#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8a n THR 11 N 0.00 0.91 0.23 8.89 -1.04 -1.26 -3.87 114.28 118.14 1k8a n THR 11 Ca 0.00 0.38 0.18 0.00 -2.04 0.00 0.00 64.05 62.57 1k8a n THR 11 Cb 0.00 -1.33 0.84 0.00 -1.82 0.00 0.00 70.33 68.02 1k8a n THR 11 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1k8a h GLY 12 N 1.59 0.00 2.00 3.41 0.00 -1.93 0.72 103.07 108.86 1k8a h GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1k8a h GLY 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.54 176.61 1k8a h ARG 13 N 0.00 0.00 -0.00 4.80 0.11 -2.04 -2.41 114.38 114.85 1k8a h ARG 13 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1k8a h ARG 13 Cb 0.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.76 1k8a h ARG 13 CO -0.00 0.00 -0.09 1.19 0.10 0.00 0.00 179.97 181.17 1k8a n PHE 14 N -2.38 0.00 -4.00 4.08 0.99 0.25 -5.03 117.46 111.36 1k8a n PHE 14 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1k8a n PHE 14 Cb 0.18 -0.36 0.00 0.00 -1.00 0.00 0.00 39.48 38.30 1k8a n PHE 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1k8a n GLY 15 N 1.41 2.81 1.72 1.37 0.00 -0.91 -1.75 105.19 109.84 1k8a n GLY 15 Ca 0.10 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 1k8a n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k8a n PRO 16 N 14.00 2.93 -3.75 1.61 -0.04 -1.26 -4.94 135.00 143.55 1k8a n PRO 16 Ca 0.00 -2.28 -0.22 0.00 -0.04 0.00 0.00 63.50 60.95 1k8a n PRO 16 Cb 0.00 -1.97 -0.02 0.00 -0.04 0.00 0.00 33.50 31.47 1k8a n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1k8a s ARG 17 N -2.37 3.46 0.00 0.54 0.52 -0.71 -4.73 118.95 115.65 1k8a s ARG 17 Ca 0.41 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1k8a s ARG 17 Cb 0.33 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.99 1k8a s ARG 17 CO 0.10 0.33 0.00 0.66 0.02 0.00 0.00 175.30 176.41 1k8a n TYR 18 N -1.53 0.00 0.00 -0.53 0.53 -1.26 -4.90 117.16 109.46 1k8a n TYR 18 Ca -0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.81 1k8a n TYR 18 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.88 1k8a n TYR 18 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1k8a n GLY 19 N 0.00 1.39 0.01 2.72 0.00 -1.26 -4.62 105.19 103.44 1k8a n GLY 19 Ca 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 46.02 43.97 1k8a n GLY 19 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1k8a h LEU 20 N 0.00 -0.03 -0.63 0.99 3.38 -1.99 -3.21 115.31 113.82 1k8a h LEU 20 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1k8a h LEU 20 Cb 0.00 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 40.64 1k8a h LEU 20 CO 0.00 -0.02 -0.23 0.11 0.09 0.00 0.00 178.44 178.39 1k8a h LYS 21 N -0.03 -0.06 -0.25 1.13 1.57 -1.99 -0.18 116.57 116.75 1k8a h LYS 21 Ca -0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1k8a h LYS 21 Cb 0.03 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.27 1k8a h LYS 21 CO 0.01 -0.04 -0.43 0.82 -0.57 0.00 0.00 179.45 179.23 1k8a h ILE 22 N -0.07 0.13 0.00 1.86 