#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 0.23 3.85 5.00 0.00 -1.26 -5.12 105.19 107.89 1t8c n GLY 2 Ca 0.00 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.69 3.48 0.54 1.61 0.08 -1.26 -5.07 117.98 113.67 1t8c s PHE 3 Ca 0.00 1.38 -0.09 0.00 0.12 0.00 0.00 56.93 58.34 1t8c s PHE 3 Cb 0.00 -2.73 0.13 0.00 -0.57 0.00 0.00 43.02 39.85 1t8c s PHE 3 CO 0.00 -0.37 0.56 1.33 -0.10 0.00 0.00 175.22 176.64 1t8c n VAL 4 N -1.69 0.00 -3.08 -0.44 0.24 -1.26 -4.68 118.33 107.42 1t8c n VAL 4 Ca 0.06 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 61.93 1t8c n VAL 4 Cb 0.54 -1.32 0.01 0.00 -1.47 0.00 0.00 33.84 31.60 1t8c n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1t8c n ASN 6 N -0.84 -1.25 -0.54 0.00 4.13 -1.25 -4.95 115.26 110.54 1t8c n ASN 6 Ca 0.02 -1.98 0.13 0.00 1.68 0.00 0.00 54.58 54.43 1t8c n ASN 6 Cb 0.52 0.67 0.45 0.00 -1.54 0.00 0.00 39.78 39.87 1t8c n ASN 6 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1t8c n THR 7 N -0.95 0.09 -3.72 3.41 5.66 -1.26 -4.60 114.28 112.92 1t8c n THR 7 Ca -0.12 -0.31 -0.35 0.00 -3.05 0.00 0.00 64.05 60.22 1t8c n THR 7 Cb 0.78 0.50 -0.09 0.00 -1.55 0.00 0.00 70.33 69.97 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 2.79 0.00 0.00 0.00 -0.04 -1.26 -4.86 135.00 131.63 1t8c n PRO 9 Ca 0.15 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1t8c n PRO 9 Cb 0.37 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 1t8c n PRO 9 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1t8c n GLU 10 N -1.21 0.00 -0.33 0.54 1.02 -1.26 -4.83 120.64 114.58 1t8c n GLU 10 Ca 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.33 1t8c n GLU 10 Cb 0.00 0.00 0.44 0.00 -0.02 0.00 0.00 31.44 31.86 1t8c n GLU 10 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1t8c h LYS 11 N 0.00 0.51 -6.98 3.49 2.10 -1.94 -3.40 116.57 110.35 1t8c h LYS 11 Ca 0.00 -0.03 -0.52 0.00 -2.00 0.00 0.00 60.65 58.10 1t8c h LYS 11 Cb 0.00 -0.12 0.07 0.00 -0.90 0.00 0.00 32.23 31.29 1t8c h LYS 11 CO 0.00 0.34 0.53 -1.58 -2.00 0.00 0.00 179.45 176.74 1t8c s TRP 12 N -5.63 2.84 -0.04 0.07 0.52 -1.25 -4.09 118.94 111.36 1t8c s TRP 12 Ca -0.10 1.49 -0.01 0.00 0.02 0.00 0.00 56.10 57.51 1t8c s TRP 12 Cb 0.25 -3.50 0.03 0.00 -1.15 0.00 0.00 33.47 29.11 1t8c s TRP 12 CO 0.80 -1.76 0.02 0.42 0.02 0.00 0.00 176.95 176.45 1t8c s ILE 13 N -1.42 0.08 0.12 2.03 -1.09 -0.62 -4.52 121.20 115.79 1t8c s ILE 13 Ca 0.62 0.21 0.06 0.00 -2.23 0.00 0.00 60.65 59.30 1t8c s ILE 13 Cb -0.33 -0.24 -0.04 0.00 -1.58 0.00 0.00 42.46 40.27 1t8c s ILE 13 CO 0.40 0.16 -0.01 0.21 -1.23 0.00 0.00 174.94 174.47 1t8c s ASN 14 N 1.47 4.85 0.00 3.58 2.47 -1.26 0.11 114.94 126.16 1t8c s ASN 14 Ca -0.04 -0.28 0.00 0.00 0.42 0.00 0.00 52.86 52.96 1t8c s ASN 14 Cb -0.13 -1.09 0.00 0.00 -1.45 0.00 0.00 41.25 38.59 1t8c s ASN 14 CO -0.03 0.14 0.00 0.49 -3.72 0.00 0.00 177.10 173.99 1t8c n PHE 15 N 0.34 0.00 -0.26 0.43 3.72 0.15 -4.95 117.46 116.88 1t8c n PHE 15 Ca -0.11 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.36 1t8c n PHE 15 Cb 0.53 0.00 0.21 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 0.33 0.00 -1.08 3.07 -2.04 -3.39 115.11 112.00 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 0.22 0.00 2.89 0.09 0.00 0.00 178.83 182.03 1t8c n ARG 17 N -5.10 0.00 -4.30 0.06 1.85 -1.26 -5.14 116.66 102.77 1t8c n ARG 17 Ca 0.16 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.77 1t8c n ARG 17 Cb 0.49 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.82 1t8c n ARG 17 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1t8c s LYS 18 N 0.00 2.20 0.30 2.89 0.00 -1.26 -2.72 119.74 121.15 1t8c s LYS 18 Ca 0.00 -1.39 0.06 0.00 0.00 0.00 0.00 55.97 54.64 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 -0.03 0.00 0.00 0.00 0.00 175.35 175.70 1t8c s TYR 20 N -3.04 1.98 -0.42 0.00 1.51 0.30 -0.80 117.35 116.88 1t8c s TYR 20 Ca 0.31 -0.70 -0.16 0.00 -1.01 0.00 0.00 57.07 55.51 1t8c s TYR 20 Cb 0.05 -1.35 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 1t8c s TYR 20 CO 0.13 -0.28 0.37 -0.47 -1.11 0.00 0.00 175.55 174.19 1t8c s TYR 21 N 0.29 3.21 -0.25 2.71 5.04 0.26 -1.59 117.35 127.02 1t8c s TYR 21 Ca -0.12 -0.51 -0.13 0.00 -2.44 0.00 0.00 57.07 53.87 1t8c s TYR 21 Cb -0.15 -2.76 -0.04 0.00 0.35 0.00 0.00 41.96 39.36 1t8c s TYR 21 CO 0.05 -0.65 0.30 -0.06 -1.34 0.00 0.00 175.55 173.84 1t8c s PHE 22 N 1.89 3.29 0.35 4.97 0.40 -1.26 -0.52 117.98 127.10 1t8c s PHE 22 Ca 0.08 0.37 0.04 0.00 -0.60 0.00 0.00 56.93 56.83 1t8c s PHE 22 Cb -0.18 -2.45 -0.03 0.00 0.51 0.00 0.00 43.02 40.86 1t8c s PHE 22 CO 0.11 -0.08 0.18 0.20 0.70 0.00 0.00 175.22 176.33 1t8c s GLY 23 N 1.35 2.31 0.19 4.36 0.00 0.66 -4.76 107.32 111.44 1t8c s GLY 23 Ca 0.13 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.22 1t8c s GLY 23 CO 0.08 -1.64 -0.06 0.54 0.00 0.00 0.00 173.10 172.03 1t8c s LYS 24 N -3.68 1.22 0.00 2.90 1.02 -1.26 -0.90 119.74 119.04 1t8c s LYS 24 Ca 0.33 -1.58 0.00 0.00 0.02 0.00 0.00 55.97 54.75 1t8c s LYS 24 Cb 0.03 -0.67 0.00 0.00 -0.52 0.00 0.00 37.83 36.68 1t8c s LYS 24 CO 0.19 0.00 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 1t8c n GLY 25 N -0.32 0.88 7.00 -3.33 0.00 0.63 -4.69 105.19 105.37 1t8c n GLY 25 Ca -0.07 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.26 114.28 110.33 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 -0.93 0.00 -1.13 -2.82 5.02 -1.26 -5.03 118.16 112.01 1t8c n LYS 27 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1t8c n LYS 27 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1t8c n LYS 27 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1t8c n GLN 28 N -0.74 2.79 0.02 1.97 6.02 -1.26 -4.86 117.38 121.32 1t8c n GLN 28 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1t8c n GLN 28 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 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 0.55 0.00 -0.57 1.08 7.01 -1.99 -2.43 115.95 119.61 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 -0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.03 1t8c h TRP 29 CO 0.00 0.14 0.40 -0.39 -2.79 0.00 0.00 178.44 175.80 1t8c h VAL 30 N -0.13 0.77 -0.04 2.65 -1.51 -1.98 0.20 116.25 116.20 1t8c h VAL 30 Ca 0.00 -0.04 -0.14 0.00 -1.23 0.00 0.00 66.70 65.28 1t8c h VAL 30 Cb 0.14 0.63 -0.01 0.00 -2.13 0.00 0.00 31.29 29.91 1t8c h VAL 30 CO -0.00 0.02 -0.62 0.45 -1.23 0.00 0.00 177.57 176.19 1t8c h HIS 31 N 0.13 0.19 -0.04 5.19 3.86 -1.84 -2.04 115.15 120.61 1t8c h HIS 31 Ca 0.27 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1t8c h HIS 31 Cb 0.90 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.34 1t8c h HIS 31 CO -0.00 0.73 -0.07 0.00 0.86 0.00 0.00 177.93 179.45 1t8c h ALA 32 N 1.25 0.06 -0.78 2.45 0.00 -0.21 0.03 119.26 122.07 1t8c h ALA 32 Ca -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1t8c h ALA 32 Cb 1.12 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1t8c h ALA 32 CO 0.09 -0.11 0.37 0.07 0.00 0.00 0.00 179.25 179.67 1t8c h ARG 33 N -0.39 1.12 -0.21 0.00 -0.00 -1.39 -0.51 114.38 113.00 1t8c h ARG 33 Ca 0.00 -0.16 -0.20 0.00 -0.00 0.00 0.00 59.98 59.62 1t8c h ARG 33 Cb 0.62 -0.20 0.00 0.00 -0.00 0.00 0.00 29.97 30.40 1t8c h ARG 33 CO 0.02 0.86 -0.67 -0.92 -0.00 0.00 0.00 179.97 179.26 1t8c h TYR 34 N 1.11 1.04 -0.44 4.08 5.03 -1.38 -1.15 116.97 125.26 1t8c h TYR 34 Ca 0.27 -0.42 -0.12 0.00 2.58 0.00 0.00 58.73 61.04 1t8c h TYR 34 Cb 0.12 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 1t8c h TYR 34 CO 0.01 1.24 -0.21 0.00 -1.32 0.00 0.00 178.16 177.88 1t8c h ALA 35 N 0.65 0.80 0.00 1.82 0.00 -0.72 -2.12 119.26 119.69 1t8c h ALA 35 Ca -0.02 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1t8c h ALA 35 Cb 1.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1t8c h ALA 35 CO 0.14 0.65 -0.55 0.00 0.00 0.00 0.00 179.25 179.49 1t8c h ASP 37 N 0.00 0.00 -0.99 0.00 5.19 -0.98 0.07 116.42 119.71 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 1.32 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.76 1t8c h ASP 37 CO 0.07 0.19 0.65 -0.78 -3.12 0.00 0.00 179.24 176.24 1t8c h ASP 38 N 0.00 1.06 0.00 6.45 1.82 -1.31 -3.44 116.42 121.00 1t8c h ASP 38 Ca -0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1t8c h ASP 38 Cb 0.90 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.68 1t8c h ASP 38 CO 0.02 0.70 0.00 0.23 -1.61 0.00 0.00 179.24 178.59 1t8c n MET 39 N -4.46 0.00 0.00 0.28 2.81 -1.22 -5.07 117.12 109.46 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 -0.18 0.00 0.00 0.03 -0.58 -0.85 -5.01 120.64 114.05 1t8c n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1t8c n GLU 40 Cb 0.00 -0.