#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8c s GLN 2 N 0.00 2.05 0.56 3.17 0.74 -1.26 -0.60 119.66 124.32 2k8c s GLN 2 Ca 0.00 -1.96 -0.07 0.00 0.05 0.00 0.00 55.36 53.37 2k8c s GLN 2 Cb 0.00 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.52 2k8c s GLN 2 CO 0.00 -1.08 0.90 0.96 -0.55 0.00 0.00 175.29 175.52 2k8c s ILE 3 N 0.88 4.41 -0.24 -2.34 -0.00 -0.85 -4.41 121.20 118.65 2k8c s ILE 3 Ca 0.10 0.33 -0.08 0.00 -0.00 0.00 0.00 60.65 61.00 2k8c s ILE 3 Cb -0.22 -3.72 -0.03 0.00 -0.00 0.00 0.00 42.46 38.48 2k8c s ILE 3 CO -0.04 -0.80 0.08 -0.36 -0.00 0.00 0.00 174.94 173.82 2k8c s PHE 4 N -2.96 3.11 -0.28 1.37 0.08 -0.80 -2.09 117.98 116.40 2k8c s PHE 4 Ca 0.52 -0.33 -0.05 0.00 0.12 0.00 0.00 56.93 57.19 2k8c s PHE 4 Cb -0.11 -2.23 0.01 0.00 -0.57 0.00 0.00 43.02 40.13 2k8c s PHE 4 CO 0.48 -0.29 0.04 0.54 -0.10 0.00 0.00 175.22 175.89 2k8c s VAL 5 N 1.48 3.67 -0.21 -0.44 0.11 0.11 0.07 120.40 125.19 2k8c s VAL 5 Ca 0.06 -0.78 -0.21 0.00 -2.93 0.00 0.00 61.98 58.12 2k8c s VAL 5 Cb -0.15 -2.89 -0.02 0.00 -1.53 0.00 0.00 36.38 31.79 2k8c s VAL 5 CO 0.04 0.11 0.65 -0.75 -3.33 0.00 0.00 175.10 171.82 2k8c s LYS 6 N 1.45 4.19 0.55 1.54 2.20 0.13 -0.48 119.74 129.32 2k8c s LYS 6 Ca 0.02 0.64 -0.09 0.00 -0.36 0.00 0.00 55.97 56.17 2k8c s LYS 6 Cb -0.17 -3.60 0.13 0.00 -1.51 0.00 0.00 37.83 32.68 2k8c s LYS 6 CO 0.01 -0.30 0.75 0.25 -0.36 0.00 0.00 175.35 175.69 2k8c n THR 7 N 4.84 0.00 0.20 3.43 -2.24 0.45 -0.52 114.28 120.45 2k8c n THR 7 Ca -0.01 -0.57 0.09 0.00 -2.27 0.00 0.00 64.05 61.29 2k8c n THR 7 Cb 0.49 -1.70 0.27 0.00 -2.10 0.00 0.00 70.33 67.30 2k8c n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2k8c h LEU 8 N 0.00 0.00 -1.24 3.22 5.85 -1.86 -2.97 115.31 118.31 2k8c h LEU 8 Ca -0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2k8c h LEU 8 Cb 0.67 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2k8c h LEU 8 CO 0.17 0.24 0.00 1.07 -0.34 0.00 0.00 178.44 179.59 2k8c n THR 9 N -3.24 0.22 0.00 1.05 5.66 -1.26 -4.91 114.28 111.80 2k8c n THR 9 Ca 0.02 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 2k8c n THR 9 Cb 0.54 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 69.80 2k8c n THR 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k8c n GLY 10 N 1.18 3.05 3.69 1.09 0.00 -1.12 -5.02 105.19 108.06 2k8c n GLY 10 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2k8c n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8c s LYS 11 N -0.69 4.14 -0.34 1.61 2.20 -1.26 -4.61 119.74 120.78 2k8c s LYS 11 Ca 0.00 2.57 -0.11 0.00 -0.36 0.00 0.00 55.97 58.08 2k8c s LYS 11 Cb 0.00 -3.58 0.01 0.00 -1.51 0.00 0.00 37.83 32.75 2k8c s LYS 11 CO 0.00 -0.83 0.19 0.99 -0.36 0.00 0.00 175.35 175.34 2k8c s THR 12 N 2.68 4.68 0.16 3.43 2.01 -1.26 -0.41 115.64 126.92 2k8c s THR 12 Ca 0.80 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.26 2k8c s THR 12 Cb -0.46 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2k8c s THR 12 CO 0.36 -0.07 0.26 -0.63 -0.69 0.00 0.00 174.62 173.85 2k8c s ILE 13 N 1.60 5.14 -0.15 1.82 1.01 0.37 -4.89 121.20 126.09 2k8c s ILE 13 Ca 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.91 2k8c s ILE 13 Cb -0.18 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.66 2k8c s ILE 13 CO 0.07 -0.11 -0.20 -0.89 0.00 0.00 0.00 174.94 173.81 2k8c s THR 14 N -1.76 1.93 -0.09 2.92 2.01 -1.26 0.09 115.64 119.49 2k8c s THR 14 Ca 0.34 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.49 2k8c s THR 14 Cb -0.11 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 2k8c s THR 14 CO 0.27 0.52 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.76 2k8c s LEU 15 N 1.08 2.31 -0.24 4.42 2.01 -0.89 -4.97 118.68 122.40 2k8c s LEU 15 Ca -0.01 -0.44 -0.13 0.00 0.01 0.00 0.00 54.13 53.55 2k8c s LEU 15 Cb -0.14 -1.46 -0.04 0.00 0.01 0.00 0.00 46.19 44.55 2k8c s LEU 15 CO -0.07 0.21 0.27 -1.83 1.01 0.00 0.00 176.35 175.94 2k8c s GLU 16 N 0.05 4.08 0.19 1.70 1.03 -1.26 -2.01 118.70 122.48 2k8c s GLU 16 Ca -0.08 -0.08 -0.07 0.00 0.03 0.00 0.00 54.97 54.77 2k8c s GLU 16 Cb -0.15 -3.57 -0.02 0.00 -0.80 0.00 0.00 34.13 29.59 2k8c s GLU 16 CO 0.05 -0.05 0.27 0.14 -1.33 0.00 0.00 175.26 174.34 2k8c s VAL 17 N 1.38 0.03 0.19 1.83 -7.23 0.23 -4.97 120.40 111.87 2k8c s VAL 17 Ca 0.12 -1.63 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 2k8c s VAL 17 Cb -0.15 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 2k8c s VAL 17 CO 0.07 -0.15 0.34 -1.61 -0.31 0.00 0.00 175.10 173.44 2k8c s GLU 18 N -4.05 3.46 0.54 4.82 0.41 -1.26 -0.23 118.70 122.40 2k8c s GLU 18 Ca 0.26 -0.54 0.26 0.00 -0.41 0.00 0.00 54.97 54.54 2k8c s GLU 18 Cb 0.04 -2.91 1.55 0.00 -1.78 0.00 0.00 34.13 31.03 2k8c s GLU 18 CO 0.06 0.46 2.15 -1.00 -0.49 0.00 0.00 175.26 176.44 2k8c h PRO 19 N 1.90 0.00 -0.01 0.39 0.13 -1.99 -0.56 132.00 131.86 2k8c h PRO 19 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k8c h PRO 19 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k8c h PRO 19 CO 0.67 0.07 -0.21 -1.13 -0.23 0.00 0.00 178.00 177.17 2k8c n SER 20 N -3.85 0.78 -4.69 1.44 3.41 -1.26 -3.53 113.62 105.92 2k8c n SER 20 Ca -0.02 -0.72 -0.42 0.00 -0.26 0.00 0.00 58.87 57.44 2k8c n SER 20 Cb 0.16 0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2k8c n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k8c s ASP 21 N -2.52 7.05 0.45 4.04 2.15 -0.22 -4.98 116.67 122.64 2k8c s ASP 21 Ca 0.25 1.88 -0.23 0.00 0.43 0.00 0.00 52.55 54.88 2k8c s ASP 21 Cb 0.19 -2.56 -0.08 0.00 -0.30 0.00 0.00 42.92 40.17 2k8c s ASP 21 CO 0.51 -0.56 1.13 0.42 -0.17 0.00 0.00 175.17 176.50 2k8c s THR 22 N 1.95 3.29 0.30 1.71 -4.23 -1.26 -4.13 115.64 113.27 2k8c s THR 22 Ca 0.57 0.95 0.05 0.00 -1.18 0.00 0.00 61.69 62.08 2k8c s THR 22 Cb -0.26 -3.48 0.30 0.00 1.34 0.00 0.00 72.50 70.40 2k8c s THR 22 CO 0.24 -0.03 1.80 0.40 -0.54 0.00 0.00 174.62 176.49 2k8c h ILE 23 N 1.90 0.77 -0.92 2.99 1.08 -1.38 0.21 117.51 122.16 2k8c h ILE 23 Ca -0.49 -0.28 0.03 0.00 -0.39 0.00 0.00 64.86 63.72 2k8c h ILE 23 Cb 1.24 -0.13 -0.05 0.00 -3.07 0.00 0.00 36.82 34.81 2k8c h ILE 23 CO 0.60 0.15 0.61 1.05 -0.69 0.00 0.00 178.15 179.87 2k8c h GLU 24 N 0.83 1.15 -0.22 2.37 -0.00 -1.80 0.18 114.58 117.08 2k8c h GLU 24 Ca 0.55 -0.07 -0.14 0.00 -0.00 0.00 0.00 59.36 59.70 2k8c h GLU 24 Cb 0.78 -0.26 -0.01 0.00 -0.00 0.00 0.00 28.75 29.26 2k8c h GLU 24 CO -0.34 0.76 -0.46 -0.97 -0.00 0.00 0.00 179.01 178.00 2k8c h ASN 25 N 1.18 0.61 -0.41 3.06 -1.24 -1.33 -0.92 115.58 116.53 2k8c h ASN 25 Ca 0.36 -0.29 -0.04 0.00 0.71 0.00 0.00 56.30 57.04 2k8c h ASN 25 Cb -0.02 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.84 2k8c h ASN 25 CO -0.10 0.98 0.10 0.58 -1.29 0.00 0.00 177.43 177.69 2k8c h VAL 26 N 0.46 1.23 -0.21 2.57 2.07 -0.46 -2.05 116.25 119.86 2k8c h VAL 26 Ca 0.03 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 2k8c h VAL 26 Cb 0.97 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2k8c h VAL 26 CO 0.09 0.28 -0.06 0.11 0.02 0.00 0.00 177.57 178.01 2k8c h LYS 27 N 0.52 0.32 -0.39 1.57 1.57 -0.49 -2.24 116.57 117.41 2k8c h LYS 27 Ca 0.13 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 2k8c h LYS 27 Cb 0.31 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2k8c h LYS 27 CO 0.00 0.39 -0.17 0.00 -0.57 0.00 0.00 179.45 179.10 2k8c h ALA 28 N 1.64 0.97 0.00 3.86 0.00 -0.67 -2.35 119.26 122.72 2k8c h ALA 28 Ca 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2k8c h ALA 28 Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2k8c h ALA 28 CO 0.01 0.60 -0.12 0.87 0.00 0.00 0.00 179.25 180.61 2k8c h LYS 29 N 0.65 0.00 -0.05 0.00 1.57 -0.77 -1.31 116.57 116.66 2k8c h LYS 29 Ca 0.10 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 