#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 0.41 3.79 0.23 0.00 -1.26 -5.14 105.19 103.22 1t8c n GLY 2 Ca 0.00 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 0.18 3.41 0.23 1.61 0.40 -1.26 -5.06 117.98 117.49 1t8c s PHE 3 Ca 0.19 1.68 -0.04 0.00 -0.60 0.00 0.00 56.93 58.16 1t8c s PHE 3 Cb 0.30 -2.96 0.06 0.00 0.51 0.00 0.00 43.02 40.92 1t8c s PHE 3 CO -0.08 -0.19 0.24 1.33 0.70 0.00 0.00 175.22 177.22 1t8c n VAL 4 N -0.11 0.00 0.00 -0.44 0.24 -1.26 -5.09 118.33 111.67 1t8c n VAL 4 Ca 0.05 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1t8c n VAL 4 Cb 0.51 -1.29 0.00 0.00 -1.47 0.00 0.00 33.84 31.59 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 0.00 -1.24 -0.52 0.00 0.23 -1.21 -5.00 115.26 107.51 1t8c n ASN 6 Ca 0.00 -1.33 0.11 0.00 -0.53 0.00 0.00 54.58 52.83 1t8c n ASN 6 Cb 0.00 0.65 0.41 0.00 -2.08 0.00 0.00 39.78 38.76 1t8c n ASN 6 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1t8c n THR 7 N 1.93 0.17 -3.82 5.53 5.66 -1.08 -4.55 114.28 118.12 1t8c n THR 7 Ca 0.05 -0.32 -0.31 0.00 -3.05 0.00 0.00 64.05 60.42 1t8c n THR 7 Cb 0.69 0.37 -0.11 0.00 -1.55 0.00 0.00 70.33 69.73 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 5.87 0.00 0.00 0.00 0.13 -1.80 -3.46 132.00 132.74 1t8c h PRO 9 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1t8c h PRO 9 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1t8c h PRO 9 CO 0.75 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.61 1t8c n GLU 10 N -3.59 0.00 -0.34 0.86 2.13 -1.26 -4.88 120.64 113.56 1t8c n GLU 10 Ca -0.00 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.97 1t8c n GLU 10 Cb 0.00 0.00 0.36 0.00 0.27 0.00 0.00 31.44 32.07 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 0.66 -6.96 5.31 1.57 -1.94 -3.40 116.57 111.80 1t8c h LYS 11 Ca 0.00 -0.04 -0.50 0.00 -1.87 0.00 0.00 60.65 58.24 1t8c h LYS 11 Cb 0.00 -0.15 0.04 0.00 0.08 0.00 0.00 32.23 32.21 1t8c h LYS 11 CO 0.00 0.44 0.47 -1.58 -0.57 0.00 0.00 179.45 178.20 1t8c s TRP 12 N -5.79 3.08 -0.05 -1.35 0.52 -1.25 -3.86 118.94 110.24 1t8c s TRP 12 Ca -0.11 1.58 -0.00 0.00 0.02 0.00 0.00 56.10 57.59 1t8c s TRP 12 Cb 0.25 -3.30 0.03 0.00 -1.15 0.00 0.00 33.47 29.30 1t8c s TRP 12 CO 0.80 -1.14 -0.01 0.42 0.02 0.00 0.00 176.95 177.04 1t8c s ILE 13 N -1.53 0.32 0.12 2.03 -1.09 -0.53 -4.40 121.20 116.13 1t8c s ILE 13 Ca 0.59 0.06 0.04 0.00 -2.23 0.00 0.00 60.65 59.12 1t8c s ILE 13 Cb -0.27 -0.42 -0.04 0.00 -1.58 0.00 0.00 42.46 40.14 1t8c s ILE 13 CO 0.34 0.20 0.08 0.21 -1.23 0.00 0.00 174.94 174.54 1t8c s ASN 14 N 1.36 5.36 0.00 3.58 3.84 -1.26 0.11 114.94 127.93 1t8c s ASN 14 Ca -0.05 -0.12 0.00 0.00 0.21 0.00 0.00 52.86 52.91 1t8c s ASN 14 Cb -0.13 -1.37 0.00 0.00 -0.55 0.00 0.00 41.25 39.19 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 0.14 0.00 -0.25 0.43 3.72 0.16 -4.95 117.46 116.72 1t8c n PHE 15 Ca -0.09 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.36 1t8c n PHE 15 Cb 0.53 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 39.25 1t8c n PHE 15 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1t8c h GLN 16 N 0.00 0.28 0.00 -1.08 1.08 -2.04 -3.39 115.11 109.96 1t8c h GLN 16 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1t8c h GLN 16 Cb 0.00 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1t8c h GLN 16 CO 0.00 0.18 0.00 2.89 -0.95 0.00 0.00 178.83 180.95 1t8c n ARG 17 N -5.14 0.00 -4.30 1.46 0.00 -1.26 -5.14 116.66 102.28 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 0.45 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 32.83 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 0.31 2.89 -2.85 -1.26 -3.14 119.74 117.91 1t8c s LYS 18 Ca 0.00 -1.38 0.07 0.00 -1.00 0.00 0.00 55.97 53.66 1t8c s LYS 18 Cb 0.00 -2.15 -0.06 0.00 -2.06 0.00 0.00 37.83 33.56 1t8c s LYS 18 CO 0.00 0.39 -0.04 0.00 0.10 0.00 0.00 175.35 175.80 1t8c s TYR 20 N -2.95 1.94 -0.42 0.00 1.51 0.31 -0.64 117.35 117.09 1t8c s TYR 20 Ca 0.32 -0.63 -0.16 0.00 -1.01 0.00 0.00 57.07 55.59 1t8c s TYR 20 Cb 0.05 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.62 1t8c s TYR 20 CO 0.14 -0.23 0.39 -0.47 -1.11 0.00 0.00 175.55 174.27 1t8c s TYR 21 N 0.13 3.20 -0.22 2.71 5.04 0.26 -1.45 117.35 127.03 1t8c s TYR 21 Ca -0.08 -0.49 -0.10 0.00 -2.44 0.00 0.00 57.07 53.96 1t8c s TYR 21 Cb -0.14 -2.82 -0.05 0.00 0.35 0.00 0.00 