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 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 -0.01 -0.11 3.36 0.62 0.00 -0.05 -4.81 105.19 104.20 1t8c n GLY 41 Ca 0.00 0.38 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 0.72 1.13 -0.32 1.61 2.00 0.22 -4.56 119.66 120.47 1t8c s GLN 42 Ca 0.00 -0.89 -0.29 0.00 -2.00 0.00 0.00 55.36 52.18 1t8c s GLN 42 Cb 0.00 0.44 -0.00 0.00 0.80 0.00 0.00 33.01 34.25 1t8c s GLN 42 CO 0.00 -0.44 1.45 -1.17 -0.50 0.00 0.00 175.29 174.63 1t8c s LEU 43 N -2.87 3.76 0.00 3.68 2.96 -1.26 0.34 118.68 125.29 1t8c s LEU 43 Ca 0.08 1.18 -0.00 0.00 -0.22 0.00 0.00 54.13 55.17 1t8c s LEU 43 Cb 0.02 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.17 1t8c s LEU 43 CO -0.07 -1.28 0.17 1.33 -1.32 0.00 0.00 176.35 175.17 1t8c n VAL 44 N 6.63 -0.01 -3.18 1.68 0.24 -1.25 -3.54 118.33 118.89 1t8c n VAL 44 Ca 0.17 0.25 -0.14 0.00 -2.04 0.00 0.00 64.34 62.58 1t8c n VAL 44 Cb 0.47 -0.33 0.07 0.00 -1.47 0.00 0.00 33.84 32.58 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 -2.34 -3.00 -4.53 -1.34 2.88 -1.26 -4.59 113.62 99.44 1t8c n SER 45 Ca 0.00 -0.55 -0.51 0.00 -1.33 0.00 0.00 58.87 56.48 1t8c n SER 45 Cb 0.00 -4.52 -0.05 0.00 -0.75 0.00 0.00 64.21 58.90 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 -3.53 0.89 -0.16 2.46 -0.00 -1.26 -4.80 119.36 112.95 1t8c n ILE 46 Ca -0.20 -0.22 0.00 0.00 -0.00 0.00 0.00 62.75 62.32 1t8c n ILE 46 Cb 0.64 -0.49 0.00 0.00 -0.00 0.00 0.00 39.64 39.78 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 1.23 0.00 -4.13 4.28 1.44 -1.26 -4.82 115.22 111.96 1t8c n HIS 47 Ca 0.17 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.54 1t8c n HIS 47 Cb 0.21 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.17 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 -0.31 3.81 0.55 4.39 0.01 -1.26 -4.86 113.70 116.04 1t8c s SER 48 Ca 0.00 -0.48 0.42 0.00 1.31 0.00 0.00 55.95 57.20 1t8c s SER 48 Cb 0.00 -1.62 1.61 0.00 0.21 0.00 0.00 66.02 66.22 1t8c s SER 48 CO 0.00 0.02 1.71 -0.65 0.41 0.00 0.00 173.24 174.72 1t8c h PRO 49 N 7.84 0.00 -0.06 12.44 0.11 -1.97 0.55 132.00 150.91 1t8c h PRO 49 Ca -0.40 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 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 0.61 0.00 -0.26 1.49 -0.21 0.00 0.00 178.00 179.62 1t8c h GLU 50 N 0.00 0.28 -0.49 1.05 4.81 -1.97 -1.24 114.58 117.02 1t8c h GLU 50 Ca 0.70 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.65 1t8c h GLU 50 Cb 2.85 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 32.25 1t8c h GLU 50 CO -0.01 0.87 0.10 0.93 -0.73 0.00 0.00 179.01 180.17 1t8c h GLU 51 N -0.25 0.80 -0.60 1.92 5.08 -0.42 0.46 114.58 121.58 1t8c h GLU 51 Ca -0.02 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 1t8c h GLU 51 Cb 0.92 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1t8c h GLU 51 CO 0.05 0.79 0.04 -0.56 -1.00 0.00 0.00 179.01 178.33 1t8c h GLN 52 N 0.68 1.04 -0.22 2.33 -0.00 -1.07 -2.24 115.11 115.62 1t8c h GLN 52 Ca 0.15 -0.31 -0.10 0.00 -0.00 0.00 0.00 58.65 58.39 1t8c h GLN 52 Cb 0.37 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 27.73 1t8c h GLN 52 CO 0.01 1.00 -0.30 0.22 -0.00 0.00 0.00 178.83 179.75 1t8c h ASP 53 N 0.94 0.46 0.16 0.06 3.58 -0.98 0.59 116.42 121.23 1t8c h ASP 53 Ca 0.17 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1t8c h ASP 53 Cb 0.51 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1t8c h ASP 53 CO 0.02 0.74 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.79 1t8c h PHE 54 N 0.39 -0.19 -0.07 0.28 0.04 0.42 0.42 116.94 118.24 1t8c h PHE 54 Ca 0.05 -0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.59 1t8c h PHE 54 Cb 0.73 0.06 0.01 0.00 2.20 0.00 0.00 35.95 38.95 1t8c h PHE 54 CO 0.02 -0.12 -0.87 1.37 -0.60 0.00 0.00 178.31 178.11 1t8c h LEU 55 N -0.21 0.77 -1.10 1.54 8.10 -1.39 -0.39 115.31 122.64 1t8c h LEU 55 Ca -0.02 -0.55 0.00 0.00 0.11 0.00 0.00 57.88 57.42 1t8c h LEU 55 Cb 0.16 -0.23 -0.04 0.00 -0.44 0.00 0.00 40.66 40.11 1t8c h LEU 55 CO 0.04 1.34 0.56 0.74 -4.11 0.00 0.00 178.44 177.01 1t8c h THR 56 N 0.39 1.23 -0.01 0.15 2.02 -0.75 0.56 112.91 116.50 1t8c h THR 56 Ca -0.07 -0.46 -0.21 0.00 0.77 0.00 0.00 66.41 66.43 1t8c h THR 56 Cb 1.50 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1t8c h THR 56 CO 0.17 0.23 -0.89 0.11 0.37 0.00 0.00 175.52 175.51 1t8c h