2k8c h LYS 29 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2k8c h LYS 29 CO 0.05 0.12 -0.66 0.82 -0.57 0.00 0.00 179.45 179.21 2k8c h ILE 30 N 0.00 1.41 0.00 1.86 2.04 -1.27 -1.26 117.51 120.29 2k8c h ILE 30 Ca -0.00 -2.12 -0.12 0.00 1.00 0.00 0.00 64.86 63.63 2k8c h ILE 30 Cb 0.37 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 2k8c h ILE 30 CO 0.02 0.62 -0.56 -0.61 0.00 0.00 0.00 178.15 177.62 2k8c h GLN 31 N 0.15 0.00 -0.03 2.37 4.15 -1.02 0.13 115.11 120.85 2k8c h GLN 31 Ca -0.01 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.24 2k8c h GLN 31 Cb 1.18 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.88 2k8c h GLN 31 CO 0.10 0.56 -0.62 0.22 -1.93 0.00 0.00 178.83 177.15 2k8c h ASP 32 N 0.00 0.60 0.00 -0.69 3.58 -1.11 -2.22 116.42 116.59 2k8c h ASP 32 Ca -0.01 -0.72 -0.08 0.00 0.42 0.00 0.00 57.03 56.64 2k8c h ASP 32 Cb 1.26 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.12 2k8c h ASP 32 CO 0.07 1.24 -0.54 0.11 -2.88 0.00 0.00 179.24 177.24 2k8c h LYS 33 N 0.02 0.00 0.11 0.28 1.57 -1.25 -3.41 116.57 113.89 2k8c h LYS 33 Ca -0.07 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.36 2k8c h LYS 33 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 2k8c h LYS 33 CO 0.12 0.67 -1.91 0.93 -0.57 0.00 0.00 179.45 178.69 2k8c h GLU 34 N -1.00 0.24 0.00 3.15 4.39 -0.98 -3.49 114.58 116.89 2k8c h GLU 34 Ca -0.13 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.17 2k8c h GLU 34 Cb 0.87 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2k8c h GLU 34 CO -0.08 1.11 0.00 0.41 -1.16 0.00 0.00 179.01 179.29 2k8c n GLY 35 N 1.90 0.74 3.60 -3.84 0.00 -0.64 -4.98 105.19 101.98 2k8c n GLY 35 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 2k8c n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k8c s ILE 36 N -2.00 4.57 0.37 -0.61 1.01 -1.22 -4.82 121.20 118.50 2k8c s ILE 36 Ca 0.00 1.22 -0.27 0.00 0.00 0.00 0.00 60.65 61.59 2k8c s ILE 36 Cb 0.00 -4.35 -0.10 0.00 0.01 0.00 0.00 42.46 38.02 2k8c s ILE 36 CO 0.00 -0.55 1.37 -2.16 0.00 0.00 0.00 174.94 173.59 2k8c s PRO 37 N 3.52 4.12 0.55 2.79 0.04 -1.26 -2.62 135.00 142.14 2k8c s PRO 37 Ca 0.39 2.31 0.36 0.00 0.04 0.00 0.00 61.00 64.10 2k8c s PRO 37 Cb -0.12 -2.92 1.63 0.00 0.04 0.00 0.00 34.50 33.14 2k8c s PRO 37 CO 0.19 -0.42 2.06 -1.00 0.04 0.00 0.00 177.00 177.87 2k8c h PRO 38 N 2.99 0.00 -0.03 0.56 0.13 -1.92 -2.80 132.00 130.92 2k8c h PRO 38 Ca -0.50 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.42 2k8c h PRO 38 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k8c