0.00 0.49 -2.79 0.00 0.00 177.10 174.91 1t8c n PHE 15 N 0.16 0.00 -0.26 0.43 3.72 0.15 -4.95 117.46 116.71 1t8c n PHE 15 Ca -0.09 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.38 1t8c n PHE 15 Cb 0.53 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.28 1t8c n PHE 15 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1t8c h GLN 16 N 0.00 0.31 0.00 -1.08 3.07 -2.04 -3.39 115.11 111.97 1t8c h GLN 16 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1t8c h GLN 16 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.49 1t8c h GLN 16 CO 0.00 0.20 0.00 -2.13 0.09 0.00 0.00 178.83 176.99 1t8c n ARG 17 N -5.12 0.00 -4.30 0.06 0.00 -1.26 -5.14 116.66 100.90 1t8c n ARG 17 Ca 0.16 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.77 1t8c n ARG 17 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.87 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 2.22 0.31 -0.14 0.00 -1.26 -3.16 119.74 117.71 1t8c s LYS 18 Ca 0.00 -1.38 0.07 0.00 0.00 0.00 0.00 55.97 54.65 1t8c s LYS 18 Cb 0.00 -2.15 -0.06 0.00 0.00 0.00 0.00 37.83 35.62 1t8c s LYS 18 CO 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 175.35 175.70 1t8c s TYR 20 N -2.97 2.01 -0.43 0.00 1.51 0.28 -0.73 117.35 117.03 1t8c s TYR 20 Ca 0.32 -0.74 -0.17 0.00 -1.01 0.00 0.00 57.07 55.48 1t8c s TYR 20 Cb 0.05 -1.37 0.03 0.00 -0.11 0.00 0.00 41.96 40.56 1t8c s TYR 20 CO 0.14 -0.30 0.40 -0.47 -1.11 0.00 0.00 175.55 174.21 1t8c s TYR 21 N 0.35 3.19 -0.27 2.71 5.04 0.27 -1.64 117.35 127.00 1t8c s TYR 21 Ca -0.13 -0.48 -0.14 0.00 -2.44 0.00 0.00 57.07 53.88 1t8c s TYR 21 Cb -0.16 -2.85 -0.04 0.00 0.35 0.00 0.00 41.96 39.26 1t8c s TYR 21 CO 0.05 -0.69 0.32 -0.06 -1.34 0.00 0.00 175.55 173.83 1t8c s PHE 22 N 1.99 3.25 0.38 4.97 0.40 -1.26 -0.57 117.98 127.14 1t8c s PHE 22 Ca 0.10 0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.81 1t8c s PHE 22 Cb -0.18 -2.50 -0.05 0.00 0.51 0.00 0.00 43.02 40.80 1t8c s PHE 22 CO 0.12 -0.18 0.07 0.20 0.70 0.00 0.00 175.22 176.13 1t8c s GLY 23 N 1.59 2.37 0.04 4.36 0.00 0.85 -4.77 107.32 111.75 1t8c s GLY 23 Ca 0.13 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.20 1t8c s GLY 23 CO 0.10 -1.88 -0.04 1.25 0.00 0.00 0.00 173.10 172.53 1t8c s LYS 24 N -3.82 0.45 -0.01 2.90 2.20 -1.26 -1.31 119.74 118.89 1t8c s LYS 24 Ca 0.29 -0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 55.07 1t8c s LYS 24 Cb 0.06 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1t8c s LYS 24 CO 0.14 -0.05 0.01 0.41 -0.36 0.00 0.00 175.35 175.50 1t8c n GLY 25 N 1.09 -3.05 0.00 5.54 0.00 -0.63 -4.80 105.19 103.34 1t8c n GLY 25 Ca -0.21 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.08 0.00 0.00 2.61 -1.04 -1.26 -4.87 114.28 109.80 1t8c n THR 26 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1t8c n THR 26 Cb 0.03 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 1t8c n THR 26 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1t8c n LYS 27 N 0.00 0.00 -1.96 -2.82 4.81 -1.26 -4.99 118.16 111.94 1t8c n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1t8c n LYS 27 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1t8c n LYS 27 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1t8c n GLN 28 N 0.00 1.71 0.01 1.64 6.02 -1.26 -4.63 117.38 120.88 1t8c n GLN 28 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1t8c n GLN 28 Cb 0.00 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 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 0.98 0.08 -0.55 1.08 7.01 -1.96 -1.96 115.95 120.63 1t8c h TRP 29 Ca 0.00 0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.14 1t8c h TRP 29 Cb 0.00 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.00 1t8c h TRP 29 CO 0.00 0.08 0.39 -0.39 -2.79 0.00 0.00 178.44 175.73 1t8c h VAL 30 N 0.06 0.78 -0.05 2.65 -1.51 -1.99 0.20 116.25 116.40 1t8c h VAL 30 Ca 0.02 -0.05 -0.15 0.00 -1.23 0.00 0.00 66.70 65.30 1t8c h VAL 30 Cb 0.02 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 29.80 1t8c h VAL 30 CO -0.00 0.02 -0.63 -0.74 -1.23 0.00 0.00 177.57 174.99 1t8c h HIS 31 N 0.13 0.24 -0.03 5.19 2.76 -1.76 -2.24 115.15 119.43 1t8c h HIS 31 Ca 0.26 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1t8c h HIS 31 Cb 0.87 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.79 1t8c h HIS 31 CO -0.00 0.76 -0.05 0.00 -1.30 0.00 0.00 177.93 177.34 1t8c h ALA 32 N 1.22 0.05 -0.91 5.26 0.00 -0.11 -0.61 119.26 124.15 1t8c h ALA 32 Ca -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1t8c h ALA 32 Cb 1.14 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1t8c h ALA 32 CO 0.09 -0.14 0.60 0.07 0.00 0.00 0.00 179.25 179.87 1t8c h ARG 33 N -0.43 1.19 -0.01 0.00 0.11 -1.36 -0.75 114.38 113.13 1t8c h ARG 33 Ca 0.00 -0.07 -0.13 0.00 0.10 0.00 0.00 59.98 59.88 1t8c h ARG 33 Cb 0.60 -0.27 -0.02 0.00 1.11 0.00 0.00 29.97 31.39 1t8c h ARG 33 CO 0.01 0.79 -0.62 -0.92 0.10 0.00 0.00 179.97 179.32 1t8c h TYR 34 N 1.22 0.05 -0.25 4.08 5.03 -1.39 -1.59 116.97 124.12 1t8c h TYR 34 Ca 0.33 -0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.43 1t8c h TYR 34 Cb -0.13 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.14 1t8c h TYR 34 CO -0.00 0.65 -0.59 0.00 -1.32 0.00 0.00 178.16 176.90 1t8c h ALA 35 N 1.35 0.40 0.00 1.82 0.00 -0.16 -2.11 119.26 120.56 1t8c h ALA 35 Ca -0.01 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 1t8c h ALA 35 Cb 1.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1t8c h ALA 35 CO 0.08 0.65 -0.61 0.00 0.00 0.00 0.00 179.25 179.38 1t8c h ASP 37 N 0.00 0.00 -0.98 0.00 1.82 -1.22 -0.54 116.42 115.50 1t8c h ASP 37 Ca -0.01 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.68 1t8c h ASP 37 Cb 1.26 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.21 1t8c h ASP 37 CO 0.08 0.32 0.64 0.44 -1.61 0.00 0.00 179.24 179.11 1t8c h ASP 38 N 0.00 1.05 0.00 2.28 5.19 -1.26 -3.44 116.42 120.24 1t8c h ASP 38 Ca -0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1t8c h ASP 38 Cb 1.00 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.27 1t8c h ASP 38 CO 0.04 0.70 0.00 1.15 -3.12 0.00 0.00 179.24 178.02 1t8c n MET 39 N -4.46 0.00 0.00 3.56 0.00 -1.21 -5.07 117.12 109.93 1t8c n MET 39 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.84 1t8c n MET 39 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.35 1t8c n MET 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1t8c n GLU 40 N -0.01 0.00 0.00 3.17 -0.58 -1.05 -5.00 120.64 117.17 1t8c n GLU 40 Ca 0.00 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1t8c n GLU 40 Cb 0.00 -0.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1t8c n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1t8c n GLY 41 N -0.17 -0.18 3.41 0.62 0.00 -0.24 -4.82 105.19 103.82 1t8c n GLY 41 Ca 0.00 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 0.57 1.22 -0.33 1.61 0.74 0.25 -4.53 119.66 119.18 1t8c s GLN 42 Ca 0.00 -0.79 -0.29 0.00 0.05 0.00 0.00 55.36 54.34 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 -0.50 1.41 -1.17 -0.55 0.00 0.00 175.29 174.48 1t8c s LEU 43 N -2.84 3.75 0.00 3.68 2.96 -1.26 0.37 118.68 125.34 1t8c s LEU 43 Ca 0.06 1.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 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 -1.27 0.17 1.33 -1.32 0.00 0.00 176.35 175.18 1t8c n VAL 44 N 6.63 0.00 -3.13 1.68 0.24 -1.26 -3.47 118.33 119.03 1t8c n VAL 44 Ca 0.16 0.26 -0.14 0.00 -2.04 0.00 0.00 64.34 62.58 1t8c n VAL 44 Cb 0.47 -0.35 0.06 0.00 -1.47 0.00 0.00 33.84 32.56 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 -2.03 -3.12 -4.25 -1.34 2.88 -1.26 -4.55 113.62 99.95 1t8c n SER 45 Ca 0.00 -0.43 -0.49 0.00 -1.33 0.00 0.00 58.87 56.62 1t8c n SER 45 Cb 0.00 -3.83 -0.04 0.00 -0.75 0.00 0.00 64.21 59.59 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 -3.63 1.45 -0.57 2.46 -0.00 -1.26 -4.79 119.36 113.01 1t8c n ILE 46 Ca -0.14 -0.36 0.00 0.00 -0.00 0.00 0.00 62.75 62.25 1t8c n ILE 46 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.24 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 0.35 0.00 -4.37 4.28 1.44 -1.26 -4.89 115.22 110.77 1t8c n HIS 47 Ca 0.18 -0.03 -0.33 0.00 -2.01 0.00 0.00 57.72 55.53 1t8c n HIS 47 Cb 0.20 -0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.15 1t8c n HIS 47 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1t8c s SER 48 N -0.05 3.15 0.55 4.39 0.01 -1.26 -4.86 113.70 115.62 1t8c s SER 48 Ca 0.00 -0.62 0.40 0.00 1.31 0.00 0.00 55.95 57.03 1t8c s SER 48 Cb 0.00 -1.47 1.57 0.00 0.21 0.00 0.00 66.02 66.33 1t8c s SER 48 CO 0.00 0.04 1.72 -0.65 0.41 0.00 0.00 173.24 174.76 1t8c h PRO 49 N 7.66 0.00 -0.07 12.44 0.11 -1.97 0.51 132.00 150.68 1t8c h PRO 49 Ca -0.40 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.62 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 0.60 0.00 -0.32 1.49 -0.21 0.00 0.00 178.00 179.56 1t8c h GLU 50 N 0.00 0.34 -0.47 1.05 4.81 -1.97 -1.33 114.58 117.00 1t8c h GLU 50 Ca 0.64 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1t8c h GLU 50 Cb 2.66 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 32.08 1t8c h GLU 50 CO -0.01 0.92 0.08 0.93 -0.73 0.00 0.00 179.01 180.20 1t8c h GLU 51 N -0.15 0.78 -0.60 1.92 5.08 -0.47 0.49 114.58 121.62 1t8c h GLU 51 Ca -0.02 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1t8c h GLU 51 Cb 0.97 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1t8c h GLU 51 CO 0.07 0.79 0.09 -0.56 -1.00 0.00 0.00 179.01 178.40 1t8c h GLN 52 N 0.65 1.00 -0.23 2.33 -0.00 -1.12 -2.18 115.11 115.56 1t8c h GLN 52 Ca 0.15 -0.27 -0.10 0.00 -0.00 0.00 0.00 58.65 58.42 1t8c h GLN 52 Cb 0.38 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 27.73 1t8c h GLN 52 CO 0.01 0.94 -0.29 0.22 -0.00 0.00 0.00 178.83 179.71 1t8c h ASP 53 N 0.90 0.47 0.12 0.06 3.58 -1.00 0.43 116.42 120.97 1t8c h ASP 53 Ca 0.18 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1t8c h ASP 53 Cb 0.43 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 1t8c h ASP 53 CO 0.01 0.75 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.79 1t8c h PHE 54 N 0.40 -0.18 -0.05 0.28 0.04 0.50 0.37 116.94 118.30 1t8c h PHE 54 Ca 0.05 -0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.63 1t8c h PHE 54 Cb 0.72 0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.93 1t8c h PHE 54 CO 0.02 -0.11 -0.79 1.37 -0.60 0.00 0.00 178.31 178.20 1t8c h LEU 55 N -0.18 0.46 -0.98 1.54 8.10 -1.37 -0.51 115.31 122.37 1t8c h LEU 55 Ca -0.01 -0.33 -0.01 0.00 0.11 0.00 0.00 57.88 57.65 1t8c h LEU 55 Cb 0.15 -0.14 -0.04 0.00 -0.44 0.00 0.00 40.66 40.19 1t8c h LEU 55 CO 0.01 1.08 0.55 0.74 -4.11 0.00 0.00 178.44 176.72 1t8c h THR 56 N 0.25 1.25 -0.00 0.15 2.02 -0.67 0.69 112.91 116.59 1t8c h THR 56 Ca -0.04 -0.56 -0.22 0.00 0.77 0.00 0.00 66.41 66.36 1t8c h THR 56 Cb 1.38 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1t8c h THR 56 CO 0.13 0.27 -0.91 0.50 0.37 0.00 0.00 175.52 175.88 1t8c h LYS 57 N 1.27 0.36 -0.05 6.66 1.63 -0.19 -3.01 116.57 123.24 1t8c h LYS 57 Ca 0.33 -0.38 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 1t8c h LYS 57 Cb -0.05 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1t8c h LYS 57 CO -0.06 1.06 -0.29 1.25 -3.45 0.00 0.00 179.45 177.96 1t8c h HIS 58 N 0.21 0.10 -1.92 1.91 2.76 -0.07 -3.37 115.15 114.77 1t8c h HIS 58 Ca -0.07 -0.02 -0.62 0.00 -2.20 0.00 0.00 60.37 57.46 1t8c h HIS 58 Cb 1.54 -0.03 -0.13 0.00 1.55 0.00 0.00 27.41 30.35 1t8c h HIS 58 CO 0.05 0.38 1.09 0.00 -1.30 0.00 0.00 177.93 178.15 1t8c s ALA 59 N -4.37 2.97 0.00 5.26 0.00 0.23 -4.91 121.76 120.94 1t8c s ALA 59 Ca -0.04 -2.22 0.00 0.00 0.00 0.00 0.00 51.96 49.71 1t8c s ALA 59 Cb 0.15 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 19.02 1t8c s ALA 59 CO 0.73 -3.25 0.75 0.43 0.00 0.00 0.00 175.76 174.42 1t8c n SER 60 N 8.08 0.00 -0.11 0.00 7.64 -1.26 -4.37 113.62 123.59 1t8c n SER 60 Ca 0.20 0.75 0.07 0.00 1.01 0.00 0.00 58.87 60.90 1t8c n SER 60 Cb 0.49 -0.25 0.10 0.00 -1.01 0.00 0.00 64.21 63.54 1t8c n SER 60 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1t8c n HIS 61 N -1.30 0.00 -3.67 1.43 8.25 -1.26 -4.94 115.22 113.73 1t8c n HIS 61 Ca 0.00 -0.77 -0.29 0.00 -0.26 0.00 0.00 57.72 56.40 1t8c n HIS 61 Cb 0.00 -0.12 -0.15 0.00 1.12 0.00 0.00 29.99 30.84 1t8c n HIS 61 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1t8c