LYS 57 N 1.20 0.36 -0.15 6.66 1.57 -0.11 -3.00 116.57 123.11 1t8c h LYS 57 Ca 0.32 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1t8c h LYS 57 Cb -0.10 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1t8c h LYS 57 CO -0.07 1.05 -0.14 1.25 -0.57 0.00 0.00 179.45 180.97 1t8c h HIS 58 N 0.21 0.25 -1.88 -1.35 2.76 0.23 -3.39 115.15 111.99 1t8c h HIS 58 Ca -0.06 -0.03 -0.49 0.00 -2.20 0.00 0.00 60.37 57.59 1t8c h HIS 58 Cb 1.52 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 30.35 1t8c h HIS 58 CO 0.05 0.38 1.21 0.00 -1.30 0.00 0.00 177.93 178.27 1t8c s ALA 59 N -4.70 2.30 0.00 5.26 0.00 0.18 -4.91 121.76 119.90 1t8c s ALA 59 Ca -0.05 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1t8c s ALA 59 Cb 0.15 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.94 1t8c s ALA 59 CO 0.73 -3.82 0.31 0.43 0.00 0.00 0.00 175.76 173.41 1t8c n SER 60 N 11.74 0.00 -0.46 0.00 7.64 -1.26 -4.49 113.62 126.79 1t8c n SER 60 Ca 0.19 0.31 0.04 0.00 1.01 0.00 0.00 58.87 60.42 1t8c n SER 60 Cb 0.51 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.80 1t8c n SER 60 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1t8c n HIS 61 N -0.34 0.24 -3.80 1.43 -0.00 -1.26 -4.91 115.22 106.59 1t8c n HIS 61 Ca 0.00 -0.33 -0.28 0.00 0.46 0.00 0.00 57.72 57.57 1t8c n HIS 61 Cb 0.00 -0.02 -0.16 0.00 -0.12 0.00 0.00 29.99 29.69 1t8c n HIS 61 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1t8c s THR 62 N -0.91 0.81 1.18 3.57 -4.23 -1.26 -4.85 115.64 109.95 1t8c s THR 62 Ca 0.16 -0.71 -0.17 0.00 -1.18 0.00 0.00 61.69 59.78 1t8c s THR 62 Cb 0.09 -1.23 0.21 0.00 1.34 0.00 0.00 72.50 72.92 1t8c s THR 62 CO 0.12 -0.15 0.46 0.61 -0.54 0.00 0.00 174.62 175.13 1t8c n GLY 63 N 4.95 -2.59 3.69 3.99 0.00 -1.26 -4.08 105.19 109.89 1t8c n GLY 63 Ca -0.10 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.64 1t8c n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t8c s SER 64 N -2.18 4.79 -0.16 1.61 1.04 -1.26 -0.84 113.70 116.71 1t8c s SER 64 Ca 0.59 -0.53 -0.06 0.00 0.48 0.00 0.00 55.95 56.43 1t8c s SER 64 Cb -0.15 -0.99 -0.04 0.00 0.10 0.00 0.00 66.02 64.94 1t8c s SER 64 CO 0.61 -0.00 0.05 0.26 0.98 0.00 0.00 173.24 175.13 1t8c s TRP 65 N -2.24 3.23 0.37 5.02 0.51 -1.07 -4.05 118.94 120.72 1t8c s TRP 65 Ca 0.31 0.08 0.08 0.00 -2.12 0.00 0.00 56.10 54.45 1t8c s TRP 65 Cb -0.07 -2.01 -0.04 0.00 -0.81 0.00 0.00 33.47 30.54 1t8c s TRP 65 CO 0.21 0.22 0.17 0.96 -0.51 0.00 0.00 176.95 178.01 1t8c s ILE 66 N 0.07 2.72 -0.46 2.03 -4.36 -1.26 -3.88 121.20 116.06 1t8c s ILE 66 Ca 0.04 -1.68 -0.06 0.00 -0.26 0.00 0.00 60.65 58.70 1t8c s ILE 66 Cb -0.12 -2.98 -0.16 0.00 1.25 0.00 0.00 42.46 40.45 1t8c s ILE 66 CO 0.01 -0.10 2.75 0.61 0.24 0.00 0.00 174.94 178.45 1t8c n GLY 67 N -1.21 2.94 3.09 6.27 0.00 -1.23 -4.65 105.19 110.40 1t8c n GLY 67 Ca -0.02 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1t8c n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t8c s LEU 68 N 0.05 1.80 -0.03 0.99 1.43 -1.26 -1.60 118.68 120.06 1t8c s LEU 68 Ca 0.52 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1t8c s LEU 68 Cb 0.21 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 45.32 1t8c s LEU 68 CO -0.02 0.05 0.03 -0.60 0.23 0.00 0.00 176.35 176.04 1t8c s ARG 69 N 0.82 0.10 0.56 1.70 3.00 0.11 -3.87 118.95 121.37 1t8c s ARG 69 Ca -0.10 0.20 -0.07 0.00 -1.00 0.00 0.00 55.73 54.76 1t8c s ARG 69 Cb -0.16 -0.43 -0.02 0.00 0.00 0.00 0.00 34.95 34.35 1t8c s ARG 69 CO 0.01 -0.21 0.89 1.21 0.00 0.00 0.00 175.30 177.20 1t8c s ASN 70 N 1.39 5.96 -1.03 -2.12 3.84 -0.09 -0.24 114.94 122.65 1t8c s ASN 70 Ca -0.05 0.95 -0.20 0.00 0.21 0.00 0.00 52.86 53.77 1t8c s ASN 70 Cb -0.13 -2.07 0.09 0.00 -0.55 0.00 0.00 41.25 38.59 1t8c s ASN 70 CO -0.03 -0.85 1.37 -0.76 -2.79 0.00 0.00 177.10 174.04 1t8c s LEU 71 N -4.95 4.19 0.00 3.21 1.43 -0.86 -4.76 118.68 116.94 1t8c s LEU 71 Ca 0.52 -1.87 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 1t8c s LEU 71 Cb -0.11 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.62 1t8c s LEU 71 CO 0.47 -1.26 0.00 0.47 0.23 0.00 0.00 176.35 176.26 1t8c n ASP 72 N 7.79 0.00 -1.83 2.29 9.92 -1.26 -2.57 116.55 130.89 1t8c n ASP 72 Ca 0.32 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.57 1t8c n ASP 72 Cb 0.49 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 41.01 1t8c