41.96 39.31 1t8c s TYR 21 CO 0.04 -0.68 0.14 -0.06 -1.34 0.00 0.00 175.55 173.65 1t8c s PHE 22 N 1.95 3.32 0.26 4.97 0.40 -1.25 -0.66 117.98 126.98 1t8c s PHE 22 Ca 0.09 0.21 -0.00 0.00 -0.60 0.00 0.00 56.93 56.63 1t8c s PHE 22 Cb -0.18 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.13 1t8c s PHE 22 CO 0.12 0.12 0.34 0.41 0.70 0.00 0.00 175.22 176.91 1t8c n GLY 23 N 4.01 2.49 3.62 4.36 0.00 0.69 -4.70 105.19 115.65 1t8c n GLY 23 Ca -0.15 -1.60 -0.23 0.00 0.00 0.00 0.00 46.02 44.03 1t8c n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t8c s LYS 24 N -2.67 2.18 0.00 1.61 3.01 -1.26 -0.24 119.74 122.36 1t8c s LYS 24 Ca 0.23 -1.51 0.00 0.00 -1.01 0.00 0.00 55.97 53.69 1t8c s LYS 24 Cb -0.00 -2.08 0.00 0.00 -1.01 0.00 0.00 37.83 34.74 1t8c s LYS 24 CO 0.17 0.33 0.00 0.41 0.51 0.00 0.00 175.35 176.77 1t8c n GLY 25 N -0.86 1.12 2.96 -3.33 0.00 -0.49 -4.29 105.19 100.31 1t8c n GLY 25 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1t8c n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t8c s THR 26 N -2.29 -0.70 0.00 2.61 -4.23 -1.26 -4.12 115.64 105.65 1t8c s THR 26 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1t8c s THR 26 Cb 0.00 0.00 0.00 0.00 1.34 0.00 0.00 72.50 73.84 1t8c s THR 26 CO 0.00 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.37 1t8c n LYS 27 N 3.81 0.00 -3.59 3.99 4.76 -1.26 -5.09 118.16 120.78 1t8c n LYS 27 Ca 0.11 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.33 1t8c n LYS 27 Cb 0.59 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.76 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 0.00 1.02 -0.04 1.97 3.00 -1.26 -4.41 117.38 117.66 1t8c n GLN 28 Ca 0.00 -2.58 -0.12 0.00 -0.01 0.00 0.00 57.00 54.29 1t8c n GLN 28 Cb 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 30.24 30.69 1t8c n GLN 28 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.06 179.41 1t8c h TRP 29 N 0.93 0.24 -0.54 1.08 7.01 -1.89 -2.75 115.95 120.04 1t8c h TRP 29 Ca -0.28 -0.03 0.14 0.00 2.11 0.00 0.00 58.89 60.82 1t8c h TRP 29 Cb 0.92 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.89 1t8c h TRP 29 CO 0.00 0.41 0.38 -0.39 -2.79 0.00 0.00 178.44 176.05 1t8c h VAL 30 N 0.01 0.78 -0.04 2.65 -1.51 -1.98 0.16 116.25 116.32 1t8c h VAL 30 Ca 0.04 -0.04 -0.14 0.00 -1.23 0.00 0.00 66.70 65.33 1t8c h VAL 30 Cb 0.30 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.10 1t8c h VAL 30 CO 0.00 0.02 -0.62 -0.74 -1.23 0.00 0.00 177.57 175.00 1t8c h HIS 31 N 0.11 0.18 -0.04 5.19 2.76 -1.90 -2.23 115.15 119.23 1t8c h HIS 31 Ca 0.26 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 1t8c h HIS 31 Cb 0.86 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.79 1t8c h HIS 31 CO -0.00 0.72 -0.07 0.00 -1.30 0.00 0.00 177.93 177.28 1t8c h ALA 32 N 1.26 0.07 -0.95 5.26 0.00 -0.51 -0.21 119.26 124.17 1t8c h ALA 32 Ca -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1t8c h ALA 32 Cb 1.12 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1t8c h ALA 32 CO 0.09 -0.10 0.59 0.07 0.00 0.00 0.00 179.25 179.89 1t8c h ARG 33 N -0.38 1.28 -0.04 0.00 0.11 -1.41 -1.23 114.38 112.71 1t8c h ARG 33 Ca 0.00 -0.11 -0.14 0.00 0.10 0.00 0.00 59.98 59.83 1t8c h ARG 33 Cb 0.62 -0.27 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 1t8c h ARG 33 CO 0.02 0.88 -0.63 -0.92 0.10 0.00 0.00 179.97 179.42 1t8c h TYR 34 N 1.31 0.21 -0.37 4.08 5.03 -1.40 -1.25 116.97 124.59 1t8c h TYR 34 Ca 0.34 -0.09 -0.13 0.00 2.58 0.00 0.00 58.73 61.44 1t8c h TYR 34 Cb -0.08 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 1t8c h TYR 34 CO 0.00 0.75 -0.26 0.00 -1.32 0.00 0.00 178.16 177.33 1t8c h ALA 35 N 1.23 0.52 0.00 1.82 0.00 -0.36 -1.94 119.26 120.54 1t8c h ALA 35 Ca -0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1t8c h ALA 35 Cb 1.