2.04 -1.82 -2.53 117.51 117.12 1k8a h ILE 22 Ca 0.29 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.05 1k8a h ILE 22 Cb 0.51 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1k8a h ILE 22 CO -0.67 0.00 -0.45 0.08 0.00 0.00 0.00 178.15 177.11 1k8a h ARG 23 N -0.42 0.00 -0.48 2.37 0.11 -1.52 -2.95 114.38 111.49 1k8a h ARG 23 Ca 0.10 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.11 1k8a h ARG 23 Cb 0.61 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.67 1k8a h ARG 23 CO -0.47 0.45 0.02 0.28 0.10 0.00 0.00 179.97 180.34 1k8a h VAL 24 N 0.00 1.26 0.00 0.08 2.07 -0.92 -0.77 116.25 117.98 1k8a h VAL 24 Ca -0.00 -1.04 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 1k8a h VAL 24 Cb 1.35 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1k8a h VAL 24 CO 0.06 0.36 -0.49 0.03 0.02 0.00 0.00 177.57 177.55 1k8a h ARG 25 N 0.70 0.00 -0.07 1.57 3.08 -1.53 -0.47 114.38 117.66 1k8a h ARG 25 Ca 0.14 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.99 1k8a h ARG 25 Cb 0.49 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.55 1k8a h ARG 25 CO 0.02 0.49 -0.72 0.28 -1.07 0.00 0.00 179.97 178.98 1k8a h VAL 26 N 0.00 1.34 0.27 2.04 2.07 -1.34 -0.58 116.25 120.05 1k8a h VAL 26 Ca -0.00 -2.01 -0.01 0.00 0.82 0.00 0.00 66.70 65.49 1k8a h VAL 26 Cb 0.94 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1k8a h VAL 26 CO 0.06 0.61 -0.13 0.00 0.02 0.00 0.00 177.57 178.14 1k8a h ALA 27 N 0.44 -0.36 -0.29 1.67 0.00 -1.03 -1.05 119.26 118.64 1k8a h ALA 27 Ca -0.07 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1k8a h ALA 27 Cb 1.37 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 1k8a h ALA 27 CO 0.14 -0.61 -0.21 -0.44 0.00 0.00 0.00 179.25 178.14 1k8a h ASP 28 N -0.56 -0.67 -0.19 0.00 5.19 -1.13 0.52 116.42 119.57 1k8a h ASP 28 Ca -0.04 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1k8a h ASP 28 Cb 0.41 0.34 -0.01 0.00 0.18 0.00 0.00 39.33 40.25 1k8a h ASP 28 CO 0.06 -0.24 0.06 0.58 -3.12 0.00 0.00 179.24 176.58 1k8a h VAL 29 N -0.18 1.18 0.00 -1.35 2.07 -1.14 -2.98 116.25 113.85 1k8a h VAL 29 Ca 0.15 -0.57 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 1k8a h VAL 29 Cb 0.42 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1k8a h VAL 29 CO -0.40 0.18 -0.53 -0.33 0.02 0.00 0.00 177.57 176.51 1k8a h GLU 30 N 0.14 0.00 -0.44 1.57 5.08 -0.92 0.13 114.58 120.14 1k8a h GLU 30 Ca 0.06 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1k8a h GLU 30 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1k8a h GLU 30 CO -0.00 0.53 -0.09 0.97 -1.00 0.00 0.00 179.01 179.41 1k8a h ILE 31 N 0.00 1.27 -0.27 3.13 2.10 0.05 0.65 117.51 124.44 1k8a h ILE 31 Ca -0.01 -1.20 -0.06 0.00 1.08 0.00 0.00 64.86 64.68 1k8a h ILE 31 Cb 1.07 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.94 1k8a h ILE 31 CO 0.07 0.41 -0.06 0.11 -1.08 0.00 0.00 178.15 177.60 1k8a h LYS 32 N 0.67 0.52 -0.72 2.19 1.57 -1.52 -2.16 116.57 117.11 1k8a h LYS 32 Ca 0.11 -0.20 0.13 0.00 -1.87 0.00 0.00 60.65 58.82 1k8a h LYS 32 Cb 0.63 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.82 1k8a h LYS 32 CO 0.04 0.72 0.28 1.25 -0.57 0.00 0.00 179.45 181.18 1k8a h HIS 33 N 0.27 0.49 -0.02 -1.35 2.76 -0.63 -2.37 115.15 114.31 1k8a h HIS 33 Ca 0.07 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1k8a h HIS 33 Cb 0.53 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.38 1k8a h HIS 33 CO 0.05 0.08 -0.05 1.63 -1.30 0.00 0.00 177.93 178.34 1k8a n LYS 34 N -4.99 1.61 -1.14 5.26 5.02 0.22 -4.71 118.16 119.43 1k8a n LYS 34 Ca 0.13 -1.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.10 1k8a n LYS 34 Cb 0.37 -1.48 0.12 0.00 -0.02 0.00 0.00 35.03 34.02 1k8a n LYS 34 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k8a s LYS 35 N -2.08 1.79 0.05 1.97 1.02 -0.83 -4.95 119.74 116.71 1k8a s LYS 35 Ca 0.35 1.51 -0.31 0.00 0.02 0.00 0.00 55.97 57.54 1k8a s LYS 35 Cb 0.21 -1.82 -0.06 0.00 -0.52 0.00 0.00 37.83 35.64 1k8a s LYS 35 CO 0.36 -2.05 1.32 0.15 -0.92 0.00 0.00 175.35 174.21 1k8a s LYS 36 N -4.45 4.35 -0.09 1.68 1.02 -1.26 -4.93 119.74 116.06 1k8a s LYS 36 Ca 0.68 1.92 0.02 0.00 0.02 0.00 0.00 55.97 58.60 1k8a s LYS 36 Cb -0.23 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 1k8a s LYS 36 CO 0.52 -0.42 -0.13 -1.01 -0.92 0.00 0.00 175.35 173.39 1k8a s HIS 37 N 1.52 2.77 -0.41 3.18 3.76 -1.24 -4.98 115.29 119.90 1k8a s HIS 37 Ca 0.62 -0.34 -0.29 0.00 -0.15 0.00 0.00 55.06 54.90 1k8a s HIS 37 Cb -0.32 -1.73 0.02 0.00 1.11 0.00 0.00 32.58 31.66 1k8a s HIS 37 CO 0.28 0.03 1.18 0.15 -0.85 0.00 0.00 174.74 175.53 1k8a s LYS 38 N -0.27 3.82 0.44 1.40 1.02 -1.26 -2.02 119.74 122.86 1k8a s LYS 38 Ca 0.02 0.83 -0.26 0.00 0.02 0.00 0.00 55.97 56.58 1k8a s LYS 38 Cb -0.13 -3.88 -0.09 0.00 -0.52 0.00 0.00 37.83 33.22 1k8a s LYS 38 CO 0.03 -1.25 1.45 0.00 -0.92 0.00 0.00 175.35 174.66 1k8a h PRO 40 N 2.45 1.01 0.00 0.00 0.11 -1.95 -3.37 132.00 130.25 1k8a h PRO 40 Ca -0.51 -0.43 0.00 0.00 0.11 0.00 0.00 66.00 65.17 1k8a h PRO 40 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1k8a h PRO 40 CO 0.62 1.11 0.00 0.28 -0.21 0.00 0.00 178.00 179.80 1k8a n VAL 41 N -4.11 0.00 -0.95 3.15 0.31 -1.26 -4.87 118.33 110.60 1k8a n VAL 41 Ca 0.00 0.95 0.00 0.00 -0.01 0.00 0.00 64.34 65.29 1k8a n VAL 41 Cb 0.46 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1k8a n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k8a n GLY 43 N 5.00 -0.52 3.77 0.00 0.00 -1.26 -4.57 105.19 107.62 1k8a n GLY 43 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1k8a n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k8a s PHE 44 N -0.75 2.94 -0.76 1.61 0.40 -1.26 -4.41 117.98 115.75 1k8a s PHE 44 Ca 0.06 1.37 -0.07 0.00 -0.60 0.00 0.00 56.93 57.68 1k8a s PHE 44 Cb 0.05 -3.75 -0.12 0.00 0.51 0.00 0.00 43.02 39.71 1k8a s PHE 44 CO 0.11 -2.10 3.15 1.63 0.70 0.00 0.00 175.22 178.72 1k8a n LYS 45 N 0.69 2.93 -2.10 0.44 5.02 -1.26 -0.09 118.16 123.78 1k8a n LYS 45 Ca 0.00 -1.86 -0.23 