h PRO 38 CO 0.64 0.00 -0.88 0.22 -0.23 0.00 0.00 178.00 177.75 2k8c h ASP 39 N 0.00 0.52 -0.63 1.44 3.58 -1.94 -3.24 116.42 116.15 2k8c h ASP 39 Ca 0.00 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.05 2k8c h ASP 39 Cb 0.33 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2k8c h ASP 39 CO 0.00 1.18 0.00 0.00 -2.88 0.00 0.00 179.24 177.54 2k8c n GLN 40 N -3.77 2.67 -4.35 0.28 3.00 -1.08 -4.95 117.38 109.17 2k8c n GLN 40 Ca -0.06 -2.55 -0.24 0.00 -0.01 0.00 0.00 57.00 54.14 2k8c n GLN 40 Cb 0.80 -1.55 -0.08 0.00 0.00 0.00 0.00 30.24 29.41 2k8c n GLN 40 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 2k8c s GLN 41 N -1.13 2.06 -0.12 -1.09 -2.07 -1.11 -4.23 119.66 111.97 2k8c s GLN 41 Ca 0.46 -1.65 -0.05 0.00 -1.82 0.00 0.00 55.36 52.30 2k8c s GLN 41 Cb 0.24 -1.97 0.06 0.00 -1.09 0.00 0.00 33.01 30.26 2k8c s GLN 41 CO 0.33 0.24 0.25 0.50 -1.32 0.00 0.00 175.29 175.29 2k8c s ARG 42 N -3.66 0.15 -0.21 9.60 3.52 0.12 -4.94 118.95 123.54 2k8c s ARG 42 Ca 0.33 0.68 -0.12 0.00 -0.13 0.00 0.00 55.73 56.49 2k8c s ARG 42 Cb -0.03 -0.07 -0.05 0.00 -1.56 0.00 0.00 34.95 33.24 2k8c s ARG 42 CO 0.19 -0.25 0.21 -0.51 -0.81 0.00 0.00 175.30 174.12 2k8c s LEU 43 N 2.09 4.17 -0.10 -0.88 1.43 -1.26 -0.77 118.68 123.36 2k8c s LEU 43 Ca -0.02 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 2k8c s LEU 43 Cb -0.12 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 2k8c s LEU 43 CO -0.08 0.08 -0.20 -0.63 0.23 0.00 0.00 176.35 175.75 2k8c s ILE 44 N 0.79 2.48 -0.19 -0.59 1.01 -0.65 -0.48 121.20 123.57 2k8c s ILE 44 Ca 0.11 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 2k8c s ILE 44 Cb -0.13 -1.98 0.06 0.00 0.01 0.00 0.00 42.46 40.42 2k8c s ILE 44 CO 0.03 0.55 0.01 0.12 0.00 0.00 0.00 174.94 175.65 2k8c s PHE 45 N 0.17 1.32 -2.04 3.97 5.36 0.89 -2.82 117.98 124.83 2k8c s PHE 45 Ca -0.11 -0.99 0.00 0.00 -0.96 0.00 0.00 56.93 54.87 2k8c s PHE 45 Cb -0.16 -1.14 0.00 0.00 -0.34 0.00 0.00 43.02 41.38 2k8c s PHE 45 CO 0.06 -0.62 0.00 0.00 -1.46 0.00 0.00 175.22 173.20 2k8c n ALA 46 N 4.97 -0.42 0.00 11.12 0.00 -1.26 -1.54 120.51 133.38 2k8c n ALA 46 Ca -0.10 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2k8c n ALA 46 Cb 0.47 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2k8c n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k8c n GLY 47 N -0.65 2.71 3.73 0.00 0.00 -1.26 -5.05 105.19 104.67 2k8c n GLY 47 Ca -0.22 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2k8c n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8c s LYS 48 N 0.00 