#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d6c s HIS 8 N 0.00 -0.01 0.01 -1.77 -3.43 -1.26 -5.13 115.29 103.70 3d6c s HIS 8 Ca 0.00 -0.04 -0.18 0.00 -0.80 0.00 0.00 55.06 54.03 3d6c s HIS 8 Cb 0.00 -0.02 -0.06 0.00 -1.43 0.00 0.00 32.58 31.08 3d6c s HIS 8 CO 0.00 -0.31 0.52 0.15 -2.00 0.00 0.00 174.74 173.10 3d6c s LYS 9 N -1.36 4.17 0.05 -0.38 1.02 -1.26 -4.36 119.74 117.61 3d6c s LYS 9 Ca -0.14 0.61 0.09 0.00 0.02 0.00 0.00 55.97 56.54 3d6c s LYS 9 Cb -0.07 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 3d6c s LYS 9 CO 0.02 0.53 -0.25 -1.21 -0.92 0.00 0.00 175.35 173.52 3d6c s GLU 10 N -0.67 1.71 0.58 1.68 2.02 0.12 -4.94 118.70 119.20 3d6c s GLU 10 Ca 0.27 -1.08 -0.19 0.00 0.02 0.00 0.00 54.97 54.00 3d6c s GLU 10 Cb -0.18 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 3d6c s GLU 10 CO 0.16 0.48 1.20 -1.25 0.02 0.00 0.00 175.26 175.87 3d6c s PRO 11 N -1.23 3.03 0.21 0.39 0.04 -1.26 -0.21 135.00 135.97 3d6c s PRO 11 Ca 0.11 1.81 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 3d6c s PRO 11 Cb -0.10 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.50 3d6c s PRO 11 CO 0.02 -1.15 0.46 0.00 0.04 0.00 0.00 177.00 176.36 3d6c s ALA 12 N -1.61 -0.48 -0.07 8.56 0.00 -0.65 -4.67 121.76 122.85 3d6c s ALA 12 Ca 0.77 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 52.16 3d6c s ALA 12 Cb -0.30 0.93 -0.00 0.00 0.00 0.00 0.00 23.12 23.75 3d6c s ALA 12 CO 0.32 -0.79 -0.22 0.99 0.00 0.00 0.00 175.76 176.06 3d6c s THR 13 N -3.95 1.83 0.25 0.00 2.01 -0.55 -3.96 115.64 111.27 3d6c s THR 13 Ca 0.16 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 3d6c s THR 13 Cb -0.00 -1.57 -0.11 0.00 0.01 0.00 0.00 72.50 70.83 3d6c s THR 13 CO 0.02 0.51 1.54 -0.22 -0.69 0.00 0.00 174.62 175.79 3d6c s LEU 14 N 0.08 4.37 -0.16 4.42 2.96 -1.26 0.63 118.68 129.71 3d6c s LEU 14 Ca -0.09 2.79 -0.12 0.00 -0.22 0.00 0.00 54.13 56.49 3d6c s LEU 14 Cb -0.14 -3.62 -0.07 0.00 0.50 0.00 0.00 46.19 42.86 3d6c s LEU 14 CO 0.05 -0.82 -0.27 -0.38 -1.32 0.00 0.00 176.35 173.60 3d6c n ILE 15 N 2.61 1.32 -3.65 6.68 5.41 -0.24 -4.77 119.36 126.72 3d6c n ILE 15 Ca 0.09 -0.02 -0.07 0.00 1.00 0.00 0.00 62.75 63.75 3d6c n ILE 15 Cb 0.38 -2.00 -0.07 0.00 -0.71 0.00 0.00 39.64 37.24 3d6c n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3d6c s LYS 16 N -2.56 0.61 0.02 0.38 2.20 -0.71 -5.00 119.74 114.68 3d6c s LYS 16 Ca -0.26 1.17 -0.30 0.00 -0.36 0.00 0.00 55.97 56.21 3d6c s LYS 16 Cb 0.07 0.21 -0.06 0.00 -1.51 0.00 0.00 37.83 36.54 3d6c s LYS 16 CO 0.35 -0.16 1.35 0.00 -0.36 0.00 0.00 175.35 176.53 3d6c s ALA 17 N 1.80 3.55 -0.26 3.13 0.00 -1.26 0.11 121.76 128.82 3d6c s ALA 17 Ca -0.09 0.89 -0.15 0.00 0.00 0.00 0.00 51.96 52.61 3d6c s ALA 17 Cb -0.07 -3.55 -0.12 0.00 0.00 0.00 0.00 23.12 19.38 3d6c s ALA 17 CO -0.18 -0.77 -0.31 -0.89 0.00 0.00 0.00 175.76 173.61 3d6c n ILE 18 N 4.42 1.52 -3.44 0.00 5.41 -0.57 -4.94 119.36 121.77 3d6c n ILE 18 Ca 0.12 -0.28 -0.03 0.00 1.00 0.00 0.00 62.75 63.56 3d6c n ILE 18 Cb 0.44 -1.96 -0.00 0.00 -0.71 0.00 0.00 39.64 37.41 3d6c n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3d6c n ASP 19 N -4.30 -0.39 -0.31 4.38 5.75 -0.82 -5.00 116.55 115.85 3d6c n ASP 19 Ca -0.47 -1.38 0.26 0.00 -0.01 0.00 0.00 54.79 53.19 3d6c n ASP 19 Cb 0.82 0.69 0.49 0.00 -1.03 0.00 0.00 41.12 42.08 3d6c n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d6c n GLY 20 N -0.12 -0.87 0.00 6.12 0.00 -1.26 -3.68 105.19 105.38 3d6c n GLY 20 Ca -0.01 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.83 3d6c n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d6c n ASP 21 N -5.23 1.23 -3.91 1.61 5.68 -1.26 -4.75 116.55 109.93 3d6c n ASP 21 Ca 0.33 -1.47 -0.21 0.00 -0.50 0.00 0.00 54.79 52.93 3d6c n ASP 21 Cb 1.10 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.91 3d6c n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3d6c s THR 22 N -0.47 0.65 0.01 2.12 2.01 -1.24 -0.42 115.64 118.30 3d6c s THR 22 Ca 0.00 -0.17 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 3d6c s THR 22 Cb 0.00 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 3d6c s THR 22 CO 0.00 0.25 -0.01 0.68 -0.69 0.00 0.00 174.62 174.86 3d6c s VAL 23 N 0.97 0.09 -0.19 3.82 -7.23 -0.45 -1.51 120.40 115.91 3d6c s VAL 23 Ca -0.10 -0.73 -0.10 0.00 -1.81 0.00 0.00 61.98 59.24 3d6c s VAL 23 Cb -0.14 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.51 3d6c s VAL 23 CO 0.00 -0.40 0.15 -0.75 -0.31 0.00 0.00 175.10 173.79 3d6c s LYS 24 N -1.19 4.11 0.15 4.82 2.47 0.12 -0.20 119.74 130.01 3d6c s LYS 24 Ca -0.13 -0.17 0.07 0.00 -1.56 0.00 0.00 55.97 54.17 3d6c s LYS 24 Cb -0.08 -3.39 -0.04 0.00 -1.46 0.00 0.00 37.83 32.86 3d6c s LYS 24 CO -0.01 0.35 -0.15 -0.51 0.16 0.00 0.00 175.35 175.20 3d6c s LEU 25 N 0.20 2.44 -0.35 5.43 1.43 0.09 -1.07 118.68 126.85 3d6c s LEU 25 Ca 0.10 -0.87 -0.22 0.00 -1.03 0.00 0.00 54.13 52.11 3d6c s LEU 25 Cb -0.11 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.48 3d6c s LEU 25 CO -0.01 -0.13 0.71 -0.32 0.23 0.00 0.00 176.35 176.83 3d6c s MET 26 N -2.90 3.75 -0.12 1.70 -2.45 0.20 -0.87 119.30 118.61 3d6c s MET 26 Ca 0.13 0.22 0.01 0.00 -1.25 0.00 0.00 55.69 54.80 3d6c s MET 26 Cb -0.04 -3.80 0.02 0.00 1.25 0.00 0.00 34.83 32.26 3d6c s MET 26 CO 0.04 -0.76 -0.13 -0.47 1.05 0.00 0.00 175.02 174.75 3d6c s TYR 27 N 2.88 1.89 -1.58 4.11 5.04 -0.52 -1.49 117.35 127.69 3d6c s TYR 27 Ca 0.28 -0.96 -0.15 0.00 -2.44 0.00 0.00 57.07 53.80 3d6c s TYR 27 Cb -0.14 -1.42 0.12 0.00 0.35 0.00 0.00 41.96 40.87 3d6c s TYR 27 CO 0.15 -0.54 0.84 1.63 -1.34 0.00 0.00 175.55 176.30 3d6c n LYS 28 N 4.54 -4.28 -0.58 4.97 4.76 -1.26 -1.74 118.16 124.56 3d6c n LYS 28 Ca -0.17 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 3d6c n LYS 28 Cb 0.51 -5.30 0.00 0.00 -1.84 0.00 0.00 35.03 28.40 3d6c n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d6c n GLY 29 N -1.50 1.37 3.29 0.72 0.00 -1.26 -5.03 105.19 102.79 3d6c n GLY 29 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3d6c n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d6c s GLN 30 N -0.17 2.43 0.29 1.61 -1.52 -0.71 -5.09 119.66 116.49 3d6c s GLN 30 Ca 0.00 -0.90 -0.29 0.00 -1.95 0.00 0.00 55.36 52.21 3d6c s GLN 30 Cb 0.00 -2.14 -0.10 0.00 -0.22 0.00 0.00 33.01 30.55 3d6c s GLN 30 CO 0.00 0.44 1.29 -1.25 -0.25 0.00 0.00 175.29 175.52 3d6c s PRO 31 N -0.31 4.39 -0.12 2.91 0.04 -1.26 -1.43 135.00 139.21 3d6c s PRO 31 Ca 0.01 2.14 -0.13 0.00 0.04 0.00 0.00 61.00 63.06 3d6c s PRO 31 Cb -0.13 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.34 3d6c s PRO 31 CO 0.02 -0.17 0.36 1.41 0.04 0.00 0.00 177.00 178.67 3d6c s MET 32 N -1.30 0.46 -0.06 4.56 1.75 -0.05 -4.93 119.30 119.74 3d6c s MET 32 Ca 0.51 0.42 -0.26 0.00 -1.25 0.00 0.00 55.69 55.10 3d6c s MET 32 Cb -0.38 0.22 -0.03 0.00 2.84 0.00 0.00 34.83 37.48 3d6c s MET 32 CO 0.48 -0.07 0.83 0.99 -0.65 0.00 0.00 175.02 176.60 3d6c s THR 33 N -0.00 4.95 -0.08 10.11 2.01 -1.26 -0.73 115.64 130.65 3d6c s THR 33 Ca -0.02 1.71 0.00 0.00 0.31 0.00 0.00 61.69 63.70 3d6c s THR 33 Cb -0.03 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 3d6c s THR 33 CO 0.01 0.18 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.70 3d6c s PHE 34 N 1.07 2.94 -0.12 4.92 0.40 0.72 0.03 117.98 127.94 3d6c s PHE 34 Ca 0.43 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.74 3d6c s PHE 34 Cb -0.19 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 3d6c s PHE 34 CO 0.21 0.29 -0.13 0.50 0.70 0.00 0.00 175.22 176.79 3d6c s ARG 35 N -0.68 3.31 0.06 0.44 6.06 0.51 -1.34 118.95 127.30 3d6c s ARG 35 Ca 0.10 -0.67 -0.31 0.00 -2.50 0.00 0.00 55.73 52.35 3d6c s ARG 35 Cb -0.11 -2.62 -0.07 0.00 0.06 0.00 0.00 34.95 32.20 3d6c s ARG 35 CO 0.02 0.26 1.48 -0.51 -2.50 0.00 0.00 175.30 174.05 3d6c s LEU 36 N 0.22 4.35 0.39 -0.88 1.02 0.44 -3.07 118.68 121.14 3d6c s LEU 36 Ca -0.08 2.30 -0.27 0.00 0.02 0.00 0.00 54.13 56.10 3d6c s LEU 36 Cb -0.15 -3.57 -0.09 0.00 0.02 0.00 0.00 46.19 42.40 3d6c s LEU 36 CO 0.05 -0.75 1.30 -0.76 0.02 0.00 0.00 176.35 176.20 3d6c s LEU 37 N 2.05 4.26 -0.12 1.79 1.43 -0.51 -3.86 118.68 123.72 3d6c s LEU 37 Ca 0.67 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 56.42 3d6c s LEU 37 Cb -0.36 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.01 3d6c s LEU 37 CO 0.29 -0.77 0.00 -0.62 0.23 0.00 0.00 176.35 175.49 3d6c n GLU 38 N 0.28 -1.08 -4.24 1.70 1.02 -1.25 -4.92 120.64 112.15 3d6c n GLU 38 Ca 0.03 0.34 -0.13 0.00 -0.02 0.00 0.00 57.16 57.38 3d6c n GLU 38 Cb 0.43 -4.19 -0.10 0.00 -0.02 0.00 0.00 31.44 27.56 3d6c n GLU 38 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3d6c s VAL 39 N -1.54 0.50 -0.13 2.62 -7.23 -1.19 -1.42 120.40 112.01 3d6c s VAL 39 Ca 0.00 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.15 3d6c s VAL 39 Cb 0.00 -2.24 0.07 0.00 0.56 0.00 0.00 36.38 34.77 3d6c s VAL 39 CO 0.00 -0.34 0.24 -0.62 -0.31 0.00 0.00 175.10 174.07 3d6c s ASP 40 N -3.18 0.53 0.43 4.85 2.15 -0.33 -4.60 116.67 116.52 3d6c s ASP 40 Ca 0.28 0.45 -0.04 0.00 0.43 0.00 0.00 52.55 53.68 3d6c s ASP 40 Cb 0.07 0.59 -0.04 0.00 -0.30 0.00 0.00 42.92 43.24 3d6c s ASP 40 CO 0.06 -0.25 0.71 0.42 -0.17 0.00 0.00 175.17 175.94 3d6c s THR 41 N 2.39 4.97 0.70 1.71 -4.23 -1.26 -2.02 115.64 117.89 3d6c s THR 41 Ca 0.02 