0.00 -2.02 0.00 0.00 58.31 54.20 1k8a n LYS 45 Cb 0.41 -2.36 0.02 0.00 -0.02 0.00 0.00 35.03 33.08 1k8a n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1k8a n LYS 46 N 2.57 3.52 -3.89 1.97 5.02 -0.94 -4.09 118.16 122.31 1k8a n LYS 46 Ca 0.58 -4.18 -0.36 0.00 -2.02 0.00 0.00 58.31 52.34 1k8a n LYS 46 Cb 0.56 -2.25 -0.11 0.00 -0.02 0.00 0.00 35.03 33.21 1k8a n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k8a s LEU 47 N -3.60 3.61 0.03 -0.35 1.43 -0.85 -0.51 118.68 118.44 1k8a s LEU 47 Ca 0.50 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 1k8a s LEU 47 Cb 0.41 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1k8a s LEU 47 CO 0.01 0.06 -0.13 -0.54 0.23 0.00 0.00 176.35 175.98 1k8a s LYS 48 N 1.05 0.90 0.12 1.70 1.02 0.15 -3.60 119.74 121.09 1k8a s LYS 48 Ca 0.04 -0.70 -0.31 0.00 0.02 0.00 0.00 55.97 55.02 1k8a s LYS 48 Cb -0.14 -0.89 -0.09 0.00 -0.52 0.00 0.00 37.83 36.19 1k8a s LYS 48 CO 0.03 0.22 1.57 0.50 -0.92 0.00 0.00 175.35 176.75 1k8a s ARG 49 N -1.04 4.22 0.03 1.68 3.52 -1.26 -1.81 118.95 124.29 1k8a s ARG 49 Ca 0.01 2.31 0.18 0.00 -0.13 0.00 0.00 55.73 58.10 1k8a s ARG 49 Cb -0.07 -3.33 -0.17 0.00 -1.56 0.00 0.00 34.95 29.82 1k8a s ARG 49 CO 0.01 -0.63 0.69 0.00 -0.81 0.00 0.00 175.30 174.56 1k8a n ALA 50 N 4.58 2.05 0.00 6.12 0.00 0.19 -4.93 120.51 128.53 1k8a n ALA 50 Ca 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1k8a n ALA 50 Cb 0.40 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1k8a n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k8a n GLY 51 N 1.40 -0.97 3.54 0.00 0.00 -1.16 -4.98 105.19 103.02 1k8a n GLY 51 Ca -0.11 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 1k8a n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k8a n THR 52 N 2.99 0.02 -1.01 2.61 -1.04 -1.26 -1.68 114.28 114.91 1k8a n THR 52 Ca 0.00 -0.58 -0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1k8a n THR 52 Cb 0.00 -2.31 -0.00 0.00 -1.82 0.00 0.00 70.33 66.20 1k8a n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k8a n GLY 53 N 6.11 0.36 3.43 3.41 0.00 -1.23 -4.98 105.19 112.30 1k8a n GLY 53 Ca 0.41 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 1k8a n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k8a s ILE 54 N -1.70 3.42 0.03 -0.61 1.01 -0.67 -2.06 121.20 120.61 1k8a s ILE 54 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1k8a s ILE 54 Cb 0.00 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 1k8a s ILE 54 CO 0.00 0.52 -0.11 0.26 0.00 0.00 0.00 174.94 175.61 1k8a s TRP 55 N 0.29 0.92 0.03 3.97 0.52 -0.18 0.55 118.94 125.04 1k8a s TRP 55 Ca -0.07 -0.33 0.00 0.00 0.02 0.00 0.00 56.10 55.72 1k8a s TRP 55 Cb -0.15 -0.55 -0.03 0.00 -1.15 0.00 0.00 33.47 31.59 1k8a s TRP 55 CO 0.04 -0.01 -0.04 1.41 0.02 0.00 0.00 176.95 178.38 1k8a s MET 56 N -1.02 0.43 -0.27 4.98 1.75 -0.75 0.24 119.30 124.66 1k8a s MET 56 Ca -0.01 -0.81 -0.08 0.00 -1.25 0.00 0.00 55.69 53.54 1k8a s MET 56 Cb -0.07 0.07 -0.02 0.00 2.84 0.00 0.00 