4.65 0.20 1.61 1.02 -0.59 -5.03 119.74 121.62 2k8c s LYS 48 Ca 0.00 1.56 -0.21 0.00 0.02 0.00 0.00 55.97 57.35 2k8c s LYS 48 Cb 0.00 -3.34 -0.08 0.00 -0.52 0.00 0.00 37.83 33.89 2k8c s LYS 48 CO 0.00 0.15 0.72 1.14 -0.92 0.00 0.00 175.35 176.45 2k8c s GLN 49 N -0.13 4.30 -0.87 1.68 -2.07 -1.26 -0.08 119.66 121.24 2k8c s GLN 49 Ca 0.48 0.91 -0.22 0.00 -1.82 0.00 0.00 55.36 54.71 2k8c s GLN 49 Cb -0.26 -2.96 0.08 0.00 -1.09 0.00 0.00 33.01 28.79 2k8c s GLN 49 CO 0.32 0.44 1.19 -0.51 -1.32 0.00 0.00 175.29 175.40 2k8c s LEU 50 N -1.80 4.28 0.82 2.60 1.43 0.37 -4.92 118.68 121.46 2k8c s LEU 50 Ca 0.41 -1.47 -0.11 0.00 -1.03 0.00 0.00 54.13 51.93 2k8c s LEU 50 Cb -0.18 -2.47 0.08 0.00 0.03 0.00 0.00 46.19 43.66 2k8c s LEU 50 CO 0.22 -1.35 1.09 -1.61 0.23 0.00 0.00 176.35 174.92 2k8c s GLU 51 N 3.95 1.87 0.12 1.70 2.02 -1.26 -4.67 118.70 122.42 2k8c s GLU 51 Ca 0.34 0.95 -0.17 0.00 0.02 0.00 0.00 54.97 56.10 2k8c s GLU 51 Cb -0.07 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 2k8c s GLU 51 CO -0.02 -1.85 1.67 -0.44 0.02 0.00 0.00 175.26 174.63 2k8c h ASP 52 N -1.27 0.44 -0.08 -0.19 3.32 -1.94 -3.09 116.42 113.61 2k8c h ASP 52 Ca -0.46 -0.16 -0.14 0.00 0.02 0.00 0.00 57.03 56.28 2k8c h ASP 52 Cb 1.26 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 2k8c h ASP 52 CO 0.54 0.49 -0.16 0.61 -1.72 0.00 0.00 179.24 178.99 2k8c n GLY 53 N -0.75 2.94 3.15 2.75 0.00 -1.26 -3.70 105.19 108.32 2k8c n GLY 53 Ca -0.02 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 2k8c n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k8c s ARG 54 N 0.34 0.78 0.25 1.61 1.81 -1.17 -5.05 118.95 117.51 2k8c s ARG 54 Ca 0.39 -1.17 0.09 0.00 -1.72 0.00 0.00 55.73 53.32 2k8c s ARG 54 Cb 0.20 -0.31 -0.05 0.00 -0.45 0.00 0.00 34.95 34.34 2k8c s ARG 54 CO -0.01 0.02 -0.16 0.95 -0.68 0.00 0.00 175.30 175.42 2k8c s THR 55 N -2.87 2.06 0.17 0.02 -4.23 -1.26 -1.58 115.64 107.96 2k8c s THR 55 Ca 0.06 -2.29 -0.13 0.00 -1.18 0.00 0.00 61.69 58.16 2k8c s THR 55 Cb 0.00 -2.21 0.08 0.00 1.34 0.00 0.00 72.50 71.70 2k8c s THR 55 CO -0.02 -0.47 1.77 -0.07 -0.54 0.00 0.00 174.62 175.29 2k8c h LEU 56 N 2.39 0.76 -1.02 4.79 3.38 -1.71 -2.09 115.31 121.80 2k8c h LEU 56 Ca -0.39 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 2k8c h LEU 56 Cb 1.