0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.41 3d6c s THR 41 Cb -0.12 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 69.88 3d6c s THR 41 CO -0.08 -0.73 1.13 -2.84 -0.54 0.00 0.00 174.62 171.55 3d6c s PRO 42 N -4.53 2.53 0.37 3.99 0.02 -1.26 -4.92 135.00 131.20 3d6c s PRO 42 Ca 0.45 1.44 -0.26 0.00 0.02 0.00 0.00 61.00 62.65 3d6c s PRO 42 Cb -0.10 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 3d6c s PRO 42 CO 0.41 -1.47 1.17 -2.00 -0.33 0.00 0.00 177.00 174.79 3d6c s GLU 43 N -4.18 4.21 0.00 5.54 2.56 -1.26 -4.55 118.70 121.02 3d6c s GLU 43 Ca 0.68 1.88 0.00 0.00 0.00 0.00 0.00 54.97 57.52 3d6c s GLU 43 Cb -0.22 -2.82 0.00 0.00 2.00 0.00 0.00 34.13 33.09 3d6c s GLU 43 CO 0.45 -0.20 0.07 0.25 -0.56 0.00 0.00 175.26 175.27 3d6c n THR 44 N 0.37 0.00 -0.03 -1.70 -2.24 -1.26 -1.07 114.28 108.35 3d6c n THR 44 Ca 0.03 -0.28 -0.05 0.00 -2.27 0.00 0.00 64.05 61.48 3d6c n THR 44 Cb 0.46 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 3d6c n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3d6c n LYS 45 N -0.43 0.15 -2.61 -0.78 4.76 -1.26 -4.80 118.16 113.20 3d6c n LYS 45 Ca 0.00 0.04 -0.43 0.00 -2.87 0.00 0.00 58.31 55.05 3d6c n LYS 45 Cb 0.03 -1.05 -0.02 0.00 -1.84 0.00 0.00 35.03 32.15 3d6c n LYS 45 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3d6c s HIS 46 N -2.12 3.32 -0.02 2.13 2.46 -1.26 -4.93 115.29 114.87 3d6c s HIS 46 Ca -0.09 1.42 0.31 0.00 0.47 0.00 0.00 55.06 57.18 3d6c s HIS 46 Cb 0.02 -3.29 1.34 0.00 -0.13 0.00 0.00 32.58 30.52 3d6c s HIS 46 CO 0.14 -0.68 1.93 -1.00 -2.47 0.00 0.00 174.74 172.66 3d6c h PRO 47 N 7.40 0.00 0.57 2.88 0.13 -1.95 -2.09 132.00 138.94 3d6c h PRO 47 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 3d6c h PRO 47 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3d6c h PRO 47 CO 0.91 0.00 -0.35 -0.22 -0.23 0.00 0.00 178.00 178.11 3d6c h LYS 48 N 0.00 -0.83 0.00 0.86 3.64 -2.04 -3.25 116.57 114.95 3d6c h LYS 48 Ca 0.00 0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3d6c h LYS 48 Cb 0.42 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3d6c h LYS 48 CO 0.00 -0.55 -0.39 0.87 -2.27 0.00 0.00 179.45 177.11 3d6c h LYS 49 N -0.86 0.00 0.00 1.90 1.57 -1.95 -3.50 116.57 113.74 3d6c h LYS 49 Ca -0.08 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3d6c h LYS 49 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3d6c h LYS 49 CO 0.08 0.39 -0.03 0.41 -0.57 0.00 0.00 179.45 179.73 3d6c n GLY 50 N 0.67 -2.11 3.58 3.86 0.00 -0.80 -4.57 105.19 105.82 3d6c n GLY 50 Ca 0.01 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 3d6c n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d6c s VAL 51 N -0.58 4.04 0.57 1.61 1.01 -1.26 -4.40 120.40 121.39 3d6c s VAL 51 Ca 0.00 0.86 -0.15 0.00 0.00 0.00 0.00 61.98 62.69 3d6c s VAL 51 Cb 0.00 -4.71 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 3d6c s VAL 51 CO 0.00 -1.32 1.02 -1.61 0.00 0.00 0.00 175.10 173.19 3d6c s GLU 52 N 4.88 3.58 0.18 2.72 2.02 -0.23 -4.97 118.70 126.88 3d6c s GLU 52 Ca 0.42 1.02 -0.32 0.00 0.02 0.00 0.00 54.97 56.11 3d6c s GLU 52 Cb -0.08 -2.08 -0.11 0.00 0.10 0.00 0.00 34.13 31.97 3d6c s GLU 52 CO 0.25 -0.59 1.62 0.21 0.02 0.00 0.00 175.26 176.78 3d6c s LYS 53 N -4.31 4.18 -0.03 1.61 2.20 -1.26 -1.53 119.74 120.61 3d6c s LYS 53 Ca 0.60 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.66 3d6c s LYS 53 Cb -0.13 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 3d6c s LYS 53 CO 0.38 -0.66 0.00 0.66 -0.36 0.00 0.00 175.35 175.38 3d6c n TYR 54 N 3.95 0.00 0.14 4.03 4.01 -1.26 -4.80 117.16 123.24 3d6c n TYR 54 Ca 0.14 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.76 3d6c n TYR 54 Cb 0.37 -0.38 -0.07 0.00 -0.31 0.00 0.00 39.34 38.94 3d6c n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3d6c h GLY 55 N 0.00 -0.42 1.66 2.72 0.00 -1.51 0.14 103.07 105.66 3d6c h GLY 55 Ca -0.01 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 3d6c h GLY 55 CO 0.01 -0.15 0.18 -2.55 0.00 0.00 0.00 176.54 174.03 3d6c h PRO 56 N -0.85 0.44 -0.17 4.80 0.11 -1.87 -1.50 132.00 132.96 3d6c h PRO 56 Ca -0.04 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.88 3d6c h PRO 56 Cb 0.52 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3d6c h PRO 56 CO 0.07 0.33 -0.49 0.93 -0.21 0.00 0.00 178.00 178.63 3d6c h GLU 57 N 0.45 0.64 -0.59 1.05 3.07 -1.93 -1.39 114.58 115.88 3d6c h GLU 57 Ca 0.12 -0.45 -0.01 0.00 -0.50 0.00 0.00 59.36 58.52 3d6c h GLU 57 Cb 0.01 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 3d6c h GLU 57 CO -0.02 1.07 0.33 0.00 -1.40 0.00 0.00 179.01 178.99 3d6c h ALA 58 N 0.56 0.75 -0.40 3.43 0.00 -0.46 -1.84 119.26 121.31 3d6c h ALA 58 Ca -0.01 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3d6c h ALA 58 Cb 1.10 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3d6c h ALA 58 CO 0.10 0.25 0.07 0.77 0.00 0.00 0.00 179.25 180.44 3d6c h SER 59 N 0.79 -0.02 -0.35 0.00 0.02 -1.18 -1.85 113.55 110.96 3d6c h SER 59 Ca 0.21 0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 61.09 3d6c h SER 59 Cb 0.02 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3d6c h SER 59 CO -0.04 0.03 -0.28 0.00 -1.14 0.00 0.00 176.83 175.40 3d6c h ALA 60 N 1.31 0.74 0.30 3.77 0.00 -1.05 -0.68 119.26 123.65 3d6c h ALA 60 Ca 0.19 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3d6c h ALA 60 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3d6c h ALA 60 CO -0.26 0.66 -0.22 0.35 0.00 0.00 0.00 179.25 179.78 3d6c h PHE 61 N 0.74 -0.57 -0.48 0.00 3.57 -1.15 -1.03 116.94 118.02 3d6c h PHE 61 Ca 0.09 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3d6c h PHE 61 Cb 0.83 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 3d6c h PHE 61 CO 0.05 -0.33 0.29 1.15 -2.23 0.00 0.00 178.31 177.24 3d6c h THR 62 N -0.52 1.14 -0.19 4.41 2.02 -1.27 -0.85 112.91 117.65 3d6c h THR 62 Ca -0.02 -0.30 0.05 0.00 0.77 0.00 0.00 66.41 66.90 3d6c h THR 62 Cb 0.45 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 3d6c h THR 62 CO 0.01 0.14 -0.10 0.50 0.37 0.00 0.00 175.52 176.44 3d6c h LYS 63 N 0.64 -0.08 -0.34 6.66 3.64 -1.01 -0.42 116.57 125.65 3d6c h LYS 63 Ca 0.17 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3d6c h LYS 63 Cb -0.03 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3d6c h LYS 63 CO -0.03 -0.05 0.12 -0.22 -2.27 0.00 0.00 179.45 176.99 3d6c h LYS 64 N -0.08 0.53 -0.42 1.90 3.64 -0.95 0.88 116.57 122.07 3d6c h LYS 64 Ca 0.11 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3d6c h LYS 64 Cb 0.24 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3d6c h LYS 64 CO -0.25 0.54 0.22 1.98 -2.27 0.00 0.00 179.45 179.67 3d6c h MET 65 N 0.41 0.42 0.14 1.90 4.05 -0.80 -1.01 114.93 120.04 3d6c h MET 65 Ca 0.11 -0.03 -0.28 0.00 -0.28 0.00 0.00 59.70 59.23 3d6c h MET 65 Cb 0.22 -0.10 0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3d6c h MET 65 CO -0.01 0.28 -1.26 -0.39 0.23 0.00 0.00 176.91 175.76 3d6c h VAL 66 N 0.44 1.47 -0.11 -5.77 -1.51 -0.92 -3.18 116.25 106.66 3d6c h VAL 66 Ca 0.18 -2.99 -0.12 0.00 -1.23 0.00 0.00 66.70 62.54 3d6c h VAL 66 Cb 0.07 2.94 -0.01 0.00 -2.13 0.00 0.00 31.29 32.16 3d6c h VAL 66 CO -0.12 0.88 -0.48 -0.33 -1.23 0.00 0.00 177.57 176.29 3d6c h GLU 67 N 0.09 0.28 0.00 5.19 5.08 -0.77 -3.06 114.58 121.38 3d6c h GLU 67 Ca -0.15 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3d6c h GLU 67 Cb 1.98 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.24 3d6c h GLU 67 CO 0.21 0.70 -0.16 0.09 -1.00 0.00 0.00 179.01 178.86 3d6c n ASN 68 N -3.97 0.42 -4.77 1.42 3.02 -0.39 -4.91 115.26 106.09 3d6c n ASN 68 Ca -0.02 0.36 -0.38 0.00 -0.03 0.00 0.00 54.58 54.51 3d6c n ASN 68 Cb 0.54 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 3d6c n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d6c s ALA 69 N -3.05 3.20 0.10 5.41 0.00 -1.16 -4.96 121.76 121.29 3d6c s ALA 69 Ca 0.11 0.93 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 3d6c s ALA 69 Cb 0.16 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 19.76 3d6c s ALA 69 CO 0.60 -0.44 1.30 0.87 0.00 0.00 0.00 175.76 178.10 3d6c h LYS 70 N 2.82 0.78 -3.71 0.00 1.57 -1.90 -3.46 116.57 112.67 3d6c h LYS 70 Ca -0.48 -0.62 -0.38 0.00 -1.87 0.00 0.00 60.65 57.29 3d6c h LYS 70 Cb 1.23 0.13 -0.36 0.00 0.08 0.00 0.00 32.23 33.31 3d6c h LYS 70 CO 0.63 1.23 -0.75 0.15 -0.57 0.00 0.00 179.45 180.14 3d6c s LYS 71 N -3.77 0.41 -0.10 3.15 1.02 -1.26 -5.02 119.74 114.16 3d6c s LYS 71 Ca -0.11 0.10 -0.04 0.00 0.02 0.00 0.00 55.97 55.94 3d6c s LYS 71 Cb 0.08 -0.66 -0.04 0.00 -0.52 0.00 0.00 37.83 36.69 3d6c s LYS 71 CO 0.90 -0.19 0.04 0.42 -0.92 0.00 0.00 175.35 175.59 3d6c s ILE 72 N 1.39 4.65 0.05 2.17 -1.09 -1.25 -0.98 121.20 126.14 3d6c s ILE 72 Ca -0.04 -0.12 0.04 0.00 -2.23 0.00 0.00 60.65 58.30 3d6c s ILE 72 Cb -0.13 -2.99 -0.02 0.00 -1.58 0.00 0.00 42.46 37.74 3d6c s ILE 72 CO -0.03 0.60 -0.12 -1.61 -1.23 0.00 0.00 174.94 172.55 3d6c s GLU 73 N -0.81 0.75 -0.01 2.79 2.02 -0.45 -1.63 118.70 121.36 3d6c s GLU 73 Ca 0.13 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.35 3d6c s GLU 73 Cb -0.12 -0.69 -0.03 0.00 0.10 0.00 0.00 34.13 33.39 3d6c s GLU 73 CO 0.03 0.16 -0.10 0.14 0.02 0.00 0.00 175.26 175.50 3d6c s VAL 74 N -1.12 3.40 -0.28 2.63 -7.23 0.71 -0.92 120.40 117.59 3d6c s VAL 74 Ca -0.03 -0.79 -0.01 0.00 -1.81 0.00 0.00 61.98 59.34 3d6c s VAL 74 Cb -0.09 -2.43 0.09 0.00 0.56 0.00 0.00 36.38 34.51 3d6c s VAL 74 CO 0.01 0.45 0.07 -0.70 -0.31 0.00 0.00 175.10 174.62 3d6c s GLU 75 N -1.21 0.85 0.59 4.82 2.12 -0.16 0.15 118.70 125.87 3d6c s GLU 75 Ca 0.15 -0.99 -0.18 0.00 0.36 0.00 0.00 54.97 54.30 3d6c s GLU 75 Cb -0.11 -2.14 -0.03 0.00 0.26 0.00 0.00 34.13 32.10 3d6c s GLU 75 CO 0.05 -0.88 1.19 -0.06 -0.54 0.00 0.00 175.26 175.02 3d6c s PHE 76 N 1.60 2.43 0.27 5.30 0.08 -1.26 -1.00 117.98 125.39 3d6c s PHE 76 Ca 0.06 1.53 -0.01 0.00 0.12 0.00 0.00 56.93 58.63 3d6c s PHE 76 Cb -0.17 -3.43 0.05 0.00 -0.57 0.00 0.00 43.02 38.90 3d6c s PHE 76 CO -0.19 -2.10 0.37 -3.47 -0.10 0.00 0.00 175.22 169.72 3d6c n ASP 77 N -1.64 0.40 0.00 1.36 -0.08 -1.26 -4.62 116.55 110.71 3d6c n ASP 77 Ca 0.13 -1.36 0.13 0.00 -1.51 0.00 0.00 54.79 52.18 3d6c n ASP 77 Cb 0.50 -0.25 0.64 0.00 2.34 0.00 0.00 41.12 44.36 3d6c n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 3d6c n LYS 78 N -1.70 0.28 0.00 -0.67 2.85 -1.26 -4.85 118.16 112.80 3d6c n LYS 78 Ca 0.06 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 3d6c n LYS 78 Cb 0.20 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 3d6c n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3d6c n GLY 79 N 1.05 2.61 3.76 2.58 0.00 -1.24 -4.94 105.19 109.00 3d6c n GLY 79 Ca 0.11 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 3d6c n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d6c s GLN 80 N 3.71 4.10 0.00 1.61 -0.21 -1.09 -4.93 119.66 122.86 3d6c s GLN 80 Ca 0.00 2.61 0.19 0.00 0.02 0.00 0.00 55.36 58.18 3d6c s GLN 80 Cb 0.00 -3.00 -0.17 0.00 1.00 0.00 0.00 33.01 30.83 3d6c s GLN 80 CO 0.00 -0.63 0.83 0.54 -2.12 0.00 0.00 175.29 173.91 3d6c n ARG 81 N 1.77 0.86 -4.10 2.91 3.00 -1.26 -4.80 116.66 115.04 3d6c n ARG 81 Ca 0.07 -0.15 -0.14 0.00 -0.01 0.00 0.00 57.85 57.61 3d6c n ARG 81 Cb 0.37 -1.39 -0.13 0.00 0.00 0.00 0.00 32.46 31.32 3d6c n ARG 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3d6c s THR 82 N -2.70 0.50 0.37 0.55 -4.23 -1.26 -0.32 115.64 108.55 3d6c s THR 82 Ca 0.09 -0.76 -0.05 0.00 -1.18 0.00 0.00 61.69 59.79 3d6c s THR 82 Cb 0.15 -0.52 0.08 0.00 1.34 0.00 0.00 72.50 73.55 3d6c s THR 82 CO 0.73 -0.19 0.50 -0.90 -0.54 0.00 0.00 174.62 174.22 3d6c n ASP 83 N 2.03 0.19 0.07 3.99 5.68 -0.49 -4.92 116.55 123.09 3d6c n ASP 83 Ca -0.19 -1.28 0.11 0.00 -0.50 0.00 0.00 54.79 52.94 3d6c n ASP 83 Cb 0.56 -0.37 0.44 0.00 -1.14 0.00 0.00 41.12 40.62 3d6c n ASP 83 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3d6c n LYS 84 N -2.02 0.12 -0.27 0.11 5.02 -1.26 -2.46 118.16 117.41 3d6c n LYS 84 Ca 0.07 0.27 0.10 0.00 -2.02 0.00 0.00 58.31 56.73 3d6c n LYS 84 Cb 0.24 -1.70 0.27 0.00 -0.02 0.00 0.00 35.03 33.82 3d6c n LYS 84 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3d6c n TYR 85 N -1.92 0.70 -1.00 2.13 4.01 -1.26 -4.92 117.16 114.90 3d6c n TYR 85 Ca 0.04 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 3d6c n TYR 85 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 3d6c n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d6c n GLY 86 N 1.44 0.53 3.70 2.72 0.00 -1.03 -5.01 105.19 107.54 3d6c n GLY 86 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3d6c n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d6c s ARG 87 N -0.07 4.49 0.35 1.61 0.52 -1.26 -4.73 118.95 119.85 3d6c s ARG 87 Ca 0.00 1.31 -0.29 0.00 -0.52 0.00 0.00 55.73 56.23 3d6c s ARG 87 Cb 0.00 -3.49 -0.11 0.00 0.52 0.00 0.00 34.95 31.87 3d6c s ARG 87 CO 0.00 -0.12 1.50 0.41 0.02 0.00 0.00 175.30 177.11 3d6c n GLY 88 N 3.02 1.17 3.27 -3.53 0.00 0.10 -1.40 105.19 107.82 3d6c n GLY 88 Ca 0.06 0.36 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 3d6c n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d6c s LEU 89 N -1.45 3.68 0.24 0.99 1.43 0.56 -0.36 118.68 123.77 3d6c s LEU 89 Ca 0.57 -0.88 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 3d6c s LEU 89 Cb -0.49 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 43.95 3d6c s LEU 89 CO 0.59 -0.19 0.52 0.00 0.23 0.00 0.00 176.35 177.49 3d6c s ALA 90 N 1.40 -0.49 -0.11 4.21 0.00 -1.17 -4.41 121.76 121.18 3d6c s ALA 90 Ca 0.00 -0.69 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 3d6c s ALA 90 Cb -0.18 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 3d6c s ALA 90 CO -0.00 -0.87 0.64 0.71 0.00 0.00 0.00 175.76 176.24 3d6c s TYR 91 N -3.98 3.51 -0.14 0.00 2.02 -0.17 -1.43 117.35 117.17 3d6c s TYR 91 Ca 0.18 1.10 -0.04 0.00 -0.37 0.00 0.00 57.07 57.95 3d6c s TYR 91 Cb -0.01 -2.76 -0.03 0.00 -0.40 0.00 0.00 41.96 38.75 3d6c s TYR 91 CO 