34.83 37.65 1k8a s MET 56 CO 0.01 -0.05 0.10 0.00 -0.65 0.00 0.00 175.02 174.43 1k8a h GLY 58 N 8.28 0.00 0.21 0.00 0.00 -1.14 1.25 103.07 111.67 1k8a h GLY 58 Ca -0.36 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1k8a h GLY 58 CO 0.59 0.00 -0.10 0.84 0.00 0.00 0.00 176.54 177.87 1k8a h HIS 59 N 0.00 -0.26 -0.01 5.60 6.17 -1.92 -3.39 115.15 121.34 1k8a h HIS 59 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1k8a h HIS 59 Cb 0.21 0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.22 1k8a h HIS 59 CO 0.00 -0.16 -0.46 0.00 0.71 0.00 0.00 177.93 178.02 1k8a n GLY 61 N 1.24 1.31 3.66 0.00 0.00 0.43 -4.99 105.19 106.84 1k8a n GLY 61 Ca 0.06 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.56 1k8a n GLY 61 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1k8a n TYR 62 N -2.00 1.96 -3.81 1.61 9.36 -1.25 -4.47 117.16 118.57 1k8a n TYR 62 Ca 0.00 0.42 -0.36 0.00 3.32 0.00 0.00 57.90 61.28 1k8a n TYR 62 Cb 0.00 -2.47 -0.13 0.00 -0.63 0.00 0.00 39.34 36.11 1k8a n TYR 62 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1k8a s LYS 63 N 2.10 3.31 0.28 2.98 2.20 -1.26 -0.69 119.74 128.66 1k8a s LYS 63 Ca 0.89 -0.69 0.09 0.00 -0.36 0.00 0.00 55.97 55.90 1k8a s LYS 63 Cb -0.89 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 1k8a s LYS 63 CO 0.51 -0.30 0.04 0.96 -0.36 0.00 0.00 175.35 176.20 1k8a s ILE 64 N 1.52 3.38 -0.20 5.43 -4.36 0.65 -4.96 121.20 122.65 1k8a s ILE 64 Ca 0.04 -1.84 -0.09 0.00 -0.26 0.00 0.00 60.65 58.51 1k8a s ILE 64 Cb -0.16 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.60 1k8a s ILE 64 CO 0.01 -0.32 0.10 0.00 0.24 0.00 0.00 174.94 174.96 1k8a s ALA 65 N -2.34 3.49 0.00 2.27 0.00 -1.26 -1.01 121.76 122.90 1k8a s ALA 65 Ca 0.33 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1k8a s ALA 65 Cb -0.05 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1k8a s ALA 65 CO 0.21 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.41 1k8a n GLY 66 N 3.81 3.93 2.54 0.00 0.00 -0.88 -4.97 105.19 109.62 1k8a n GLY 66 Ca -0.16 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.49 1k8a n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k8a n GLY 67 N 0.00 -3.11 0.08 -0.02 0.00 0.83 -4.67 105.19 98.31 1k8a n GLY 67 Ca 0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 1k8a n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k8a n TYR 69 N -3.41 0.00 -3.89 0.00 4.02 -1.26 -3.73 117.16 108.88 1k8a n TYR 69 Ca -0.06 -0.03 -0.11 0.00 -0.01 0.00 0.00 57.90 57.69 1k8a n TYR 69 Cb 0.99 -0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 40.18 1k8a n TYR 69 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1k8a s GLN 70 N -0.07 0.21 0.36 -0.72 -0.21 -1.26 -3.64 119.66 114.34 1k8a s GLN 70 Ca 0.00 -0.19 0.12 0.00 0.02 0.00 0.00 55.36 55.31 1k8a s GLN 70 Cb 0.00 0.09 0.68 0.00 1.00 0.00 0.00 33.01 34.78 1k8a s GLN 70 CO 0.00 -0.04 1.81 -1.00 -2.12 0.00 0.00 175.29 173.94 1k8a h PRO 71 N 5.35 0.04 -5.80 2.91 0.13 -1.93 0.24 132.00 132.93 