s THR 62 N -2.16 0.52 1.08 1.59 -4.23 -1.26 -4.85 115.64 106.33 1t8c s THR 62 Ca 0.22 -1.10 -0.18 0.00 -1.18 0.00 0.00 61.69 59.46 1t8c s THR 62 Cb 0.20 -1.37 0.07 0.00 1.34 0.00 0.00 72.50 72.74 1t8c s THR 62 CO 0.02 -0.65 0.02 0.61 -0.54 0.00 0.00 174.62 174.08 1t8c n GLY 63 N 5.01 -2.45 3.63 3.99 0.00 -1.26 -4.05 105.19 110.06 1t8c n GLY 63 Ca -0.04 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 1t8c n GLY 63 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t8c s SER 64 N -1.83 4.35 -0.15 1.61 0.15 -1.22 -0.26 113.70 116.36 1t8c s SER 64 Ca 0.55 -0.80 -0.04 0.00 0.70 0.00 0.00 55.95 56.35 1t8c s SER 64 Cb -0.13 -0.68 -0.03 0.00 -1.71 0.00 0.00 66.02 63.47 1t8c s SER 64 CO 0.67 -0.10 0.00 0.26 1.20 0.00 0.00 173.24 175.27 1t8c s TRP 65 N -2.41 3.13 0.35 3.44 0.51 -1.06 -3.20 118.94 119.70 1t8c s TRP 65 Ca 0.33 -0.06 0.08 0.00 -2.12 0.00 0.00 56.10 54.33 1t8c s TRP 65 Cb -0.04 -1.95 -0.04 0.00 -0.81 0.00 0.00 33.47 30.63 1t8c s TRP 65 CO 0.20 0.15 0.20 0.96 -0.51 0.00 0.00 176.95 177.95 1t8c s ILE 66 N 0.04 3.08 -0.68 2.03 -4.36 -1.26 -3.86 121.20 116.20 1t8c s ILE 66 Ca 0.02 -1.58 -0.07 0.00 -0.26 0.00 0.00 60.65 58.76 1t8c s ILE 66 Cb -0.13 -3.04 -0.18 0.00 1.25 0.00 0.00 42.46 40.37 1t8c s ILE 66 CO 0.02 -0.15 3.15 0.61 0.24 0.00 0.00 174.94 178.81 1t8c n GLY 67 N -1.25 3.40 3.03 6.27 0.00 -1.23 -4.62 105.19 110.79 1t8c n GLY 67 Ca -0.02 -1.25 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 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 1.64 -0.05 0.99 0.20 -1.26 -1.21 118.68 119.06 1t8c s LEU 68 Ca 0.64 -0.36 -0.01 0.00 0.69 0.00 0.00 54.13 55.08 1t8c s LEU 68 Cb 0.24 -0.95 0.03 0.00 -0.43 0.00 0.00 46.19 45.08 1t8c s LEU 68 CO -0.02 0.02 0.03 -0.60 -0.29 0.00 0.00 176.35 175.48 1t8c s ARG 69 N 0.87 0.22 0.29 1.98 3.00 0.12 -3.43 118.95 122.00 1t8c s ARG 69 Ca -0.10 0.24 -0.14 0.00 -1.00 0.00 0.00 55.73 54.74 1t8c s ARG 69 Cb -0.15 -0.67 -0.08 0.00 0.00 0.00 0.00 34.95 34.04 1t8c s ARG 69 CO 0.01 -0.30 0.68 1.21 0.00 0.00 0.00 175.30 176.90 1t8c s ASN 70 N 1.95 6.74 0.00 -2.12 3.84 -1.06 -1.20 114.94 123.09 1t8c s ASN 70 Ca 0.03 1.17 0.00 0.00 0.21 0.00 0.00 52.86 54.28 1t8c s ASN 70 Cb -0.12 -2.33 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 1t8c s ASN 70 CO -0.04 -0.15 0.54 0.18 -2.79 0.00 0.00 177.10 174.84 1t8c n LEU 71 N -0.22 0.18 0.00 3.21 4.77 -1.07 -4.45 117.00 119.42 1t8c n LEU 71 Ca 0.02 0.72 -0.11 0.00 -0.03 0.00 0.00 56.01 56.61 1t8c n LEU 71 Cb 0.53 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1t8c n LEU 71 CO 0.43 -0.43 -0.05 0.47 -1.33 0.00 0.00 177.39 176.48 1t8c n ASP 72 N -1.78 2.24 0.18 -1.43 8.00 -1.26 -4.84 116.55 117.66 1t8c n ASP 72 Ca 0.00 -1.76 -0.14 0.00 0.71 0.00 0.00 54.79 53.60 1t8c n ASP 72 Cb 0.00 0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 1t8c n ASP 72 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1t8c h LEU 73 N 0.00 -0.38 -2.56 0.64 -0.00 -1.88 -3.22 115.31 107.91 1t8c h LEU 73 Ca -0.14 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 1t8c h LEU 73 Cb 0.46 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1t8c h LEU 73 CO 0.24 -0.07 0.00 0.29 -0.00 0.00 0.00 178.44 178.90 1t8c n LYS 74 N -5.18 2.61 0.00 0.17 5.02 -1.26 -4.94 118.16 114.58 1t8c n LYS 74 Ca -0.10 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.75 1t8c n LYS 74 Cb 0.26 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 1.50 -1.27 3.21 0.72 0.00 -1.22 -5.05 105.19 103.08 1t8c n GLY 75 Ca 0.21 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 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 1.83 0.25 1.61 2.02 -1.26 -4.88 118.70 118.27 1t8c s GLU 76 Ca 0.00 -0.74 -0.30 0.00 0.02 0.00 0.00 54.97 53.96 1t8c s GLU 76 Cb 0.00 -1.69 -0.09 0.00 0.10 0.00 0.00 34.13 32.45 1t8c s GLU 76 CO 0.00 0.39 1.08 -0.59 0.02 0.00 0.00 175.26 176.16 1t8c s PHE 77 N -0.32 3.63 0.00 1.61 -0.71 -1.26 -2.59 117.98 118.34 1t8c s PHE 77 Ca 0.04 1.70 0.02 0.00 -1.04 0.00 0.00 56.93 57.64 1t8c s PHE 77 Cb -0.10 -3.25 -0.01 0.00 -1.21 0.00 0.00 43.02 38.46 1t8c s PHE 77 CO 0.01 -0.45 -0.06 0.42 -1.34 0.00 0.00 175.22 173.80 1t8c s ILE 78 N -0.90 0.47 0.56 -4.49 1.01 -0.34 -3.01 121.20 114.49 1t8c s ILE 78 Ca 0.45 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.60 1t8c s ILE 78 Cb -0.31 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 1t8c s ILE 78 CO 0.38 0.08 1.05 0.26 0.00 0.00 0.00 174.94 176.71 1t8c s TRP 79 N -0.26 3.04 0.57 3.97 0.51 -0.20 0.16 118.94 126.73 1t8c s TRP 79 Ca 0.01 1.52 0.25 0.00 -2.12 0.00 0.00 56.10 55.76 1t8c s TRP 79 Cb -0.03 -3.00 1.62 0.00 -0.81 0.00 0.00 33.47 31.25 1t8c s TRP 79 CO -0.00 -0.97 2.20 -0.24 -0.51 0.00 0.00 176.95 177.43 1t8c h VAL 80 N 0.75 0.67 0.00 4.03 3.04 -1.48 0.18 116.25 123.44 1t8c h VAL 80 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1t8c h VAL 80 Cb 1.22 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1t8c h VAL 80 CO 0.58 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.47 1t8c n ASP 81 N -4.07 0.00 -1.15 3.17 2.03 -1.26 -4.85 116.55 110.41 1t8c n ASP 81 Ca -0.02 -1.13 -0.04 0.00 0.52 0.00 0.00 54.79 54.12 1t8c n ASP 81 Cb 0.13 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.54 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 0.59 0.59 2.67 0.27 0.00 0.61 -5.06 105.19 104.86 1t8c n GLY 82 Ca 0.14 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.11 1.29 0.33 1.61 0.01 -1.21 -4.93 113.70 107.70 1t8c s SER 83 Ca 0.08 -0.01 -0.27 0.00 1.31 0.00 0.00 55.95 57.06 1t8c s SER 83 Cb -0.03 -0.16 -0.13 0.00 0.21 0.00 0.00 66.02 65.91 1t8c s SER 83 CO 0.13 -0.26 1.03 0.00 0.41 0.00 0.00 173.24 174.55 1t8c n HIS 84 N 5.29 1.31 -1.48 2.43 1.44 -1.26 -1.03 115.22 121.92 1t8c n HIS 84 Ca -0.04 0.65 -0.36 0.00 -2.01 0.00 0.00 57.72 55.96 1t8c n HIS 84 Cb 0.50 -2.26 0.09 0.00 0.12 0.00 0.00 29.99 28.44 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 0.03 3.69 0.00 0.61 0.31 -1.17 -4.79 118.33 117.02 1t8c n VAL 85 Ca 0.09 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1t8c n VAL 85 Cb 0.34 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 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 -2.11 0.00 0.01 4.52 8.00 -1.26 -4.91 116.55 120.79 1t8c n ASP 86 Ca 0.15 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.46 1t8c n ASP 86 Cb 0.49 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.48 1t8c n ASP 86 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1t8c h TYR 87 N 0.00 0.86 -2.52 1.24 0.05 -1.94 -3.50 116.97 111.17 1t8c h TYR 87 Ca 0.00 -0.44 0.27 0.00 0.05 0.00 0.00 58.73 58.61 1t8c h TYR 87 Cb 0.00 -0.11 -0.09 0.00 1.01 0.00 0.00 36.73 37.54 1t8c h TYR 87 CO 0.00 1.26 -0.53 -1.13 -1.05 0.00 0.00 178.16 176.71 1t8c n SER 88 N -4.05 -6.15 0.00 3.88 3.41 -1.26 -4.90 113.62 104.56 1t8c n SER 88 Ca -0.10 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1t8c n SER 88 Cb 0.74 -3.55 0.00 0.00 -0.26 0.00 0.00 64.21 61.14 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 -4.30 0.00 0.00 4.04 3.02 -1.26 -5.06 115.26 111.70 1t8c n ASN 89 Ca -0.01 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1t8c n ASN 89 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 1t8c n ASN 89 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1t8c n TRP 90 N 0.00 0.00 -1.50 3.10 7.02 -1.26 -4.13 117.44 120.67 1t8c n TRP 90 Ca 0.00 0.00 -0.49 0.00 -1.02 0.00 0.00 57.50 55.99 1t8c n TRP 90 Cb 0.05 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.88 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 0.00 1.25 -1.83 6.99 0.00 0.28 -4.83 120.51 122.36 1t8c n ALA 91 Ca 0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1t8c n ALA 91 Cb 0.00 -2.64 -0.06 0.00 0.00 0.00 0.00 19.45 16.75 1t8c n ALA 91 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1t8c s PRO 92 N 6.11 2.15 0.00 0.00 0.02 -1.26 -2.51 135.00 139.50 1t8c s PRO 92 Ca 1.06 0.17 0.00 0.00 0.02 0.00 0.00 61.00 62.26 1t8c s PRO 92 Cb -0.71 -4.88 0.00 0.00 0.02 0.00 0.00 34.50 28.93 1t8c s PRO 92 CO 0.46 -3.76 0.00 0.41 -0.33 0.00 0.00 177.00 173.77 1t8c n GLY 93 N 6.72 0.14 2.85 0.52 0.00 -1.26 -5.07 105.19 109.08 1t8c n GLY 93 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 