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2k8c h LEU 56 CO 0.62 0.66 -0.43 0.28 0.09 0.00 0.00 178.44 179.66 2k8c h SER 57 N 0.80 0.00 -0.70 -0.43 0.02 -1.89 -1.78 113.55 109.57 2k8c h SER 57 Ca 0.20 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 2k8c h SER 57 Cb 0.09 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2k8c h SER 57 CO -0.03 0.43 0.26 -0.78 -1.14 0.00 0.00 176.83 175.57 2k8c h ASP 58 N 0.00 0.99 0.19 3.07 3.58 -1.70 -1.72 116.42 120.83 2k8c h ASP 58 Ca -0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.26 2k8c h ASP 58 Cb 0.86 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2k8c h ASP 58 CO 0.06 0.91 -0.08 -1.22 -2.88 0.00 0.00 179.24 176.02 2k8c n TYR 59 N -4.34 0.00 -3.52 0.28 4.01 -0.97 -4.92 117.16 107.69 2k8c n TYR 59 Ca 0.05 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.59 2k8c n TYR 59 Cb 0.19 -0.10 0.08 0.00 -0.31 0.00 0.00 39.34 39.21 2k8c n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k8c n ASN 60 N -0.65 -3.74 -4.69 7.72 2.85 -0.65 -4.94 115.26 111.17 2k8c n ASN 60 Ca 0.17 -0.60 -0.42 0.00 -0.11 0.00 0.00 54.58 53.62 2k8c n ASN 60 Cb 0.28 -5.03 -0.03 0.00 1.24 0.00 0.00 39.78 36.24 2k8c n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2k8c s ILE 61 N -3.35 4.48 0.71 -1.44 1.01 -0.70 -5.03 121.20 116.88 2k8c s ILE 61 Ca 0.24 1.78 -0.11 0.00 0.00 0.00 0.00 60.65 62.56 2k8c s ILE 61 Cb -0.11 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.24 2k8c s ILE 61 CO 0.74 -0.00 1.07 -1.58 0.00 0.00 0.00 174.94 175.16 2k8c s GLN 62 N 2.16 2.78 0.50 2.79 -0.44 -1.26 -4.85 119.66 121.34 2k8c s GLN 62 Ca 0.52 0.81 -0.21 0.00 -2.50 0.00 0.00 55.36 53.99 2k8c s GLN 62 Cb -0.22 -1.98 -0.07 0.00 -1.64 0.00 0.00 33.01 29.10 2k8c s GLN 62 CO 0.20 -1.17 1.11 -1.59 0.50 0.00 0.00 175.29 174.34 2k8c s LYS 63 N -5.11 3.61 -1.35 1.67 -2.85 -1.26 -3.55 119.74 110.89 2k8c s LYS 63 Ca 0.58 1.60 -0.07 0.00 -1.00 0.00 0.00 55.97 57.08 2k8c s LYS 63 Cb -0.14 -2.16 0.02 0.00 -2.06 0.00 0.00 37.83 33.49 2k8c s LYS 63 CO 0.54 -0.64 1.03 0.39 0.10 0.00 0.00 175.35 176.77 2k8c n GLU 64 N -0.94 -6.69 -2.48 1.78 4.71 -1.26 -4.98 120.64 110.79 2k8c n GLU 64 Ca 0.10 0.75 -0.30 0.00 -0.01 0.00 0.00 57.16 57.70 2k8c n GLU 64 Cb 0.50 -5.69 -0.02 0.00 -1.01 0.00 0.00 31.44 25.22 2k8c n GLU 64 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2k8c s SER 65 N -3.72 6.42 -0.48 1.62 1.04 -1.23 -4.82 113.70 112.52 2k8c s SER 65 Ca 0.38 1.25 -0.17 0.00 0.48 0.00 0.00 55.95 57.90 2k8c s SER 65 Cb -0.18 -2.38 0.07 0.00 0.10 0.00 0.00 66.02 63.63 2k8c s SER 65 CO 0.76 -0.59 0.46 -0.89 0.98 0.00 0.00 173.24 173.97 2k8c s THR 66 N -2.69 5.13 0.29 2.02 2.01 -1.26 -1.90 115.64 119.23 2k8c s THR 66 Ca 0.53 -0.91 0.06 0.00 0.31 0.00 0.00 61.69 61.69 2k8c s THR 66 Cb -0.10 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 