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1t8c h ALA 35 CO 0.09 0.53 -0.54 0.00 0.00 0.00 0.00 179.25 179.33 1t8c h ASP 37 N 0.00 0.00 -0.97 0.00 5.19 -1.08 -1.01 116.42 118.54 1t8c h ASP 37 Ca -0.01 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 1t8c h ASP 37 Cb 1.28 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.73 1t8c h ASP 37 CO 0.07 0.13 0.64 0.44 -3.12 0.00 0.00 179.24 177.40 1t8c h ASP 38 N 0.00 1.04 0.00 6.45 3.32 -1.25 -3.44 116.42 122.54 1t8c h ASP 38 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1t8c h ASP 38 Cb 0.85 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1t8c h ASP 38 CO 0.02 0.70 0.00 1.15 -1.72 0.00 0.00 179.24 179.39 1t8c n MET 39 N -4.46 0.00 0.00 3.56 0.00 -1.21 -5.08 117.12 109.93 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 0.12 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.34 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 -0.03 0.00 0.00 3.17 1.02 -1.02 -5.00 120.64 118.78 1t8c n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1t8c n GLU 40 Cb 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 1t8c n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t8c n GLY 41 N 0.00 0.42 3.41 0.62 0.00 -0.42 -4.86 105.19 104.37 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 0.65 1.22 -0.33 1.61 0.74 0.30 -4.55 119.66 119.31 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 -0.50 1.43 -1.17 -0.55 0.00 0.00 175.29 174.50 1t8c s LEU 43 N -2.84 3.75 0.00 3.68 2.96 -1.26 0.42 118.68 125.39 1t8c s LEU 43 Ca 0.06 1.15 0.00 0.00 -0.22 0.00 0.00 54.13 55.12 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 -0.07 -1.28 0.08 1.33 -1.32 0.00 0.00 176.35 175.09 1t8c n VAL 44 N 6.63 0.00 -3.10 1.68 0.24 -1.26 -3.42 118.33 119.11 1t8c n VAL 44 Ca 0.17 0.12 -0.13 0.00 -2.04 0.00 0.00 64.34 62.45 1t8c n VAL 44 Cb 0.47 -0.16 0.07 0.00 -1.47 0.00 0.00 33.84 32.75 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 -1.96 -2.46 -4.44 -1.34 2.88 -1.26 -4.55 113.62 100.47 1t8c n SER 45 Ca 0.00 -0.45 -0.47 0.00 -1.33 0.00 0.00 58.87 56.62 1t8c n SER 45 Cb 0.00 -3.94 -0.02 0.00 -0.75 0.00 0.00 64.21 59.50 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 -3.47 1.92 -0.77 2.46 -5.35 -1.26 -4.78 119.36 108.11 1t8c n ILE 46 Ca -0.19 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 1t8c n ILE 46 Cb 0.62 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 1t8c n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t8c n HIS 47 N -0.04 0.00 -4.47 4.28 1.44 -1.26 -4.88 115.22 110.29 1t8c n HIS 47 Ca 0.15 -0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.53 1t8c n HIS 47 Cb 0.28 -0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.23 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 -0.01 3.26 0.56 4.39 0.01 -1.26 -4.77 113.70 115.87 1t8c s SER 48 Ca 0.00 -0.59 0.39 0.00 1.31 0.00 0.00 55.95 57.06 1t8c s SER 48 Cb 0.00 -1.49 1.55 0.00 0.21 0.00 0.00 66.02 66.29 1t8c s SER 48 CO 0.00 0.06 1.72 -0.65 0.41 0.00 0.00 173.24 174.78 1t8c h PRO 49 N 7.52 0.00 -0.06 12.44 0.11 -1.98 0.47 132.00 150.50 1t8c h PRO 49 Ca -0.36 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.66 1t8c h PRO 49 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1t8c h PRO 49 CO 0.58 0.00 -0.29 1.49 -0.21 0.00 0.00 178.00 179.57 1t8c h GLU 50 N 0.00 0.30 -0.49 1.05 4.81 -1.97 -1.29 114.58 116.99 1t8c h GLU 50 Ca 0.62 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.55 1t8c h GLU 50 Cb 2.58 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 31.99 1t8c h GLU 50 CO -0.01 0.89 0.10 0.93 -0.73 0.00 0.00 179.01 180.20 1t8c h GLU 51 N -0.21 0.79 -0.61 1.92 5.08 -0.56 0.49 114.58 121.49 1t8c h GLU 51 Ca -0.02 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1t8c h GLU 51 Cb 0.94 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1t8c h GLU 51 CO 0.06 0.78 0.08 -0.56 -1.00 0.00 0.00 179.01 178.37 1t8c h GLN 52 N 0.68 1.03 -0.22 2.33 -0.00 -1.10 -2.16 115.11 115.66 1t8c h GLN 52 Ca 0.15 -0.29 -0.10 0.00 -0.00 0.00 0.00 58.65 58.41 1t8c h GLN 52 Cb 0.35 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 27.71 1t8c h GLN 52 CO 0.00 0.97 -0.31 0.22 -0.00 0.00 0.00 178.83 179.72 1t8c h ASP 53 N 0.94 0.46 0.15 0.06 3.58 -0.98 0.54 116.42 121.17 1t8c h ASP 53 Ca 0.18 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1t8c h ASP 53 Cb 0.46 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1t8c h ASP 53 CO 0.02 0.75 -0.08 -0.26 -2.88 0.00 0.00 179.24 176.79 1t8c h PHE 54 N 0.39 -0.20 -0.04 0.28 0.04 0.52 0.35 116.94 118.28 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 0.74 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 1t8c h PHE 54 CO 0.02 -0.12 -0.78 1.37 -0.60 0.00 0.00 178.31 178.20 1t8c h LEU 55 N -0.21 0.40 -0.76 1.54 8.10 -1.37 -0.54 115.31 122.46 1t8c h LEU 55 Ca -0.02 -0.28 0.00 0.00 0.11 0.00 0.00 57.88 57.69 1t8c h LEU 55 Cb 