1t8c n GLY 93 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t8c n GLU 94 N 0.00 2.03 0.02 1.61 4.07 -1.04 -4.90 120.64 122.43 1t8c n GLU 94 Ca 0.00 -4.53 0.09 0.00 -0.06 0.00 0.00 57.16 52.66 1t8c n GLU 94 Cb 0.00 -2.30 0.38 0.00 -0.06 0.00 0.00 31.44 29.46 1t8c n GLU 94 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1t8c n PRO 95 N 1.80 0.03 0.00 5.31 -0.04 -1.26 -4.85 135.00 135.99 1t8c n PRO 95 Ca 0.22 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1t8c n PRO 95 Cb 0.36 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1t8c n PRO 95 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1t8c n THR 96 N -1.61 0.00 -3.18 0.52 -1.04 -1.26 -4.88 114.28 102.83 1t8c n THR 96 Ca 0.04 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.88 1t8c n THR 96 Cb 0.21 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.76 1t8c n THR 96 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1t8c n SER 97 N -3.17 1.84 -4.01 8.00 7.64 -1.26 -5.09 113.62 117.56 1t8c n SER 97 Ca 0.00 -2.30 -0.32 0.00 1.01 0.00 0.00 58.87 57.27 1t8c n SER 97 Cb 0.00 -0.28 -0.14 0.00 -1.01 0.00 0.00 64.21 62.78 1t8c n SER 97 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1t8c s ARG 98 N -4.07 1.82 0.11 1.43 3.00 -1.26 -4.98 118.95 115.01 1t8c s ARG 98 Ca 0.45 -2.23 0.02 0.00 0.00 0.00 0.00 55.73 53.97 1t8c s ARG 98 Cb -0.04 -3.34 -0.04 0.00 0.00 0.00 0.00 34.95 31.54 1t8c s ARG 98 CO 0.28 -1.04 -0.07 -1.12 0.00 0.00 0.00 175.30 173.35 1t8c s SER 99 N 0.50 1.31 -0.06 0.23 0.01 -1.26 -5.15 113.70 109.27 1t8c s SER 99 Ca 0.14 -1.01 -0.09 0.00 1.31 0.00 0.00 55.95 56.30 1t8c s SER 99 Cb -0.22 0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.03 1t8c s SER 99 CO -0.04 -0.43 0.23 0.00 0.41 0.00 0.00 173.24 173.41 1t8c s GLN 100 N -3.81 3.58 0.00 12.44 -2.07 -1.26 -4.64 119.66 123.91 1t8c s GLN 100 Ca 0.13 0.01 0.00 0.00 -1.82 0.00 0.00 55.36 53.68 1t8c s GLN 100 Cb 0.05 -3.17 0.00 0.00 -1.09 0.00 0.00 33.01 28.80 1t8c s GLN 100 CO -0.03 0.73 0.00 0.41 -1.32 0.00 0.00 175.29 175.07 1t8c n GLY 101 N 1.71 -0.15 3.72 2.60 0.00 -1.26 -5.10 105.19 106.71 1t8c n GLY 101 Ca -0.16 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 1t8c n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t8c s GLU 102 N -1.58 1.30 -0.20 1.61 2.02 -1.26 -4.84 118.70 115.75 1t8c s GLU 102 Ca 0.00 0.87 -0.04 0.00 0.02 0.00 0.00 54.97 55.82 1t8c s GLU 102 Cb 0.00 -1.81 0.10 0.00 0.10 0.00 0.00 34.13 32.52 1t8c s GLU 102 CO 0.00 -2.22 0.30 -0.51 0.02 0.00 0.00 175.26 172.85 1t8c s ASP 103 N -3.38 0.58 -0.02 -0.19 1.11 -1.26 -4.26 116.67 109.25 1t8c s ASP 103 Ca 0.63 0.24 -0.15 0.00 0.18 0.00 0.00 52.55 53.45 1t8c s ASP 103 Cb -0.18 0.81 0.03 0.00 1.07 0.00 0.00 42.92 44.64 1t8c s ASP 103 CO 0.57 -0.29 0.32 0.00 1.18 0.00 0.00 175.17 176.96 1t8c s VAL 105 N -1.26 5.11 0.36 0.00 1.01 -1.22 -2.57 120.40 121.84 1t8c s VAL 105 Ca -0.13 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1t8c s VAL 105 Cb -0.05 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.00 1t8c s VAL 105 CO 0.04 0.53 -0.01 0.00 0.00 0.00 0.00 175.10 175.66 1t8c s MET 106 N -0.30 1.97 -0.07 2.72 0.23 0.12 -4.24 119.30 119.72 1t8c s MET 106 Ca 0.10 -1.90 0.03 0.00 -1.03 0.00 0.00 55.69 52.88 1t8c s MET 106 Cb -0.12 -1.79 0.01 0.00 -1.53 0.00 0.00 34.83 31.40 1t8c s MET 106 CO 0.01 0.08 -0.17 1.41 -2.03 0.00 0.00 175.02 174.32 1t8c s MET 107 N -3.69 2.16 0.00 3.16 1.75 -1.19 0.12 119.30 121.60 1t8c s MET 107 Ca 0.35 -0.59 0.00 0.00 -1.25 0.00 0.00 55.69 54.19 1t8c s MET 107 Cb 0.03 -1.72 0.00 0.00 2.84 0.00 0.00 34.83 35.98 1t8c s MET 107 CO 0.18 0.10 0.00 -2.13 -0.65 0.00 0.00 175.02 172.53 1t8c n ARG 108 N 3.64 0.00 -1.56 4.11 0.00 -0.64 -3.38 116.66 118.83 1t8c n ARG 108 Ca -0.21 0.00 -0.51 0.00 -0.00 0.00 0.00 57.85 57.13 1t8c n ARG 108 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.93 1t8c n ARG 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1t8c n GLY 109 N 0.00 -0.03 2.39 5.14 0.00 -1.26 -0.40 105.19 111.03 1t8c n GLY 109 Ca 0.00 0.60 -0.18 0.00 0.00 0.00 0.00 46.02 