0.07 0.03 0.01 0.42 -1.57 0.00 0.00 175.55 174.51 3d6c s ILE 92 N 1.08 4.35 -0.07 2.71 -1.09 -1.26 -0.99 121.20 125.92 3d6c s ILE 92 Ca 0.33 -0.21 0.04 0.00 -2.23 0.00 0.00 60.65 58.58 3d6c s ILE 92 Cb -0.17 -2.89 -0.02 0.00 -1.58 0.00 0.00 42.46 37.80 3d6c s ILE 92 CO 0.14 0.53 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.89 3d6c s TYR 93 N -0.13 2.62 -0.26 3.97 1.51 -0.10 0.36 117.35 125.32 3d6c s TYR 93 Ca 0.05 -0.52 -0.00 0.00 -1.01 0.00 0.00 57.07 55.58 3d6c s TYR 93 Cb -0.13 -1.67 0.04 0.00 -0.11 0.00 0.00 41.96 40.09 3d6c s TYR 93 CO 0.02 -0.09 -0.07 0.00 -1.11 0.00 0.00 175.55 174.30 3d6c s ALA 94 N -0.21 2.67 -1.52 3.71 0.00 -0.07 -1.34 121.76 125.00 3d6c s ALA 94 Ca -0.01 -1.58 -0.05 0.00 0.00 0.00 0.00 51.96 50.32 3d6c s ALA 94 Cb -0.13 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.34 3d6c s ALA 94 CO 0.03 -0.98 0.39 -0.25 0.00 0.00 0.00 175.76 174.95 3d6c n ASP 95 N 4.60 -0.62 0.00 0.00 8.00 -0.15 -1.29 116.55 127.09 3d6c n ASP 95 Ca -0.15 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.25 3d6c n ASP 95 Cb 0.45 -2.55 0.00 0.00 -0.02 0.00 0.00 41.12 39.01 3d6c n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d6c n GLY 96 N -1.99 1.21 3.64 0.44 0.00 -1.26 -5.01 105.19 102.22 3d6c n GLY 96 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 3d6c n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d6c s LYS 97 N -0.07 4.01 -0.10 1.61 1.02 -0.41 -5.02 119.74 120.78 3d6c s LYS 97 Ca 0.00 -0.32 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 3d6c s LYS 97 Cb 0.00 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 3d6c s LYS 97 CO 0.00 0.21 1.22 1.41 -0.92 0.00 0.00 175.35 177.28 3d6c s MET 98 N 0.56 4.31 0.16 1.68 1.75 -1.26 -0.89 119.30 125.61 3d6c s MET 98 Ca 0.05 1.67 -0.12 0.00 -1.25 0.00 0.00 55.69 56.04 3d6c s MET 98 Cb -0.12 -3.63 0.06 0.00 2.84 0.00 0.00 34.83 33.97 3d6c s MET 98 CO 0.01 -0.54 1.68 0.28 -0.65 0.00 0.00 175.02 175.80 3d6c h VAL 99 N 5.19 1.24 -0.19 10.11 2.07 -0.46 -0.57 116.25 133.64 3d6c h VAL 99 Ca -0.31 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.40 3d6c h VAL 99 Cb 1.14 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3d6c h VAL 99 CO 0.91 0.31 -0.01 0.78 0.02 0.00 0.00 177.57 179.58 3d6c h ASN 100 N 0.80 -0.10 -0.48 0.57 4.21 -1.91 -0.82 115.58 117.84 3d6c h ASN 100 Ca 0.18 0.05 -0.07 0.00 1.21 0.00 0.00 56.30 57.67 3d6c h ASN 100 Cb 0.31 0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.58 3d6c h ASN 100 CO -0.00 -0.03 0.04 -0.08 -1.29 0.00 0.00 177.43 176.08 3d6c h GLU 101 N 0.04 0.82 -0.39 0.81 4.81 -1.89 -2.85 114.58 115.92 3d6c h GLU 101 Ca 0.09 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3d6c h GLU 101 Cb 0.12 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 3d6c h GLU 101 CO -0.16 0.84 0.11 0.00 -0.73 0.00 0.00 179.01 179.07 3d6c h ALA 102 N 0.94 0.44 -0.14 2.92 0.00 -0.71 -0.10 119.26 122.62 3d6c h ALA 102 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3d6c h ALA 102 Cb 0.44 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3d6c h ALA 102 CO 0.02 -0.29 0.08 -0.07 0.00 0.00 0.00 179.25 178.99 3d6c h LEU 103 N 0.25 0.14 -0.24 0.00 3.38 -1.11 -1.03 115.31 116.71 3d6c h LEU 103 Ca 0.18 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3d6c h LEU 103 Cb 0.19 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3d6c h LEU 103 CO -0.21 0.10 0.14 0.58 0.09 0.00 0.00 178.44 179.14 3d6c h VAL 104 N 0.17 1.09 -0.18 1.22 2.07 -1.25 -0.36 116.25 119.01 3d6c h VAL 104 Ca 0.05 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3d6c h VAL 104 Cb -0.01 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3d6c h VAL 104 CO -0.02 0.09 -0.07 -0.09 0.02 0.00 0.00 177.57 177.50 3d6c h ARG 105 N 0.29 0.28 0.00 1.57 9.65 -0.80 -0.80 114.38 124.56 3d6c h ARG 105 Ca 0.08 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3d6c h ARG 105 Cb 0.02 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 3d6c h ARG 105 CO -0.02 0.36 0.00 0.94 2.80 0.00 0.00 179.97 184.06 3d6c n GLN 106 N -4.32 0.52 -1.99 0.20 -0.06 -0.41 -4.43 117.38 106.90 3d6c n GLN 106 Ca -0.00 0.02 -0.10 0.00 -2.00 0.00 0.00 57.00 54.92 3d6c n GLN 106 Cb 0.23 -1.50 -0.01 0.00 -4.06 0.00 0.00 30.24 24.90 3d6c n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3d6c n GLY 107 N 0.93 0.23 0.40 1.69 0.00 -0.31 -4.54 105.19 103.59 3d6c n GLY 107 Ca 0.15 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.76 3d6c n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d6c n LEU 108 N -1.42 1.72 -3.85 0.99 4.77 -0.18 -1.27 117.00 117.75 3d6c n LEU 108 Ca -0.12 -0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 