0.17 -0.12 -0.04 0.00 -0.44 0.00 0.00 40.66 40.23 1t8c h LEU 55 CO 0.03 1.03 0.48 0.74 -4.11 0.00 0.00 178.44 176.61 1t8c h THR 56 N 0.21 1.21 -0.06 0.15 2.02 -0.64 0.58 112.91 116.38 1t8c h THR 56 Ca -0.04 -0.42 -0.19 0.00 0.77 0.00 0.00 66.41 66.54 1t8c h THR 56 Cb 1.36 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1t8c h THR 56 CO 0.13 0.21 -0.76 0.50 0.37 0.00 0.00 175.52 175.96 1t8c h LYS 57 N 1.03 0.37 -0.21 6.66 3.64 -0.24 -2.94 116.57 124.88 1t8c h LYS 57 Ca 0.27 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1t8c h LYS 57 Cb -0.08 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1t8c h LYS 57 CO -0.06 0.97 -0.10 1.25 -2.27 0.00 0.00 179.45 179.24 1t8c h HIS 58 N 0.25 0.35 -2.13 1.91 2.76 -0.05 -3.39 115.15 114.84 1t8c h HIS 58 Ca -0.04 -0.04 -0.51 0.00 -2.20 0.00 0.00 60.37 57.58 1t8c h HIS 58 Cb 1.34 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 30.15 1t8c h HIS 58 CO 0.04 0.44 1.25 0.00 -1.30 0.00 0.00 177.93 178.36 1t8c s ALA 59 N -4.78 2.38 0.00 5.26 0.00 0.19 -4.90 121.76 119.92 1t8c s ALA 59 Ca -0.06 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1t8c s ALA 59 Cb 0.15 -4.28 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1t8c s ALA 59 CO 0.75 -3.66 0.91 0.45 0.00 0.00 0.00 175.76 174.20 1t8c n SER 60 N 11.53 0.00 -0.18 0.00 2.88 -1.26 -4.48 113.62 122.11 1t8c n SER 60 Ca 0.14 0.91 0.03 0.00 -1.33 0.00 0.00 58.87 58.62 1t8c n SER 60 Cb 0.51 -0.41 0.04 0.00 -0.75 0.00 0.00 64.21 63.60 1t8c n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t8c n HIS 61 N -1.74 0.00 -3.65 0.66 1.44 -1.26 -5.00 115.22 105.67 1t8c n HIS 61 Ca 0.00 -0.39 -0.23 0.00 -2.01 0.00 0.00 57.72 55.09 1t8c n HIS 61 Cb 0.00 -0.07 -0.17 0.00 0.12 0.00 0.00 29.99 29.87 1t8c n HIS 61 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1t8c s THR 62 N -1.04 -0.05 1.27 0.61 -4.23 -1.26 -4.93 115.64 106.01 1t8c s THR 62 Ca 0.09 0.10 -0.18 0.00 -1.18 0.00 0.00 61.69 60.52 1t8c s THR 62 Cb 0.08 -0.40 0.28 0.00 1.34 0.00 0.00 72.50 73.81 1t8c s THR 62 CO 0.01 -0.04 0.69 0.61 -0.54 0.00 0.00 174.62 175.34 1t8c n GLY 63 N 5.27 -2.95 3.55 3.99 0.00 -1.25 -4.37 105.19 109.43 1t8c n GLY 63 Ca -0.05 -1.27 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.50 3.90 -0.16 1.61 0.15 -1.22 -1.81 113.70 113.68 1t8c s SER 64 Ca 0.61 -1.00 -0.06 0.00 0.70 0.00 0.00 55.95 56.20 1t8c s SER 64 Cb -0.15 -0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 1t8c s SER 64 CO 0.57 -0.08 0.04 0.26 1.20 0.00 0.00 173.24 175.23 1t8c s TRP 65 N -2.50 3.22 0.36 3.44 0.51 -1.18 -2.96 118.94 119.82 1t8c s TRP 65 Ca 0.32 0.06 0.08 0.00 -2.12 0.00 0.00 56.10 54.44 1t8c s TRP 65 Cb -0.02 -2.00 -0.04 0.00 -0.81 0.00 0.00 33.47 30.59 1t8c s TRP 65 CO 0.17 0.21 0.21 0.96 -0.51 0.00 0.00 176.95 177.99 1t8c s ILE 66 N 0.08 2.96 -1.03 2.03 -4.36 -1.26 -4.22 121.20 115.40 1t8c s ILE 66 Ca 0.04 -1.59 -0.08 0.00 -0.26 0.00 0.00 60.65 58.76 1t8c s ILE 66 Cb -0.12 -3.02 -0.14 0.00 1.25 0.00 0.00 42.46 40.43 1t8c s ILE 66 CO 0.01 -0.13 3.04 0.61 0.24 0.00 0.00 174.94 178.71 1t8c n GLY 67 N -1.26 3.69 3.11 6.27 0.00 -1.22 -4.62 105.19 111.17 1t8c n GLY 67 Ca -0.02 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 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 0.11 1.88 -0.04 0.99 1.98 -1.26 -1.67 118.68 120.67 1t8c s LEU 68 Ca 0.65 -0.49 -0.02 0.00 -2.89 0.00 0.00 54.13 51.38 1t8c s LEU 68 Cb 0.21 -1.21 0.03 0.00 0.66 0.00 0.00 46.19 45.88 1t8c s LEU 68 CO -0.04 0.06 0.06 -0.60 -1.89 0.00 0.00 176.35 173.93 1t8c s ARG 69 N 0.81 -0.07 0.30 1.98 3.52 0.13 -3.59 118.95 122.03 1t8c s ARG 69 Ca -0.09 0.35 -0.14 0.00 -0.13 0.00 0.00 55.73 55.72 1t8c s ARG 69 Cb -0.16 -0.48 -0.09 0.00 -1.56 0.00 0.00 34.95 32.67 1t8c s ARG 69 CO 0.00 -0.31 0.69 1.21 -0.81 0.00 0.00 175.30 176.09 1t8c s ASN 70 N 2.02 6.74 0.00 -2.12 3.84 -0.22 -0.67 114.94 124.52 1t8c s ASN 70 Ca 0.03 1.20 0.00 0.00 0.21 0.00 0.00 52.86 54.30 1t8c s ASN 70 Cb -0.12 -2.34 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 1t8c s ASN 70 CO -0.03 -0.17 0.54 0.18 -2.79 0.00 0.00 177.10 174.83 1t8c n LEU 71 N -0.30 0.00 0.00 3.21 4.32 -1.06 -4.77 117.00 118.39 1t8c n LEU 71 Ca 0.03 0.54 0.00 0.00 -0.02 0.00 0.00 56.01 56.56 1t8c n LEU 71 Cb 0.53 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1t8c n LEU 71 CO 0.42 -0.04 0.00 0.47 -1.22 0.00 