n ASP 72 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1t8c n LEU 73 N 0.00 -0.48 0.14 0.64 -0.00 -1.26 -4.63 117.00 111.40 1t8c n LEU 73 Ca 0.00 -1.68 0.12 0.00 -0.00 0.00 0.00 56.01 54.44 1t8c n LEU 73 Cb 0.00 0.66 0.14 0.00 -0.00 0.00 0.00 43.42 44.22 1t8c n LEU 73 CO 0.00 1.22 0.47 0.11 -0.00 0.00 0.00 177.39 179.19 1t8c h LYS 74 N 0.32 0.00 0.00 1.47 1.79 -1.77 -3.47 116.57 114.91 1t8c h LYS 74 Ca -0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1t8c h LYS 74 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1t8c h LYS 74 CO -0.07 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.71 1t8c n GLY 75 N 1.20 0.85 3.31 3.86 0.00 -1.26 -5.08 105.19 108.07 1t8c n GLY 75 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.77 3.32 0.09 1.61 2.02 -1.26 -5.06 118.70 118.65 1t8c s GLU 76 Ca 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.30 1t8c s GLU 76 Cb 0.00 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 1t8c s GLU 76 CO 0.00 0.01 0.24 -0.06 0.02 0.00 0.00 175.26 175.48 1t8c s PHE 77 N 0.87 3.51 0.01 1.61 0.40 -1.26 -2.03 117.98 121.09 1t8c s PHE 77 Ca -0.03 0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.55 1t8c s PHE 77 Cb -0.15 -1.76 -0.01 0.00 0.51 0.00 0.00 43.02 41.62 1t8c s PHE 77 CO -0.00 0.55 -0.02 0.42 0.70 0.00 0.00 175.22 176.87 1t8c s ILE 78 N -1.59 0.15 0.40 0.64 1.01 0.67 -3.33 121.20 119.15 1t8c s ILE 78 Ca 0.35 -0.32 -0.25 0.00 0.00 0.00 0.00 60.65 60.44 1t8c s ILE 78 Cb -0.12 -0.18 -0.09 0.00 0.01 0.00 0.00 42.46 42.08 1t8c s ILE 78 CO 0.28 -0.11 1.11 0.26 0.00 0.00 0.00 174.94 176.48 1t8c s TRP 79 N -0.43 3.17 0.63 3.97 0.52 0.23 0.04 118.94 127.08 1t8c s TRP 79 Ca -0.04 1.60 0.36 0.00 0.02 0.00 0.00 56.10 58.05 1t8c s TRP 79 Cb -0.03 -3.27 2.05 0.00 -1.15 0.00 0.00 33.47 31.07 1t8c s TRP 79 CO -0.00 -0.98 2.26 -0.24 0.02 0.00 0.00 176.95 178.01 1t8c h VAL 80 N 2.28 0.26 0.00 4.03 3.04 -1.61 0.28 116.25 124.52 1t8c h VAL 80 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1t8c h VAL 80 Cb 1.23 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1t8c h VAL 80 CO 0.62 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.51 1t8c n ASP 81 N -3.44 0.00 -0.49 3.17 2.03 -1.26 -4.86 116.55 111.70 1t8c n ASP 81 Ca -0.02 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.50 1t8c n ASP 81 Cb 0.14 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 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 0.68 0.89 2.96 0.27 0.00 0.96 -5.08 105.19 105.87 1t8c n GLY 82 Ca 0.20 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.81 0.43 0.81 1.61 0.01 -1.16 -4.95 113.70 107.63 1t8c s SER 83 Ca 0.00 0.51 -0.16 0.00 1.31 0.00 0.00 55.95 57.61 1t8c s SER 83 Cb 0.00 0.55 -0.06 0.00 0.21 0.00 0.00 66.02 66.72 1t8c s SER 83 CO 0.00 -0.24 0.12 0.00 0.41 0.00 0.00 173.24 173.53 1t8c n HIS 84 N 5.26 -2.22 -1.34 2.43 1.44 -1.26 -0.60 115.22 118.93 1t8c n HIS 84 Ca -0.07 0.25 -0.34 0.00 -2.01 0.00 0.00 57.72 55.54 1t8c n HIS 84 Cb 0.50 -1.75 0.10 0.00 0.12 0.00 0.00 29.99 28.97 1t8c n HIS 84 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1t8c s VAL 85 N -2.06 2.14 0.00 0.61 1.01 -1.21 -4.63 120.40 116.26 1t8c s VAL 85 Ca 0.57 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1t8c s VAL 85 Cb -0.30 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1t8c s VAL 85 CO 0.67 -0.04 0.00 0.47 0.00 0.00 0.00 175.10 176.20 1t8c n ASP 86 N -2.86 0.00 0.01 3.32 8.00 -1.26 -4.95 116.55 118.82 1t8c n ASP 86 Ca 0.14 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.46 1t8c n ASP 86 Cb 0.50 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.49 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 0.63 -2.25 1.24 -1.99 -1.94 -3.50 116.97 109.16 1t8c h TYR 87 Ca 0.00 -0.35 0.25 0.00 2.00 0.00 0.00 58.73 60.63 1t8c h TYR 87 Cb 0.00 -0.07 -0.08 0.00 2.00 0.00 0.00 36.73 38.59 1t8c h TYR 87 CO 0.00 1.17 -0.43 -1.13 -0.00 0.00 0.00 178.16 177.78 1t8c n SER 88 N -4.19 -5.58 0.00 3.88 3.41 -1.26 -4.92 113.62 104.95 1t8c n SER 88 Ca -0.11 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1t8c n SER 88 Cb 0.70 -3.22 0.00 0.00 -0.26 0.00 0.00 64.21 61.43 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 -4.32 0.00 -3.17 4.04 3.02 -1.26 -5.05 115.26 108.52 1t8c n ASN 89 Ca -0.01 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 