54.88 3d6c n LEU 108 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 3d6c n LEU 108 CO 0.15 0.33 -0.11 0.00 -1.33 0.00 0.00 177.39 176.42 3d6c s ALA 109 N -1.34 -0.31 0.13 -1.18 0.00 -1.15 -4.35 121.76 113.55 3d6c s ALA 109 Ca 0.13 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.77 3d6c s ALA 109 Cb 0.10 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 3d6c s ALA 109 CO 0.24 -0.38 0.05 0.15 0.00 0.00 0.00 175.76 175.82 3d6c s LYS 110 N -2.79 2.67 0.16 0.00 1.02 -0.86 -4.26 119.74 115.68 3d6c s LYS 110 Ca -0.03 -0.88 -0.32 0.00 0.02 0.00 0.00 55.97 54.76 3d6c s LYS 110 Cb -0.00 -2.56 -0.10 0.00 -0.52 0.00 0.00 37.83 34.65 3d6c s LYS 110 CO -0.05 0.51 1.59 0.08 -0.92 0.00 0.00 175.35 176.56 3d6c s VAL 111 N -1.53 2.60 0.17 3.17 1.01 -1.26 -1.19 120.40 123.37 3d6c s VAL 111 Ca 0.28 0.41 -0.20 0.00 0.00 0.00 0.00 61.98 62.47 3d6c s VAL 111 Cb -0.11 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 33.06 3d6c s VAL 111 CO 0.20 0.03 0.55 0.00 0.00 0.00 0.00 175.10 175.88 3d6c s ALA 112 N 1.25 -1.30 -1.47 5.51 0.00 -0.51 -4.85 121.76 120.40 3d6c s ALA 112 Ca 0.71 0.17 -0.08 0.00 0.00 0.00 0.00 51.96 52.77 3d6c s ALA 112 Cb -0.44 0.84 0.03 0.00 0.00 0.00 0.00 23.12 23.55 3d6c s ALA 112 CO 0.31 -0.77 0.72 0.66 0.00 0.00 0.00 175.76 176.68 3d6c n TYR 113 N -0.34 -2.11 -2.65 0.00 4.01 -1.26 -3.19 117.16 111.61 3d6c n TYR 113 Ca -0.14 0.63 -0.42 0.00 -0.16 0.00 0.00 57.90 57.81 3d6c n TYR 113 Cb 0.64 -4.17 -0.03 0.00 -0.31 0.00 0.00 39.34 35.46 3d6c n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3d6c s VAL 114 N -3.16 3.95 0.23 -0.72 1.01 -1.26 -4.59 120.40 115.86 3d6c s VAL 114 Ca 0.41 -0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.20 3d6c s VAL 114 Cb -0.19 -4.86 0.07 0.00 0.00 0.00 0.00 36.38 31.39 3d6c s VAL 114 CO 0.51 -1.74 0.90 0.00 0.00 0.00 0.00 175.10 174.77 3d6c n TYR 115 N 8.75 -1.59 -2.81 5.22 -0.00 -1.26 -4.99 117.16 120.48 3d6c n TYR 115 Ca 0.05 -1.35 -0.22 0.00 -0.00 0.00 0.00 57.90 56.38 3d6c n TYR 115 Cb 0.48 0.66 0.02 0.00 -0.00 0.00 0.00 39.34 40.50 3d6c n TYR 115 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3d6c n LYS 116 N -0.63 -3.70 -0.10 -3.48 5.02 -1.26 -1.89 118.16 112.12 3d6c n LYS 116 Ca -0.04 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 3d6c n LYS 116 Cb 0.55 -5.71 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 3d6c n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d6c n GLY 117 N -1.32 1.14 2.81 0.72 0.00 -1.26 -2.66 105.19 104.62 3d6c n GLY 117 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3d6c n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d6c n ASN 118 N 0.00 6.51 -0.16 1.61 3.02 -0.79 -3.70 115.26 121.74 3d6c n ASN 118 Ca 0.00 -3.35 0.06 0.00 -0.03 0.00 0.00 54.58 51.26 3d6c n ASN 118 Cb 0.00 -1.32 0.08 0.00 -0.61 0.00 0.00 39.78 37.93 3d6c n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3d6c n ASN 119 N 1.79 1.59 -0.35 6.41 6.94 -1.26 -4.51 115.26 125.88 3d6c n ASN 119 Ca 0.39 -2.55 0.07 0.00 -0.02 0.00 0.00 54.58 52.48 3d6c n ASN 119 Cb 0.31 -0.29 0.24 0.00 -2.36 0.00 0.00 39.78 37.68 3d6c n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3d6c h THR 120 N 1.87 0.88 -0.58 5.53 2.02 -2.01 -2.16 112.91 118.45 3d6c h THR 120 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3d6c h THR 120 Cb 1.03 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3d6c h THR 120 CO 0.00 0.17 0.00 1.41 0.37 0.00 0.00 175.52 177.47 3d6c n HIS 121 N -4.67 1.45 0.15 3.16 8.25 -1.26 -4.64 115.22 117.65 3d6c n HIS 121 Ca 0.19 -0.56 -0.13 0.00 -0.26 0.00 0.00 57.72 56.95 3d6c n HIS 121 Cb 0.38 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 3d6c n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3d6c h GLU 122 N 3.73 -0.45 -0.58 -0.41 4.81 -1.75 -1.05 114.58 118.88 3d6c h GLU 122 Ca 0.00 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 3d6c h GLU 122 Cb 1.43 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.89 3d6c h GLU 122 CO 0.25 -0.30 -0.01 1.96 -0.73 0.00 0.00 179.01 180.18 3d6c h GLN 123 N -0.46 1.02 -0.42 1.92 1.08 -1.83 0.22 115.11 116.64 3d6c h GLN 123 Ca 0.01 -0.32 0.09 0.00 -1.45 0.00 0.00 58.65 56.97 3d6c h GLN 123 Cb 0.44 -0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.69 3d6c h GLN 123 CO -0.07 1.01 -0.16 1.25 -0.95 0.00 0.00 178.83 179.91 3d6c h LEU 124 N 0.94 -0.55 -0.26 1.46 5.85 -1.83 -0.35 115.31 120.56 3d6c h LEU 124 Ca 0.17 0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.93 3d6c h LEU 124 Cb 0.56 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3d6c h LEU 124 CO 0.03 -0.19 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.63 