0.00 177.39 177.02 1t8c n ASP 72 N -0.79 0.00 0.00 -1.43 8.00 -1.26 -5.04 116.55 116.02 1t8c n ASP 72 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1t8c n ASP 72 Cb 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.85 0.00 -0.13 0.64 4.32 -1.26 -4.62 117.00 114.10 1t8c n LEU 73 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.04 1t8c n LEU 73 Cb 0.00 0.10 0.23 0.00 -1.62 0.00 0.00 43.42 42.13 1t8c n LEU 73 CO 0.00 -0.15 0.65 2.29 -1.22 0.00 0.00 177.39 178.96 1t8c n LYS 74 N -1.45 1.16 0.00 3.23 2.85 -1.26 -4.70 118.16 117.99 1t8c n LYS 74 Ca 0.00 -0.25 0.00 0.00 -1.05 0.00 0.00 58.31 57.01 1t8c n LYS 74 Cb 0.00 -1.16 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 1t8c n LYS 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1t8c n GLY 75 N 0.72 -0.52 3.24 2.58 0.00 -1.26 -5.05 105.19 104.89 1t8c n GLY 75 Ca 0.07 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 1.49 -0.14 1.61 0.41 -1.26 -5.00 118.70 115.81 1t8c s GLU 76 Ca 0.00 -0.89 -0.28 0.00 -0.41 0.00 0.00 54.97 53.40 1t8c s GLU 76 Cb 0.00 -1.55 -0.01 0.00 -1.78 0.00 0.00 34.13 30.79 1t8c s GLU 76 CO 0.00 0.41 0.94 -0.06 -0.49 0.00 0.00 175.26 176.05 1t8c s PHE 77 N -0.70 3.46 -0.02 1.61 0.08 -1.26 -2.57 117.98 118.58 1t8c s PHE 77 Ca 0.08 1.45 0.06 0.00 0.12 0.00 0.00 56.93 58.64 1t8c s PHE 77 Cb -0.09 -3.12 -0.02 0.00 -0.57 0.00 0.00 43.02 39.22 1t8c s PHE 77 CO 0.01 -0.25 -0.20 0.42 -0.10 0.00 0.00 175.22 175.10 1t8c s ILE 78 N 2.14 2.56 0.51 0.64 -1.09 0.15 -2.74 121.20 123.38 1t8c s ILE 78 Ca 0.44 -1.00 -0.19 0.00 -2.23 0.00 0.00 60.65 57.67 1t8c s ILE 78 Cb -0.17 -1.98 -0.07 0.00 -1.58 0.00 0.00 42.46 38.66 1t8c s ILE 78 CO 0.15 0.52 1.05 0.26 -1.23 0.00 0.00 174.94 175.69 1t8c s TRP 79 N -0.73 2.99 0.59 3.97 0.51 0.14 0.22 118.94 126.63 1t8c s TRP 79 Ca 0.11 1.56 0.29 0.00 -2.12 0.00 0.00 56.10 55.94 1t8c s TRP 79 Cb -0.10 -3.06 1.76 0.00 -0.81 0.00 0.00 33.47 31.26 1t8c s TRP 79 CO 0.01 -0.92 2.22 -0.24 -0.51 0.00 0.00 176.95 177.51 1t8c h VAL 80 N 1.27 0.54 0.00 4.03 3.04 -1.64 0.27 116.25 123.75 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 1.22 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 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 -3.87 0.00 -0.40 3.17 2.03 -1.26 -4.88 116.55 111.33 1t8c n ASP 81 Ca -0.02 -0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.06 1t8c n ASP 81 Cb 0.14 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.89 0.90 2.74 0.27 0.00 0.93 -5.09 105.19 105.82 1t8c n GLY 82 Ca 0.14 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 1t8c n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t8c s SER 83 N -2.66 0.62 0.60 1.61 1.04 -1.22 -4.92 113.70 108.78 1t8c s SER 83 Ca 0.00 0.04 -0.20 0.00 0.48 0.00 0.00 55.95 56.28 1t8c s SER 83 Cb 0.00 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 1t8c s SER 83 CO 0.00 -0.18 1.27 0.00 0.98 0.00 0.00 173.24 175.32 1t8c n HIS 84 N 4.68 1.93 -0.87 5.02 1.44 -1.26 -0.69 115.22 125.47 1t8c n HIS 84 Ca -0.17 0.43 -0.33 0.00 -2.01 0.00 0.00 57.72 55.64 1t8c n HIS 84 Cb 0.50 -2.29 0.13 0.00 0.12 0.00 0.00 29.99 28.46 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 -1.55 0.62 0.00 0.61 0.31 -1.11 -4.82 118.33 112.40 1t8c n VAL 85 Ca 0.14 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1t8c n VAL 85 Cb 0.46 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.55 2.96 -0.00 4.52 9.92 -1.26 -4.95 116.55 125.19 1t8c n ASP 86 Ca 0.10 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.36 1t8c n ASP 86 Cb 0.52 0.19 -0.00 0.00 -0.64 0.00 0.00 41.12 41.19 1t8c n ASP 86 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1t8c n TYR 87 N -1.74 0.00 -1.52 1.24 4.02 -1.26 -5.15 117.16 112.75 1t8c n TYR 87 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.03 1t8c n TYR 87 Cb 0.32 -0.02 -0.08 0.00 -0.02 0.00 0.00 39.34 39.55 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 -2.89 -8.22 0.00 7.72 3.41 -1.26 -4.98 113.62 107.40 1t8c n SER 88 Ca -0.01 1.62 0.00 0.00 -0.26 0.00 0.00 58.87 60.22 1t8c n SER 88 Cb 0.51 -5.16 0.00 0.00 -0.26 0.00 0.00 64.21 59.29 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 -3.99 0.00 -3.28 4.04 3.02 -1.26 -5.08 115.26 108.71 1t8c n ASN 89 Ca -0.08 -0.00 -0.47 0.00 -0.03 0.00 0.00 54.58 54.01 1t8c n ASN 89 Cb 0.66 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.74 