1t8c n ASN 89 Cb 0.61 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.15 -1.33 3.10 8.01 -1.24 -3.88 117.44 122.26 1t8c n TRP 90 Ca 0.00 0.10 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 1t8c n TRP 90 Cb 0.00 -0.87 0.00 0.00 -2.01 0.00 0.00 31.31 28.43 1t8c n TRP 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1t8c n ALA 91 N 5.25 -1.77 0.25 6.99 0.00 0.68 -4.66 120.51 127.24 1t8c n ALA 91 Ca 0.47 0.40 0.12 0.00 0.00 0.00 0.00 53.44 54.43 1t8c n ALA 91 Cb 0.07 -1.29 0.60 0.00 0.00 0.00 0.00 19.45 18.82 1t8c n ALA 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1t8c h PRO 92 N 0.65 0.00 0.00 0.00 0.13 -1.87 -3.43 132.00 127.48 1t8c h PRO 92 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1t8c h PRO 92 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1t8c h PRO 92 CO 0.00 0.16 0.00 0.41 -0.23 0.00 0.00 178.00 178.34 1t8c n GLY 93 N -0.15 -0.00 3.00 1.56 0.00 -1.26 -5.10 105.19 103.22 1t8c n GLY 93 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1t8c n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t8c s GLU 94 N 0.00 2.35 -0.14 1.61 0.41 -1.26 -5.08 118.70 116.59 1t8c s GLU 94 Ca 0.00 -2.79 -0.29 0.00 -0.41 0.00 0.00 54.97 51.48 1t8c s GLU 94 Cb 0.00 -3.51 -0.03 0.00 -1.78 0.00 0.00 34.13 28.80 1t8c s GLU 94 CO 0.00 -1.17 1.50 -1.25 -0.49 0.00 0.00 175.26 173.85 1t8c s PRO 95 N -0.53 4.10 0.37 0.39 0.04 -1.26 -4.95 135.00 133.16 1t8c s PRO 95 Ca 0.19 1.85 -0.27 0.00 0.04 0.00 0.00 61.00 62.81 1t8c s PRO 95 Cb -0.19 -3.92 -0.09 0.00 0.04 0.00 0.00 34.50 30.34 1t8c s PRO 95 CO -0.05 -0.91 1.27 0.95 0.04 0.00 0.00 177.00 178.30 1t8c s THR 96 N 4.14 2.78 0.11 1.26 -4.23 -1.26 -4.94 115.64 113.48 1t8c s THR 96 Ca 0.66 0.72 -0.17 0.00 -1.18 0.00 0.00 61.69 61.72 1t8c s THR 96 Cb -0.27 -3.44 -0.05 0.00 1.34 0.00 0.00 72.50 70.08 1t8c s THR 96 CO 0.24 0.13 1.57 -1.28 -0.54 0.00 0.00 174.62 174.74 1t8c h SER 97 N 2.98 0.51 -3.14 3.99 0.87 -2.07 -3.42 113.55 113.28 1t8c h SER 97 Ca -0.49 -0.27 -0.61 0.00 -1.23 0.00 0.00 61.79 59.19 1t8c h SER 97 Cb 1.24 -0.14 -0.09 0.00 -0.44 0.00 0.00 62.40 62.97 1t8c h SER 97 CO 0.64 0.65 -0.37 -0.13 -0.53 0.00 0.00 176.83 177.09 1t8c s ARG 98 N -5.14 4.06 -0.14 2.24 0.52 -1.26 -5.08 118.95 114.14 1t8c s ARG 98 Ca -0.13 0.04 -0.03 0.00 -0.52 0.00 0.00 55.73 55.08 1t8c s ARG 98 Cb 0.09 -3.36 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 1t8c s ARG 98 CO 0.76 0.40 -0.04 -1.12 0.02 0.00 0.00 175.30 175.32 1t8c s SER 99 N -0.01 4.78 0.00 0.23 0.01 -1.26 -4.98 113.70 112.46 1t8c s SER 99 Ca 0.16 -0.11 0.23 0.00 1.31 0.00 0.00 55.95 57.53 1t8c s SER 99 Cb -0.13 -1.71 0.99 0.00 0.21 0.00 0.00 66.02 65.39 1t8c s SER 99 CO 0.04 0.20 1.68 0.00 0.41 0.00 0.00 173.24 175.57 1t8c n GLN 100 N 3.34 1.48 0.00 12.44 6.02 -1.26 -5.01 117.38 134.39 1t8c n GLN 100 Ca -0.17 -0.72 0.00 0.00 -0.01 0.00 0.00 57.00 56.10 1t8c n GLN 100 Cb 0.53 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.39 1t8c n GLN 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1t8c n GLY 101 N 1.05 0.68 3.59 1.08 0.00 -1.26 -4.41 105.19 105.92 1t8c n GLY 101 Ca 0.17 -2.14 -0.01 0.00 0.00 0.00 0.00 46.02 44.04 1t8c n GLY 101 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1t8c s GLU 102 N -0.93 0.52 0.00 1.61 1.03 -1.26 -2.28 118.70 117.39 1t8c s GLU 102 Ca 0.00 1.25 0.00 0.00 0.03 0.00 0.00 54.97 56.25 1t8c s GLU 102 Cb 0.00 0.68 0.00 0.00 -0.80 0.00 0.00 34.13 34.01 1t8c s GLU 102 CO 0.00 -0.17 0.00 -3.47 -1.33 0.00 0.00 175.26 170.29 1t8c n ASP 103 N 5.17 0.00 -3.67 0.83 2.03 -0.96 -4.09 116.55 115.86 1t8c n ASP 103 Ca -0.12 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.04 1t8c n ASP 103 Cb 0.51 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.96 5.19 0.22 0.00 1.01 -1.25 -2.60 120.40 122.00 1t8c s VAL 105 Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1t8c s VAL 105 Cb -0.03 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1t8c s VAL 105 CO 0.05 0.49 0.09 0.00 0.00 0.00 0.00 175.10 175.73 1t8c s MET 106 N -1.39 1.25 0.06 2.72 0.23 -1.06 -4.27 119.30 116.84 1t8c s MET 106 Ca 0.20 -1.66 0.09 0.00 -1.03 0.00 0.00 55.69 53.29 1t8c s MET 106 Cb -0.12 -0.05 -0.03 0.00 -1.53 0.00 0.00 34.83 33.10 1t8c s MET 106 CO 0.10 -0.30 -0.24 0.00 -2.03 0.00 0.00 175.02 172.55 1t8c s MET 107 N -4.06 1.57 0.00 3.16 0.23 -1.26 