1k8a h PRO 71 Ca -0.28 -0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.22 1k8a h PRO 71 Cb 1.20 -0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.03 1k8a h PRO 71 CO 0.44 0.41 -0.86 -1.21 -0.23 0.00 0.00 178.00 176.55 1k8a s GLU 72 N -4.20 1.93 0.26 0.86 2.02 -1.26 -2.99 118.70 115.31 1k8a s GLU 72 Ca -0.03 -0.74 0.09 0.00 0.02 0.00 0.00 54.97 54.30 1k8a s GLU 72 Cb 0.14 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.59 1k8a s GLU 72 CO 0.73 0.37 0.07 0.95 0.02 0.00 0.00 175.26 177.41 1k8a s THR 73 N -0.24 3.85 0.41 3.63 -4.23 -1.26 -4.78 115.64 113.02 1k8a s THR 73 Ca 0.01 -1.70 0.13 0.00 -1.18 0.00 0.00 61.69 58.95 1k8a s THR 73 Cb -0.11 -3.07 0.33 0.00 1.34 0.00 0.00 72.50 71.00 1k8a s THR 73 CO 0.01 -0.36 1.94 0.58 -0.54 0.00 0.00 174.62 176.25 1k8a h VAL 74 N 1.74 0.87 0.05 2.29 2.07 -2.00 -1.86 116.25 119.41 1k8a h VAL 74 Ca -0.46 -0.17 -0.26 0.00 0.82 0.00 0.00 66.70 66.63 1k8a h VAL 74 Cb 1.24 0.33 0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1k8a h VAL 74 CO 0.60 0.09 -1.10 0.00 0.02 0.00 0.00 177.57 177.19 1k8a h ALA 75 N 1.65 0.16 -0.33 1.67 0.00 -2.00 -3.16 119.26 117.25 1k8a h ALA 75 Ca 0.34 -0.75 0.05 0.00 0.00 0.00 0.00 54.91 54.55 1k8a h ALA 75 Cb 0.64 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1k8a h ALA 75 CO -0.11 0.76 0.22 0.78 0.00 0.00 0.00 179.25 180.91 1k8a h GLY 76 N 0.79 0.28 1.44 0.00 0.00 -1.74 -2.20 103.07 101.64 1k8a h GLY 76 Ca -0.13 -0.09 -0.20 0.00 0.00 0.00 0.00 47.33 46.90 1k8a h GLY 76 CO 0.20 0.08 -0.75 0.50 0.00 0.00 0.00 176.54 176.57 1k8a h LYS 77 N 0.24 0.55 0.00 4.80 1.57 -1.48 -3.19 116.57 119.06 1k8a h LYS 77 Ca 0.14 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 1k8a h LYS 77 Cb 0.26 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1k8a h LYS 77 CO -0.03 1.08 -0.15 0.00 -0.57 0.00 0.00 179.45 179.78 1k8a h ALA 78 N 0.79 1.29 0.07 3.86 0.00 -1.37 -3.02 119.26 120.89 1k8a h ALA 78 Ca -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1k8a h ALA 78 Cb 1.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1k8a h ALA 78 CO 0.14 0.19 -0.04 0.28 0.00 0.00 0.00 179.25 179.82 1k8a h VAL 79 N 0.00 1.08 -0.77 0.00 2.07 -1.50 -2.78 116.25 114.35 1k8a h VAL 79 Ca -0.00 -0.53 0.16 0.00 0.82 0.00 0.00 66.70 67.15 1k8a h VAL 79 Cb 0.39 1.42 -0.14 0.00 -1.52 0.00 0.00 31.29 31.45 1k8a h VAL 79 CO 0.02 0.13 -0.11 0.24 0.02 0.00 0.00 177.57 177.87 1k8a h MET 80 N -0.34 0.03 0.00 1.57 2.07 -1.62 -3.05 114.93 113.60 1k8a h MET 80 Ca -0.01 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1k8a h MET 80 Cb 0.29 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.01 1k8a h MET 80 CO 0.02 0.02 0.00 1.63 1.07 0.00 0.00 176.91 179.65 1k8a n LYS 81 N -5.44 0.00 0.00 1.72 5.02 -1.19 -5.18 118.16 113.09 1k8a n LYS 81 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1k8a n LYS 81 Cb 0.44 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 1k8a n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88