1t8c n ASN 89 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1t8c n TRP 90 N -0.00 0.97 -0.67 3.10 4.27 -1.26 -4.03 117.44 119.82 1t8c n TRP 90 Ca 0.00 0.64 -0.29 0.00 -3.89 0.00 0.00 57.50 53.97 1t8c n TRP 90 Cb 0.00 -1.72 -0.05 0.00 -1.36 0.00 0.00 31.31 28.19 1t8c n TRP 90 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1t8c n ALA 91 N 5.07 -0.27 0.16 -1.67 0.00 -0.17 -4.86 120.51 118.77 1t8c n ALA 91 Ca 0.37 0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.90 1t8c n ALA 91 Cb -0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 1t8c n ALA 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1t8c h PRO 92 N 3.06 -0.43 -3.73 0.00 0.11 -1.92 -3.35 132.00 125.73 1t8c h PRO 92 Ca -0.12 0.03 -0.79 0.00 0.11 0.00 0.00 66.00 65.22 1t8c h PRO 92 Cb 0.62 0.10 -0.27 0.00 0.11 0.00 0.00 31.00 31.56 1t8c h PRO 92 CO 0.46 -0.29 0.28 0.20 -0.21 0.00 0.00 178.00 178.44 1t8c s GLY 93 N -1.39 2.92 -0.67 -0.55 0.00 -1.26 -4.94 107.32 101.44 1t8c s GLY 93 Ca -0.07 -3.57 0.05 0.00 0.00 0.00 0.00 44.72 41.13 1t8c s GLY 93 CO 0.22 1.31 0.45 1.85 0.00 0.00 0.00 173.10 176.93 1t8c s GLU 94 N -0.47 2.33 0.42 2.90 2.12 -1.26 -5.10 118.70 119.64 1t8c s GLU 94 Ca 0.24 -3.19 -0.25 0.00 0.36 0.00 0.00 54.97 52.13 1t8c s GLU 94 Cb -0.10 -3.33 -0.10 0.00 0.26 0.00 0.00 34.13 30.86 1t8c s GLU 94 CO -0.08 -1.26 1.24 -2.30 -0.54 0.00 0.00 175.26 172.31 1t8c n PRO 95 N 2.18 1.86 -3.79 4.30 -0.02 -1.26 -2.44 135.00 135.82 1t8c n PRO 95 Ca 0.18 0.66 -0.27 0.00 -2.02 0.00 0.00 63.50 62.05 1t8c n PRO 95 Cb 0.35 -2.34 0.05 0.00 -0.02 0.00 0.00 33.50 31.54 1t8c n PRO 95 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1t8c n THR 96 N -0.22 -2.56 -2.00 3.45 -1.04 -1.26 -4.82 114.28 105.83 1t8c n THR 96 Ca 0.07 -0.04 -0.04 0.00 -2.04 0.00 0.00 64.05 62.00 1t8c n THR 96 Cb 0.39 -3.31 -0.04 0.00 -1.82 0.00 0.00 70.33 65.56 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 -2.91 -0.54 0.00 8.00 7.64 -1.02 -4.92 113.62 119.87 1t8c n SER 97 Ca 0.01 -1.53 0.00 0.00 1.01 0.00 0.00 58.87 58.35 1t8c n SER 97 Cb 0.55 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1t8c n SER 97 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t8c n ARG 98 N 0.00 3.99 -3.54 1.43 0.63 -1.25 -4.88 116.66 113.04 1t8c n ARG 98 Ca -0.15 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.38 1t8c n ARG 98 Cb 0.61 -0.47 -0.05 0.00 0.45 0.00 0.00 32.46 33.00 1t8c n ARG 98 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1t8c s SER 99 N -0.32 6.26 0.00 6.15 0.01 -1.26 -4.49 113.70 120.05 1t8c s SER 99 Ca 0.00 -3.35 0.00 0.00 1.31 0.00 0.00 55.95 53.91 1t8c s SER 99 Cb 0.00 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1t8c s SER 99 CO 0.00 -0.31 0.00 1.67 0.41 0.00 0.00 173.24 175.01 1t8c n GLN 100 N 2.91 0.00 0.00 12.44 7.27 -1.26 -5.08 117.38 133.66 1t8c n GLN 100 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.25 1t8c n GLN 100 Cb 0.39 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.04 1t8c n GLN 100 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1t8c n GLY 101 N -0.68 2.99 3.37 1.69 0.00 -1.26 -4.86 105.19 106.45 1t8c n GLY 101 Ca 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.13 0.50 0.00 1.61 -1.05 -1.26 -0.01 118.70 116.35 1t8c s GLU 102 Ca 0.00 0.87 0.00 0.00 -0.15 0.00 0.00 54.97 55.69 1t8c s GLU 102 Cb 0.00 0.07 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 1t8c s GLU 102 CO 0.00 -0.14 0.00 -3.47 0.95 0.00 0.00 175.26 172.60 1t8c n ASP 103 N 4.00 0.00 -3.87 0.83 2.03 -0.92 -4.09 116.55 114.53 1t8c n ASP 103 Ca -0.21 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 54.98 1t8c n ASP 103 Cb 0.56 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.82 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 -0.01 4.94 0.39 0.00 1.01 -1.24 -2.56 120.40 122.93 1t8c s VAL 105 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 1t8c s VAL 105 Cb -0.00 -3.