0.74 119.30 119.68 1t8c s MET 107 Ca 0.35 -1.08 0.00 0.00 -1.03 0.00 0.00 55.69 53.92 1t8c s MET 107 Cb 0.07 -1.77 0.00 0.00 -1.53 0.00 0.00 34.83 31.60 1t8c s MET 107 CO 0.11 0.45 0.00 -2.13 -2.03 0.00 0.00 175.02 171.41 1t8c n ARG 108 N 1.66 0.00 -2.25 3.16 0.00 -1.08 -4.34 116.66 113.80 1t8c n ARG 108 Ca -0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.42 1t8c n ARG 108 Cb 0.53 0.00 0.12 0.00 0.00 0.00 0.00 32.46 33.10 1t8c n ARG 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1t8c s GLY 109 N -0.04 1.74 -0.16 5.14 0.00 -1.26 -4.09 107.32 108.65 1t8c s GLY 109 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1t8c s GLY 109 CO 0.00 -0.71 0.00 1.44 0.00 0.00 0.00 173.10 173.83 1t8c n SER 110 N -3.14 -5.93 -3.84 1.64 7.64 -1.26 -2.60 113.62 106.13 1t8c n SER 110 Ca 0.12 0.04 -0.28 0.00 1.01 0.00 0.00 58.87 59.76 1t8c n SER 110 Cb 0.60 -3.58 0.03 0.00 -1.01 0.00 0.00 64.21 60.25 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 0.90 -0.46 0.00 0.23 0.00 -1.26 -4.93 105.19 99.67 1t8c n GLY 111 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.63 0.00 -4.00 1.61 -4.01 -1.07 -4.69 116.66 99.87 1t8c n ARG 112 Ca -0.03 0.00 -0.22 0.00 -1.04 0.00 0.00 57.85 56.56 1t8c n ARG 112 Cb 0.56 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.93 1t8c n ARG 112 CO 0.00 0.00 0.00 -1.58 -3.04 0.00 0.00 177.63 173.01 1t8c s TRP 113 N -1.14 2.88 -0.05 2.89 0.51 -1.25 -2.64 118.94 120.14 1t8c s TRP 113 Ca 0.00 -0.27 -0.02 0.00 -2.12 0.00 0.00 56.10 53.69 1t8c s TRP 113 Cb 0.00 -1.61 0.03 0.00 -0.81 0.00 0.00 33.47 31.08 1t8c s TRP 113 CO 0.00 0.34 0.04 -0.80 -0.51 0.00 0.00 176.95 176.02 1t8c s ASN 114 N -3.89 1.32 -0.16 2.95 0.01 0.23 -0.23 114.94 115.16 1t8c s ASN 114 Ca 0.37 0.01 -0.29 0.00 -0.71 0.00 0.00 52.86 52.24 1t8c s ASN 114 Cb -0.05 -0.25 -0.01 0.00 0.41 0.00 0.00 41.25 41.34 1t8c s ASN 114 CO 0.25 -0.23 1.22 -0.62 -1.51 0.00 0.00 177.10 176.20 1t8c s ASP 115 N 2.10 6.99 0.16 -1.22 -1.08 -1.26 -2.55 116.67 119.80 1t8c s ASP 115 Ca 0.05 1.66 -0.17 0.00 -0.52 0.00 0.00 52.55 53.58 1t8c s ASP 115 Cb -0.12 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.83 1t8c s ASP 115 CO -0.04 -0.72 0.45 0.00 0.52 0.00 0.00 175.17 175.39 1t8c s ALA 116 N 3.24 -0.92 0.00 3.66 0.00 -1.07 -4.91 121.76 121.75 1t8c s ALA 116 Ca 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1t8c s ALA 116 Cb -0.21 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1t8c s ALA 116 CO 0.15 -0.71 0.00 0.34 0.00 0.00 0.00 175.76 175.53 1t8c n PHE 117 N -0.28 0.00 0.00 0.00 7.35 -0.97 -1.48 117.46 122.08 1t8c n PHE 117 Ca -0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.56 1t8c n PHE 117 Cb 0.63 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.46 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 0.00 1.14 -2.73 0.00 9.92 -1.26 -4.91 116.55 118.71 1t8c n ASP 119 Ca 0.00 -1.88 -0.04 0.00 -0.53 0.00 0.00 54.79 52.35 1t8c n ASP 119 Cb 0.00 -0.47 -0.03 0.00 -0.64 0.00 0.00 41.12 39.98 1t8c n ASP 119 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1t8c n ARG 120 N 0.08 -3.68 0.00 -1.24 0.00 -1.26 -4.99 116.66 105.57 1t8c n ARG 120 Ca 0.00 2.87 0.00 0.00 -0.00 0.00 0.00 57.85 60.72 1t8c n ARG 120 Cb 0.26 -4.24 0.00 0.00 0.00 0.00 0.00 32.46 28.48 1t8c n ARG 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1t8c n LYS 121 N 1.66 3.15 -1.49 -0.14 4.76 -1.26 -5.09 118.16 119.75 1t8c n LYS 121 Ca -0.26 -0.02 -0.06 0.00 -2.87 0.00 0.00 58.31 55.10 1t8c n LYS 121 Cb 0.43 -0.28 0.02 0.00 -1.84 0.00 0.00 35.03 33.37 1t8c n LYS 121 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1t8c n LEU 122 N -0.45 0.00 0.00 -0.35 4.32 -1.26 -4.64 117.00 114.61 1t8c n LEU 122 Ca 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 56.01 55.27 1t8c n LEU 122 Cb 0.01 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 1t8c n LEU 122 CO 0.00 -0.59 0.00 0.61 -1.22 0.00 0.00 177.39 176.19 1t8c n GLY 123 N 2.81 0.96 3.02 -0.72 0.00 -1.20 -4.78 105.19 105.28 1t8c n GLY 123 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 0.93 -0.26 4.61 0.00 -0.02 -0.27 121.76 126.76 1t8c s ALA 124 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 1t8c s ALA 124 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1t8c s ALA 124 CO 0.00 0.16 0.08 1.67 0.00 0.00 0.00 175.76 177.66 1t8c s TRP 125 N 