46.44 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 2.06 -4.94 -3.98 1.61 7.64 -1.26 -2.08 113.62 112.66 1t8c n SER 110 Ca 0.17 0.20 -0.30 0.00 1.01 0.00 0.00 58.87 59.95 1t8c n SER 110 Cb 0.21 -4.25 0.01 0.00 -1.01 0.00 0.00 64.21 59.17 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 -0.71 -0.43 0.00 0.23 0.00 0.46 -4.91 105.19 99.83 1t8c n GLY 111 Ca -0.20 0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1t8c n GLY 111 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1t8c n ARG 112 N -4.54 0.00 -4.00 1.61 1.85 -0.88 -4.78 116.66 105.92 1t8c n ARG 112 Ca -0.02 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.61 1t8c n ARG 112 Cb 0.55 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.91 1t8c n ARG 112 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1t8c s TRP 113 N 1.26 2.86 -0.11 2.89 0.52 -1.26 -1.62 118.94 123.48 1t8c s TRP 113 Ca 0.00 -0.28 -0.04 0.00 0.02 0.00 0.00 56.10 55.80 1t8c s TRP 113 Cb 0.00 -1.61 0.06 0.00 -1.15 0.00 0.00 33.47 30.76 1t8c s TRP 113 CO 0.00 0.34 0.21 -0.80 0.02 0.00 0.00 176.95 176.72 1t8c s ASN 114 N -3.89 0.57 -0.41 2.95 0.01 0.32 0.98 114.94 115.47 1t8c s ASN 114 Ca 0.37 0.45 -0.21 0.00 -0.71 0.00 0.00 52.86 52.76 1t8c s ASN 114 Cb -0.05 0.50 0.02 0.00 0.41 0.00 0.00 41.25 42.12 1t8c s ASN 114 CO 0.24 -0.25 0.68 -0.62 -1.51 0.00 0.00 177.10 175.65 1t8c s ASP 115 N 2.36 6.39 0.16 -1.22 -1.08 -1.26 -0.70 116.67 121.32 1t8c s ASP 115 Ca 0.02 -0.09 -0.11 0.00 -0.52 0.00 0.00 52.55 51.85 1t8c s ASP 115 Cb -0.12 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1t8c s ASP 115 CO -0.07 -0.75 0.34 0.00 0.52 0.00 0.00 175.17 175.21 1t8c s ALA 116 N 2.91 -0.31 -0.05 3.66 0.00 -1.06 -4.89 121.76 122.03 1t8c s ALA 116 Ca 0.25 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1t8c s ALA 116 Cb -0.14 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1t8c s ALA 116 CO 0.18 -0.67 0.44 1.97 0.00 0.00 0.00 175.76 177.68 1t8c n PHE 117 N -0.23 0.00 -2.41 0.00 1.16 -1.26 -1.39 117.46 113.33 1t8c n PHE 117 Ca -0.09 -0.21 -0.14 0.00 -1.87 0.00 0.00 57.45 55.13 1t8c n PHE 117 Cb 0.63 -0.16 -0.01 0.00 -1.61 0.00 0.00 39.48 38.33 1t8c n PHE 117 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1t8c n ASP 119 N -1.82 0.00 -0.43 0.00 2.03 -1.26 -4.79 116.55 110.28 1t8c n ASP 119 Ca -0.17 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.65 1t8c n ASP 119 Cb 0.62 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1t8c n ASP 119 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1t8c n ARG 120 N -1.14 2.69 -3.65 -0.67 3.00 -1.26 -5.15 116.66 110.49 1t8c n ARG 120 Ca 0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.97 1t8c n ARG 120 Cb 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.55 1t8c n ARG 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1t8c s LYS 121 N 1.72 0.54 0.00 5.56 2.20 -1.26 -5.04 119.74 123.46 1t8c s LYS 121 Ca 0.00 1.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 1t8c s LYS 121 Cb 0.00 0.65 0.00 0.00 -1.51 0.00 0.00 37.83 36.97 1t8c s LYS 121 CO 0.00 -0.20 0.00 1.28 -0.36 0.00 0.00 175.35 176.07 1t8c n LEU 122 N 5.25 0.00 -0.22 5.43 4.32 -1.26 -4.94 117.00 125.58 1t8c n LEU 122 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 1t8c n LEU 122 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1t8c n LEU 122 CO -0.03 0.00 0.11 0.61 -1.22 0.00 0.00 177.39 176.86 1t8c n GLY 123 N 5.00 0.97 3.12 -0.72 0.00 -1.18 -4.80 105.19 107.57 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 -0.65 -0.28 4.61 0.00 0.64 -1.60 121.76 124.48 1t8c s ALA 124 Ca 0.00 0.95 -0.08 0.00 0.00 0.00 0.00 51.96 52.83 1t8c s ALA 124 Cb 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 1t8c s ALA 124 CO 0.00 -0.17 0.09 1.67 0.00 0.00 0.00 175.76 177.35 1t8c s TRP 125 N 0.80 3.13 -0.08 0.00 1.48 -0.43 -2.55 118.94 121.29 1t8c s TRP 125 Ca -0.05 -0.68 0.01 0.00 -1.06 0.00 0.00 56.10 54.32 1t8c s TRP 125 Cb -0.07 -2.27 -0.03 0.00 -1.16 0.00 0.00 33.47 29.95 1t8c s TRP 125 CO -0.05 -0.47 -0.10 0.08 -4.06 0.00 0.00 176.95 172.35 1t8c s VAL 126 N 1.57 3.41 0.16 -0.66 