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.16 1t8c s VAL 105 CO -0.00 0.57 0.01 0.00 0.00 0.00 0.00 175.10 175.68 1t8c s MET 106 N -0.57 1.99 -0.09 2.72 0.23 -0.24 -4.05 119.30 119.29 1t8c s MET 106 Ca 0.11 -1.99 0.03 0.00 -1.03 0.00 0.00 55.69 52.82 1t8c s MET 106 Cb -0.12 -1.74 0.01 0.00 -1.53 0.00 0.00 34.83 31.44 1t8c s MET 106 CO 0.02 0.00 -0.18 1.41 -2.03 0.00 0.00 175.02 174.24 1t8c s MET 107 N -3.72 2.41 0.00 3.16 1.75 -1.16 0.46 119.30 122.21 1t8c s MET 107 Ca 0.35 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 54.14 1t8c s MET 107 Cb 0.06 -1.89 0.00 0.00 2.84 0.00 0.00 34.83 35.85 1t8c s MET 107 CO 0.19 0.10 0.00 -2.13 -0.65 0.00 0.00 175.02 172.52 1t8c n ARG 108 N 3.69 -0.05 0.00 4.11 0.63 -0.07 -3.39 116.66 121.58 1t8c n ARG 108 Ca -0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.72 1t8c n ARG 108 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 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 1.35 1.44 5.14 0.00 -1.26 -2.67 105.19 109.18 1t8c n GLY 109 Ca 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 46.02 46.28 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 11.54 4.85 -2.43 1.61 7.64 -1.26 -4.73 113.62 130.83 1t8c n SER 110 Ca 0.00 -2.42 -0.19 0.00 1.01 0.00 0.00 58.87 57.27 1t8c n SER 110 Cb 0.00 -0.95 -0.01 0.00 -1.01 0.00 0.00 64.21 62.24 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 1.03 -0.50 0.00 0.23 0.00 -1.14 -4.92 105.19 99.89 1t8c n GLY 111 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.00 1.24 -4.12 1.61 1.85 -1.09 -4.73 116.66 108.42 1t8c n ARG 112 Ca -0.22 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.41 1t8c n ARG 112 Cb 0.67 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 32.03 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 1.86 2.98 -0.07 2.89 0.52 -1.26 -0.89 118.94 124.97 1t8c s TRP 113 Ca 0.00 -0.17 -0.03 0.00 0.02 0.00 0.00 56.10 55.92 1t8c s TRP 113 Cb 0.00 -1.41 0.04 0.00 -1.15 0.00 0.00 33.47 30.95 1t8c s TRP 113 CO 0.00 0.50 0.13 -0.80 0.02 0.00 0.00 176.95 176.79 1t8c s ASN 114 N -3.82 0.89 -0.22 2.95 0.01 0.17 -1.00 114.94 113.92 1t8c s ASN 114 Ca 0.34 0.24 -0.19 0.00 -0.71 0.00 0.00 52.86 52.54 1t8c s ASN 114 Cb -0.07 0.13 -0.03 0.00 0.41 0.00 0.00 41.25 41.69 1t8c s ASN 114 CO 0.24 -0.25 0.57 -0.62 -1.51 0.00 0.00 177.10 175.53 1t8c s ASP 115 N 2.25 6.57 0.16 -1.22 2.15 -1.26 -1.08 116.67 124.25 1t8c s ASP 115 Ca 0.04 0.70 -0.19 0.00 0.43 0.00 0.00 52.55 53.53 1t8c s ASP 115 Cb -0.12 -2.31 0.04 0.00 -0.30 0.00 0.00 42.92 40.23 1t8c s ASP 115 CO -0.05 -0.26 0.51 0.00 -0.17 0.00 0.00 175.17 175.20 1t8c s ALA 116 N 2.00 -1.12 0.00 3.66 0.00 -1.06 -4.85 121.76 120.39 1t8c s ALA 116 Ca 0.25 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1t8c s ALA 116 Cb -0.16 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1t8c s ALA 116 CO 0.09 -0.75 0.63 0.34 0.00 0.00 0.00 175.76 176.08 1t8c n PHE 117 N -0.32 0.00 0.00 0.00 7.35 0.98 -1.47 117.46 124.01 1t8c n PHE 117 Ca -0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 1t8c n PHE 117 Cb 0.63 -0.13 0.00 0.00 0.35 0.00 0.00 39.48 40.34 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 0.77 -4.62 0.00 2.03 -1.26 -4.82 116.55 108.64 1t8c n ASP 119 Ca 0.00 -0.65 -0.43 0.00 0.52 0.00 0.00 54.79 54.23 1t8c n ASP 119 Cb 0.00 0.67 -0.03 0.00 -0.72 0.00 0.00 41.12 41.04 1t8c n ASP 119 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1t8c s ARG 120 N -3.01 3.54 -0.86 -0.67 1.81 -1.26 -4.92 118.95 113.59 1t8c s ARG 120 Ca 0.09 2.14 -0.19 0.00 -1.72 0.00 0.00 55.73 56.05 1t8c s ARG 120 Cb 0.17 -4.26 0.12 0.00 -0.45 0.00 0.00 34.95 30.53 1t8c s ARG 120 CO 0.79 -1.64 1.05 0.15 -0.68 0.00 0.00 175.30 174.98 1t8c s LYS 121 N 5.52 3.48 0.00 3.54 -0.14 -1.26 -4.87 119.74 126.02 1t8c s LYS 121 Ca 0.92 -1.62 0.00 0.00 -1.36 0.00 0.00 55.97 53.92 1t8c s LYS 121 Cb -0.35 -4.74 0.00 0.00 -1.68 0.00 0.00 37.83 31.07 1t8c s LYS 121 CO 0.36 -1.74 0.00 1.28 -0.76 0.00 0.00 175.35 174.49 1t8c n LEU 122 N 6.59 0.00 -0.76 3.17 4.32 -1.26 -4.92 117.00 124.14 1t8c n LEU 122 Ca 0.17 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 56.12 1t8c n LEU 122 Cb 0.48 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.24 1t8c n LEU 122 CO 0.52 0.00 0.24 0.61 -1.22 0.00 0.00 177.39 177.54 1t8c n GLY 123 N 5.00 0.33 2.97 -0.72 0.00 -1.21 -4.57 105.19 106.98 1t8c n GLY 123 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.35 -0.48 4.61 0.00 -0.75 -1.39 121.76 123.39 1t8c s ALA 124 Ca 0.00 0.73 -0.16 0.00 0.00 0.00 0.00 51.96 52.52 1t8c s ALA 124 Cb 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 23.12 22.72 1t8c s ALA 124 CO 0.00 -0.16 0.46 -1.58 0.00 0.00 0.00 175.76 174.48 1t8c s TRP 125 N 1.05 3.19 -0.14 0.00 0.52 0.66 -3.11 