0.17 3.10 -0.10 0.00 1.48 -0.08 -2.58 118.94 120.93 1t8c s TRP 125 Ca -0.03 -0.55 0.00 0.00 -1.06 0.00 0.00 56.10 54.46 1t8c s TRP 125 Cb -0.09 -2.25 -0.02 0.00 -1.16 0.00 0.00 33.47 29.95 1t8c s TRP 125 CO 0.01 -0.41 -0.10 0.08 -4.06 0.00 0.00 176.95 172.46 1t8c s VAL 126 N 1.59 3.35 0.19 -0.66 1.01 -1.25 -0.25 120.40 124.38 1t8c s VAL 126 Ca 0.06 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1t8c s VAL 126 Cb -0.16 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1t8c s VAL 126 CO 0.03 0.55 0.02 0.00 0.00 0.00 0.00 175.10 175.71 1t8c s ASP 128 N -3.20 2.25 -0.04 0.00 -4.77 0.15 0.90 116.67 111.97 1t8c s ASP 128 Ca 0.27 -0.47 -0.26 0.00 -3.30 0.00 0.00 52.55 48.79 1t8c s ASP 128 Cb 0.06 -0.20 0.06 0.00 -1.09 0.00 0.00 42.92 41.76 1t8c s ASP 128 CO 0.06 0.15 0.58 -0.60 0.70 0.00 0.00 175.17 176.06 1t8c s ARG 129 N -0.99 0.95 0.40 2.11 6.06 0.02 0.71 118.95 128.21 1t8c s ARG 129 Ca 0.06 0.13 -0.26 0.00 -2.50 0.00 0.00 55.73 53.16 1t8c s ARG 129 Cb -0.08 0.44 -0.09 0.00 0.06 0.00 0.00 34.95 35.29 1t8c s ARG 129 CO 0.01 -0.29 1.25 -0.51 -2.50 0.00 0.00 175.30 173.26 1t8c s LEU 130 N -1.24 4.22 0.87 -0.88 2.01 -1.26 -0.12 118.68 122.28 1t8c s LEU 130 Ca -0.12 2.53 -0.16 0.00 0.01 0.00 0.00 54.13 56.40 1t8c s LEU 130 Cb -0.01 -3.93 -0.07 0.00 0.01 0.00 0.00 46.19 42.19 1t8c s LEU 130 CO 0.08 -0.77 -0.06 0.00 1.01 0.00 0.00 176.35 176.62 1t8c n ALA 131 N 0.15 -3.46 -3.11 4.21 0.00 -1.10 -4.73 120.51 112.46 1t8c n ALA 131 Ca 0.04 -0.50 -0.45 0.00 0.00 0.00 0.00 53.44 52.52 1t8c n ALA 131 Cb 0.45 -1.53 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.11 5.08 0.17 0.00 2.01 -1.26 -4.99 115.64 114.54 1t8c s THR 132 Ca 0.53 -1.83 0.02 0.00 0.31 0.00 0.00 61.69 60.72 1t8c s THR 132 Cb -0.26 -4.61 -0.01 0.00 0.01 0.00 0.00 72.50 67.63 1t8c s THR 132 CO 0.71 -1.26 0.07 0.00 -0.69 0.00 0.00 174.62 173.44 1t8c s THR 134 N -2.24 1.10 -0.28 0.00 2.01 -1.26 -4.94 115.64 110.03 1t8c s THR 134 Ca 0.10 -1.82 -0.33 0.00 0.31 0.00 0.00 61.69 59.94 1t8c s THR 134 Cb 0.00 -1.81 -0.10 0.00 0.01 0.00 0.00 72.50 70.60 1t8c s THR 134 CO 0.07 -0.75 2.14 -2.65 -0.69 0.00 0.00 174.62 172.75 1t8c n PRO 135 N 4.39 1.46 -2.02 4.92 -0.02 -1.26 -4.86 135.00 137.60 1t8c n PRO 135 Ca 0.02 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.58 1t8c n PRO 135 Cb 0.40 -2.68 -0.04 0.00 -0.02 0.00 0.00 33.50 31.16 1t8c n PRO 135 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1t8c s PRO 136 N 5.89 2.57 2.04 0.52 0.04 -1.26 -4.83 135.00 139.97 1t8c s PRO 136 Ca 1.05 0.40 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1t8c s PRO 136 Cb -0.71 -4.58 0.00 0.00 0.04 0.00 0.00 34.50 29.26 1t8c s PRO 136 CO 0.46 -2.95 0.00 0.00 0.04 0.00 0.00 177.00 174.56 1t8c n ALA 137 N 13.28 0.00 -0.24 8.56 0.00 -1.26 -4.86 120.51 135.99 1t8c n ALA 137 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1t8c n ALA 137 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1t8c n ALA 137 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t8c n SER 138 N -3.15 0.00 0.00 0.00 2.88 -1.26 -5.08 113.62 107.00 1t8c n SER 138 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1t8c n SER 138 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1t8c n SER 138 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1t8c n GLU 139 N 0.00 0.00 -1.94 -1.46 1.02 -1.26 -4.69 120.64 112.30 1t8c n GLU 139 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1t8c n GLU 139 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1t8c n GLU 139 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1t8c s GLY 140 N 0.00 1.57 0.49 0.62 0.00 -1.26 -4.96 107.32 103.77 1t8c s GLY 140 Ca 0.00 1.17 -0.23 0.00 0.00 0.00 0.00 44.72 45.66 1t8c s GLY 140 CO 0.00 2.90 1.24 -0.56 0.00 0.00 0.00 173.10 176.67 1t8c s SER 141 N 2.51 5.87 0.87 1.64 0.01 -1.26 -4.80 113.70 118.55 1t8c s SER 141 Ca 0.74 2.47 0.00 0.00 1.31 0.00 0.00 55.95 60.47 1t8c s SER 141 Cb -0.39 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.23 1t8c s SER 141 CO 0.32 -1.13 0.00 0.00 0.41 0.00 0.00 173.24 172.84 1t8c n ALA 142 N -0.64 0.00 -1.88 1.44 0.00 -1.26 -5.23 120.51 112.94 1t8c n ALA 142 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1t8c n ALA 142 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1t8c n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59