3d6c h LEU 125 N -0.07 0.67 -0.83 2.25 3.38 -0.82 -2.18 115.31 117.72 3d6c h LEU 125 Ca 0.20 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.77 3d6c h LEU 125 Cb 0.38 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3d6c h LEU 125 CO -0.47 0.99 0.51 0.03 0.09 0.00 0.00 178.44 179.60 3d6c h ARG 126 N 0.35 0.91 -0.02 1.13 3.08 -0.42 -0.97 114.38 118.45 3d6c h ARG 126 Ca 0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3d6c h ARG 126 Cb 0.80 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 3d6c h ARG 126 CO 0.06 0.60 0.01 0.87 -1.07 0.00 0.00 179.97 180.45 3d6c h LYS 127 N 0.94 0.03 -0.90 0.04 1.57 -0.98 -0.71 116.57 116.56 3d6c h LYS 127 Ca 0.36 -0.00 0.22 0.00 -1.87 0.00 0.00 60.65 59.36 3d6c h LYS 127 Cb 0.15 -0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.33 3d6c h LYS 127 CO -0.17 0.10 0.39 0.00 -0.57 0.00 0.00 179.45 179.20 3d6c h ALA 128 N 0.93 1.44 -0.17 3.86 0.00 -1.05 -1.72 119.26 122.55 3d6c h ALA 128 Ca 0.01 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3d6c h ALA 128 Cb 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3d6c h ALA 128 CO -0.00 -0.35 -0.04 1.49 0.00 0.00 0.00 179.25 180.35 3d6c h GLU 129 N 0.39 0.32 -0.92 0.00 4.81 -0.63 -1.35 114.58 117.20 3d6c h GLU 129 Ca 0.56 -0.12 0.12 0.00 -0.13 0.00 0.00 59.36 59.79 3d6c h GLU 129 Cb 1.07 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.35 3d6c h GLU 129 CO -0.53 0.59 0.54 0.00 -0.73 0.00 0.00 179.01 178.88 3d6c h ALA 130 N 0.72 1.37 -0.23 2.92 0.00 -0.88 0.13 119.26 123.29 3d6c h ALA 130 Ca 0.04 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3d6c h ALA 130 Cb 0.47 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3d6c h ALA 130 CO 0.02 0.11 -0.23 0.37 0.00 0.00 0.00 179.25 179.52 3d6c h GLN 131 N 0.85 0.56 -0.77 0.00 5.75 -1.16 0.20 115.11 120.53 3d6c h GLN 131 Ca 0.46 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 3d6c h GLN 131 Cb 0.50 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.03 3d6c h GLN 131 CO -0.28 0.89 0.45 0.00 -2.65 0.00 0.00 178.83 177.23 3d6c h ALA 132 N 0.67 1.34 0.11 3.38 0.00 -0.83 -1.08 119.26 122.84 3d6c h ALA 132 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3d6c h ALA 132 Cb 0.78 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3d6c h ALA 132 CO 0.06 0.56 -0.05 -0.22 0.00 0.00 0.00 179.25 179.59 3d6c h LYS 133 N 1.06 -0.14 -0.92 0.00 3.64 -0.59 -1.39 116.57 118.24 3d6c h LYS 133 Ca 0.28 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.83 3d6c h LYS 133 Cb -0.02 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.75 3d6c h LYS 133 CO -0.05 0.12 0.59 -0.22 -2.27 0.00 0.00 179.45 177.62 3d6c h LYS 134 N -0.38 0.63 -0.00 1.90 3.64 -0.79 0.52 116.57 122.09 3d6c h LYS 134 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3d6c h LYS 134 Cb 0.32 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3d6c h LYS 134 CO 0.02 0.42 -0.04 0.39 -2.27 0.00 0.00 179.45 177.97 3d6c n GLU 135 N -4.58 0.71 -3.92 1.90 1.02 -0.42 -4.92 120.64 110.42 3d6c n GLU 135 Ca 0.19 -0.12 -0.28 0.00 -0.02 0.00 0.00 57.16 56.93 3d6c n GLU 135 Cb 0.54 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.47 3d6c n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d6c n LYS 136 N -1.04 -4.60 -3.14 3.49 5.02 0.17 -4.92 118.16 113.15 3d6c n LYS 136 Ca 0.17 0.53 -0.40 0.00 -2.02 0.00 0.00 58.31 56.59 3d6c n LYS 136 Cb 0.23 -5.17 -0.06 0.00 -0.02 0.00 0.00 35.03 30.00 3d6c n LYS 136 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3d6c s LEU 137 N -7.08 4.19 0.00 -0.35 2.96 -0.74 -3.29 118.68 114.37 3d6c s LEU 137 Ca 0.39 0.88 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 3d6c s LEU 137 Cb -0.20 -2.89 0.00 0.00 0.50 0.00 0.00 46.19 43.60 3d6c s LEU 137 CO 0.85 -0.20 0.00 0.59 -1.32 0.00 0.00 176.35 176.27 3d6c n ASN 138 N 4.62 0.00 -0.33 3.68 3.02 -1.26 -1.86 115.26 123.13 3d6c n ASN 138 Ca -0.02 0.00 0.31 0.00 -0.03 0.00 0.00 54.58 54.83 3d6c n ASN 138 Cb 0.50 0.00 0.65 0.00 -0.61 0.00 0.00 39.78 40.32 3d6c n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3d6c h ILE 139 N 0.00 0.43 -0.45 2.41 2.04 -1.50 0.39 117.51 120.82 3d6c h ILE 139 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3d6c h ILE 139 Cb 0.00 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3d6c h ILE 139 CO 0.00 0.03 0.00 0.79 0.00 0.00 0.00 178.15 178.97 3d6c n TRP 140 N -4.39 0.60 1.80 1.37 7.02 -0.78 -5.14 117.44 117.93 3d6c n TRP 140 Ca 0.26 -0.30 0.15 0.00 -1.02 0.00 0.00 57.50 56.59 3d6c n TRP 140 Cb 1.12 0.00 0.78 0.00 -2.42 0.00 0.00 31.31 30.79 3d6c n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54