1.01 -1.25 -0.11 120.40 124.53 1t8c s VAL 126 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1t8c s VAL 126 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1t8c s VAL 126 CO 0.04 0.58 0.05 0.00 0.00 0.00 0.00 175.10 175.76 1t8c s ASP 128 N -3.12 2.27 -0.01 0.00 -4.77 0.16 0.94 116.67 112.14 1t8c s ASP 128 Ca 0.27 -0.46 -0.26 0.00 -3.30 0.00 0.00 52.55 48.80 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 0.04 0.16 0.57 -0.60 0.70 0.00 0.00 175.17 176.04 1t8c s ARG 129 N -0.98 0.99 0.21 2.11 6.06 0.09 0.85 118.95 128.29 1t8c s ARG 129 Ca 0.06 0.03 -0.30 0.00 -2.50 0.00 0.00 55.73 53.02 1t8c s ARG 129 Cb -0.08 0.46 -0.09 0.00 0.06 0.00 0.00 34.95 35.29 1t8c s ARG 129 CO 0.01 -0.32 1.42 -0.51 -2.50 0.00 0.00 175.30 173.40 1t8c s LEU 130 N -1.47 4.39 1.00 -0.88 2.01 -1.26 -0.01 118.68 122.47 1t8c s LEU 130 Ca -0.10 2.55 -0.16 0.00 0.01 0.00 0.00 54.13 56.44 1t8c s LEU 130 Cb -0.01 -3.61 0.02 0.00 0.01 0.00 0.00 46.19 42.60 1t8c s LEU 130 CO 0.05 -0.67 0.06 0.00 1.01 0.00 0.00 176.35 176.80 1t8c n ALA 131 N 2.85 -3.52 -3.13 4.21 0.00 -1.19 -4.76 120.51 114.97 1t8c n ALA 131 Ca 0.08 -0.84 -0.45 0.00 0.00 0.00 0.00 53.44 52.23 1t8c n ALA 131 Cb 0.41 -1.60 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1t8c n ALA 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1t8c s THR 132 N -2.29 5.28 0.43 0.00 2.01 -1.26 -4.99 115.64 114.81 1t8c s THR 132 Ca 0.54 -2.36 0.03 0.00 0.31 0.00 0.00 61.69 60.21 1t8c s THR 132 Cb -0.17 -4.68 -0.03 0.00 0.01 0.00 0.00 72.50 67.64 1t8c s THR 132 CO 0.69 -1.32 0.08 0.00 -0.69 0.00 0.00 174.62 173.38 1t8c s THR 134 N -3.11 4.79 -0.21 0.00 -4.23 -1.26 -4.96 115.64 106.67 1t8c s THR 134 Ca 0.20 0.79 -0.29 0.00 -1.18 0.00 0.00 61.69 61.21 1t8c s THR 134 Cb 0.03 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 1t8c s THR 134 CO 0.12 -0.02 1.74 -2.16 -0.54 0.00 0.00 174.62 173.76 1t8c s PRO 135 N -2.61 3.70 -0.44 3.99 0.04 -1.26 -4.90 135.00 133.52 1t8c s PRO 135 Ca 0.47 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 1t8c s PRO 135 Cb -0.12 -4.10 -0.09 0.00 0.04 0.00 0.00 34.50 30.22 1t8c s PRO 135 CO 0.19 -1.41 2.34 -2.30 0.04 0.00 0.00 177.00 175.86 1t8c n PRO 136 N 7.86 1.16 -0.02 0.56 -0.02 -1.26 -4.85 135.00 138.43 1t8c n PRO 136 Ca 0.21 0.21 -0.01 0.00 -2.02 0.00 0.00 63.50 61.89 1t8c n PRO 136 Cb 0.45 -2.90 -0.00 0.00 -0.02 0.00 0.00 33.50 31.03 1t8c n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t8c h ALA 137 N 15.60 0.00 -3.14 3.55 0.00 -2.06 -3.47 119.26 129.74 1t8c h ALA 137 Ca -0.27 -0.19 -0.68 0.00 0.00 0.00 0.00 54.91 53.77 1t8c h ALA 137 Cb 1.28 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 19.03 1t8c h ALA 137 CO 1.10 0.09 -0.58 -1.54 0.00 0.00 0.00 179.25 178.31 1t8c s SER 138 N -4.02 5.55 0.54 0.00 1.04 -1.26 -5.09 113.70 110.47 1t8c s SER 138 Ca -0.03 0.23 -0.20 0.00 0.48 0.00 0.00 55.95 56.43 1t8c s SER 138 Cb 0.00 -1.65 -0.05 0.00 0.10 0.00 0.00 66.02 64.42 1t8c s SER 138 CO 0.04 0.38 1.18 -0.70 0.98 0.00 0.00 173.24 175.11 1t8c s GLU 139 N -0.87 3.29 -0.11 4.02 2.12 -1.26 -4.93 118.70 120.94 1t8c s GLU 139 Ca 0.13 1.75 -0.29 0.00 0.36 0.00 0.00 54.97 56.92 1t8c s GLU 139 Cb -0.12 -2.07 -0.04 0.00 0.26 0.00 0.00 34.13 32.17 1t8c s GLU 139 CO 0.03 -0.94 1.59 0.20 -0.54 0.00 0.00 175.26 175.60 1t8c s GLY 140 N -1.58 1.47 -0.04 -1.50 0.00 -1.26 -4.88 107.32 99.52 1t8c s GLY 140 Ca 0.73 0.75 -0.06 0.00 0.00 0.00 0.00 44.72 46.13 1t8c s GLY 140 CO 0.32 2.95 -0.12 -1.14 0.00 0.00 0.00 173.10 175.11 1t8c n SER 141 N 7.41 0.93 0.00 1.64 3.41 -1.26 -4.99 113.62 120.75 1t8c n SER 141 Ca 0.17 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1t8c n SER 141 Cb 0.44 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1t8c n SER 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t8c n ALA 142 N -3.41 0.00 1.19 7.33 0.00 -1.26 -5.35 120.51 119.01 1t8c n ALA 142 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.49 1t8c n ALA 142 Cb 0.18 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.20 1t8c n ALA 142 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89