2k8c s THR 66 CO 0.39 -0.65 0.35 -0.76 -0.69 0.00 0.00 174.62 173.27 2k8c s LEU 67 N 1.92 3.99 -0.05 4.42 1.02 0.11 -4.88 118.68 125.21 2k8c s LEU 67 Ca 0.07 -0.17 0.02 0.00 0.02 0.00 0.00 54.13 54.07 2k8c s LEU 67 Cb -0.23 -2.62 0.02 0.00 0.02 0.00 0.00 46.19 43.38 2k8c s LEU 67 CO 0.08 -0.23 -0.09 -2.28 0.02 0.00 0.00 176.35 173.85 2k8c s HIS 68 N -2.13 1.15 -0.25 0.29 2.46 -1.13 0.17 115.29 115.86 2k8c s HIS 68 Ca 0.39 -0.39 -0.12 0.00 0.47 0.00 0.00 55.06 55.40 2k8c s HIS 68 Cb -0.08 -0.89 -0.05 0.00 -0.13 0.00 0.00 32.58 31.43 2k8c s HIS 68 CO 0.29 -0.23 0.24 -1.17 -2.47 0.00 0.00 174.74 171.40 2k8c s LEU 69 N 0.73 4.09 0.27 8.88 2.96 0.32 -1.64 118.68 134.29 2k8c s LEU 69 Ca -0.13 0.19 0.05 0.00 -0.22 0.00 0.00 54.13 54.01 2k8c s LEU 69 Cb -0.15 -2.23 -0.06 0.00 0.50 0.00 0.00 46.19 44.25 2k8c s LEU 69 CO 0.02 -0.02 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.33 2k8c s VAL 70 N 1.40 1.29 0.00 1.68 1.01 0.05 -3.33 120.40 122.51 2k8c s VAL 70 Ca 0.11 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 60.03 2k8c s VAL 70 Cb -0.15 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2k8c s VAL 70 CO 0.07 -0.23 0.00 0.18 0.00 0.00 0.00 175.10 175.12 2k8c n LEU 71 N -0.55 0.00 -4.06 3.92 4.32 -1.26 -0.70 117.00 118.67 2k8c n LEU 71 Ca -0.04 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.67 2k8c n LEU 71 Cb 0.64 0.00 -0.17 0.00 -1.62 0.00 0.00 43.42 42.28 2k8c n LEU 71 CO 0.39 0.00 -0.49 0.00 -1.22 0.00 0.00 177.39 176.07 2k8c s ARG 72 N 3.44 2.15 0.19 3.23 1.04 -1.26 -4.56 118.95 123.18 2k8c s ARG 72 Ca 0.00 -0.55 -0.04 0.00 -1.04 0.00 0.00 55.73 54.10 2k8c s ARG 72 Cb 0.00 -1.80 0.11 0.00 -2.04 0.00 0.00 34.95 31.23 2k8c s ARG 72 CO 0.00 -0.02 1.52 1.25 -0.04 0.00 0.00 175.30 178.01 2k8c h LEU 73 N 7.25 0.69 -8.83 -1.89 5.85 -2.00 -3.44 115.31 112.95 2k8c h LEU 73 Ca -0.30 -0.34 -0.69 0.00 0.84 0.00 0.00 57.88 57.39 2k8c h LEU 73 Cb 1.18 -0.20 -0.25 0.00 0.37 0.00 0.00 40.66 41.77 2k8c h LEU 73 CO 0.48 1.06 -0.84 -0.13 -0.34 0.00 0.00 178.44 178.67 2k8c s ARG 74 N -4.14 2.00 0.00 1.25 0.52 -1.26 -5.08 118.95 112.24 2k8c s ARG 74 Ca -0.08 -1.01 -0.01 0.00 -0.52 0.00 0.00 55.73 54.11 2k8c s ARG 74 Cb 0.12 -2.10 -0.00 0.00 0.52 0.00 0.00 34.95 33.48 2k8c s ARG 74 CO 0.84 0.54 0.73 0.78 0.02 0.00 0.00 175.30 178.22 2k8c h GLY 75 N 4.81 -0.03 -1.28 -3.53 0.00 -2.05 -3.55 103.07 97.44 2k8c h GLY 75 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2k8c h GLY 75 CO 0.46 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.60