118.94 121.12 1t8c s TRP 125 Ca -0.08 -0.82 -0.01 0.00 0.02 0.00 0.00 56.10 55.21 1t8c s TRP 125 Cb -0.10 -3.27 -0.02 0.00 -1.15 0.00 0.00 33.47 28.94 1t8c s TRP 125 CO -0.06 -0.86 -0.10 0.08 0.02 0.00 0.00 176.95 176.03 1t8c s VAL 126 N 1.91 3.31 0.18 4.03 1.01 -1.26 -0.23 120.40 129.35 1t8c s VAL 126 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1t8c s VAL 126 Cb -0.23 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1t8c s VAL 126 CO 0.08 0.51 0.06 0.00 0.00 0.00 0.00 175.10 175.75 1t8c s ASP 128 N -3.16 2.23 -0.04 0.00 -4.77 0.17 0.93 116.67 112.03 1t8c s ASP 128 Ca 0.29 -0.46 -0.26 0.00 -3.30 0.00 0.00 52.55 48.82 1t8c s ASP 128 Cb 0.07 -0.19 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 -0.97 0.95 0.20 2.11 6.06 0.19 0.11 118.95 127.59 1t8c s ARG 129 Ca 0.06 0.13 -0.31 0.00 -2.50 0.00 0.00 55.73 53.12 1t8c s ARG 129 Cb -0.08 0.44 -0.09 0.00 0.06 0.00 0.00 34.95 35.28 1t8c s ARG 129 CO 0.01 -0.29 1.43 -0.51 -2.50 0.00 0.00 175.30 173.44 1t8c s LEU 130 N -1.23 4.39 -0.18 -0.88 2.01 -1.26 -0.04 118.68 121.49 1t8c s LEU 130 Ca -0.12 2.54 -0.41 0.00 0.01 0.00 0.00 54.13 56.16 1t8c s LEU 130 Cb -0.01 -3.61 -0.18 0.00 0.01 0.00 0.00 46.19 42.40 1t8c s LEU 130 CO 0.08 -0.68 1.49 0.00 1.01 0.00 0.00 176.35 178.25 1t8c n ALA 131 N 3.00 -1.24 -3.37 4.21 0.00 -1.19 -4.77 120.51 117.15 1t8c n ALA 131 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1t8c n ALA 131 Cb 0.41 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1t8c n ALA 131 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1t8c n THR 132 N 3.37 0.00 -3.05 0.00 -2.24 -1.26 -4.82 114.28 106.28 1t8c n THR 132 Ca 0.24 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.97 1t8c n THR 132 Cb 0.10 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.34 1t8c n THR 132 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t8c s THR 134 N 0.08 -0.10 0.66 0.00 -4.23 -1.26 -4.77 115.64 106.02 1t8c s THR 134 Ca 0.14 -0.91 -0.15 0.00 -1.18 0.00 0.00 61.69 59.59 1t8c s THR 134 Cb -0.01 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1t8c s THR 134 CO 0.09 -0.73 1.13 -2.16 -0.54 0.00 0.00 174.62 172.40 1t8c s PRO 135 N 1.91 2.75 0.00 3.99 0.04 -1.26 -4.92 135.00 137.52 1t8c s PRO 135 Ca 0.11 1.46 0.14 0.00 0.04 0.00 0.00 61.00 62.76 1t8c s PRO 135 Cb -0.17 -1.94 0.65 0.00 0.04 0.00 0.00 34.50 33.09 1t8c s PRO 135 CO -0.27 -1.30 1.44 -0.35 0.04 0.00 0.00 177.00 176.56 1t8c n PRO 136 N -2.36 0.07 -0.02 0.56 -0.04 -1.26 -2.87 135.00 129.07 1t8c n PRO 136 Ca 0.11 0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 63.57 1t8c n PRO 136 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.34 1t8c n PRO 136 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t8c n ALA 137 N -1.43 0.85 -1.32 0.55 0.00 -1.26 -4.95 120.51 112.94 1t8c n ALA 137 Ca 0.05 -0.55 -0.16 0.00 0.00 0.00 0.00 53.44 52.77 1t8c n ALA 137 Cb 0.15 -0.66 0.18 0.00 0.00 0.00 0.00 19.45 19.12 1t8c n ALA 137 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t8c n SER 138 N -3.72 -1.06 -4.68 0.00 7.64 -1.14 -4.96 113.62 105.71 1t8c n SER 138 Ca -0.32 -1.16 -0.42 0.00 1.01 0.00 0.00 58.87 57.98 1t8c n SER 138 Cb 0.96 -0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 1t8c n SER 138 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1t8c s GLU 139 N -5.05 4.26 0.00 1.43 0.41 -1.26 -4.89 118.70 113.59 1t8c s GLU 139 Ca 0.56 1.91 0.00 0.00 -0.41 0.00 0.00 54.97 57.03 1t8c s GLU 139 Cb -0.04 -3.69 0.00 0.00 -1.78 0.00 0.00 34.13 28.62 1t8c s GLU 139 CO 0.42 -0.64 0.00 0.41 -0.49 0.00 0.00 175.26 174.96 1t8c n GLY 140 N 3.70 1.99 1.23 -1.39 0.00 -1.26 -4.94 105.19 104.52 1t8c n GLY 140 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1t8c n GLY 140 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t8c n SER 141 N 0.00 0.41 -3.18 1.61 2.88 -1.26 -5.03 113.62 109.05 1t8c n SER 141 Ca 0.00 0.10 -0.23 0.00 -1.33 0.00 0.00 58.87 57.42 1t8c n SER 141 Cb 0.00 -0.09 0.02 0.00 -0.75 0.00 0.00 64.21 63.40 1t8c n SER 141 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t8c n ALA 142 N -2.98 -1.03 -0.53 -1.46 0.00 -1.26 -5.29 120.51 107.96 1t8c n ALA 142 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1t8c n ALA 142 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 19.45 15.84 1t8c n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59