#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 1.09 0.25 3.17 0.74 -1.26 -1.21 119.66 122.43 2k8c s GLN 2 Ca 0.00 -0.15 0.07 0.00 0.05 0.00 0.00 55.36 55.33 2k8c s GLN 2 Cb 0.00 -1.42 -0.04 0.00 1.10 0.00 0.00 33.01 32.65 2k8c s GLN 2 CO 0.00 -0.33 0.17 0.96 -0.55 0.00 0.00 175.29 175.55 2k8c s ILE 3 N 1.82 4.36 -0.24 -2.34 -0.00 -0.22 -4.53 121.20 120.04 2k8c s ILE 3 Ca 0.04 -1.43 -0.02 0.00 -0.00 0.00 0.00 60.65 59.24 2k8c s ILE 3 Cb -0.13 -3.34 0.02 0.00 -0.00 0.00 0.00 42.46 39.01 2k8c s ILE 3 CO -0.07 -0.33 -0.06 -0.36 -0.00 0.00 0.00 174.94 174.11 2k8c s PHE 4 N -2.12 3.02 -0.14 1.37 0.40 -1.06 -1.53 117.98 117.92 2k8c s PHE 4 Ca 0.33 -1.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.27 2k8c s PHE 4 Cb -0.08 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 2k8c s PHE 4 CO 0.24 -0.69 -0.15 0.54 0.70 0.00 0.00 175.22 175.87 2k8c s VAL 5 N 1.37 2.83 -0.22 -0.44 0.11 0.12 -1.27 120.40 122.90 2k8c s VAL 5 Ca 0.02 -0.73 -0.08 0.00 -2.93 0.00 0.00 61.98 58.26 2k8c s VAL 5 Cb -0.16 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.47 2k8c s VAL 5 CO -0.05 0.52 0.09 -0.75 -3.33 0.00 0.00 175.10 171.59 2k8c s LYS 6 N 0.54 3.88 0.74 1.54 2.20 0.57 -0.06 119.74 129.15 2k8c s LYS 6 Ca -0.09 -0.37 -0.11 0.00 -0.36 0.00 0.00 55.97 55.03 2k8c s LYS 6 Cb -0.16 -3.35 0.03 0.00 -1.51 0.00 0.00 37.83 32.84 2k8c s LYS 6 CO 0.04 0.03 1.08 0.99 -0.36 0.00 0.00 175.35 177.13 2k8c s THR 7 N 1.05 3.62 0.56 3.43 2.01 0.83 -0.05 115.64 127.10 2k8c s THR 7 Ca 0.05 0.53 0.26 0.00 0.31 0.00 0.00 61.69 62.84 2k8c s THR 7 Cb -0.14 -3.28 0.36 0.00 0.01 0.00 0.00 72.50 69.46 2k8c s THR 7 CO 0.04 -0.69 2.06 0.25 -0.69 0.00 0.00 174.62 175.59 2k8c h LEU 8 N -0.87 0.00 -0.42 4.42 5.85 -1.70 0.13 115.31 122.72 2k8c h LEU 8 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2k8c h LEU 8 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2k8c h LEU 8 CO 0.58 0.00 0.00 1.07 -0.34 0.00 0.00 178.44 179.75 2k8c n THR 9 N -4.05 0.13 -2.50 1.05 5.66 -1.26 -4.86 114.28 108.45 2k8c n THR 9 Ca 0.04 -0.15 -0.04 0.00 -3.05 0.00 0.00 64.05 60.86 2k8c n THR 9 Cb 0.40 0.03 0.01 0.00 -1.55 0.00 0.00 70.33 69.22 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 0.77 0.58 3.43 1.09 0.00 0.46 -5.03 105.19 106.49 2k8c n GLY 10 Ca 0.08 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.91 3.54 -0.50 1.61 2.20 -1.21 -4.88 119.74 115.59 2k8c s LYS 11 Ca 0.07 -0.55 -0.24 0.00 -0.36 0.00 0.00 55.97 54.88 2k8c s LYS 11 Cb -0.03 -3.35 0.03 0.00 -1.51 0.00 0.00 37.83 32.98 2k8c s LYS 11 CO 0.08 -0.25 0.87 0.99 -0.36 0.00 0.00 175.35 176.68 2k8c s THR 12 N 1.60 4.52 -0.12 3.43 2.01 -1.26 -0.12 115.64 125.69 2k8c s THR 12 Ca 0.06 0.37 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 2k8c s THR 12 Cb -0.16 -4.43 -0.03 0.00 0.01 0.00 0.00 72.50 67.89 2k8c s THR 12 CO 0.04 -0.91 -0.01 -0.63 -0.69 0.00 0.00 174.62 172.41 2k8c s ILE 13 N 3.62 4.17 -0.20 1.82 1.01 0.91 -4.96 121.20 127.57 2k8c s ILE 13 Ca 0.31 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 2k8c s ILE 13 Cb -0.12 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 2k8c s ILE 13 CO 0.21 0.55 0.10 -0.89 0.00 0.00 0.00 174.94 174.91 2k8c s THR 14 N -0.28 5.04 -0.04 2.92 2.01 -1.26 -0.70 115.64 123.32 2k8c s THR 14 Ca 0.06 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.17 2k8c s THR 14 Cb -0.12 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 2k8c s THR 14 CO 0.02 0.44 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.96 2k8c s LEU 15 N 0.48 2.00 -0.19 4.42 1.98 -0.58 -5.00 118.68 121.79 2k8c s LEU 15 Ca 0.05 -0.42 -0.03 0.00 -2.89 0.00 0.00 54.13 50.84 2k8c s LEU 15 Cb -0.12 -1.15 -0.01 0.00 0.66 0.00 0.00 46.19 45.56 2k8c s LEU 15 CO 0.00 0.22 -0.05 -1.83 -1.89 0.00 0.00 176.35 172.79 2k8c s GLU 16 N -0.18 3.44 0.17 1.98 1.03 -1.26 -1.06 118.70 122.83 2k8c s GLU 16 Ca -0.01 -0.61 -0.15 0.00 0.03 0.00 0.00 54.97 54.23 2k8c s GLU 16 Cb -0.11 -2.94 0.02 0.00 -0.80 0.00 0.00 34.13 30.30 2k8c s GLU 16 CO 0.02 -0.05 0.43 0.14 -1.33 0.00 0.00 175.26 174.48 2k8c s VAL 17 N 1.08 0.05 0.23 1.83 -7.23 -0.35 -4.99 120.40 111.02 2k8c s VAL 17 Ca 0.01 -0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 59.26 2k8c s VAL 17 Cb -0.15 -1.52 -0.06 0.00 0.56 0.00 0.00 36.38 35.22 2k8c s VAL 17 CO -0.00 -0.22 0.48 -1.61 -0.31 0.00 0.00 175.10 173.44 2k8c s GLU 18 N -3.88 3.64 0.64 4.82 0.41 -1.26 0.26 118.70 123.33 2k8c s GLU 18 Ca 0.09 -0.02 0.38 0.00 -0.41 0.00 0.00 54.97 55.01 2k8c s GLU 18 Cb 0.01 -2.73 2.12 0.00 -1.78 0.00 0.00 34.13 31.75 2k8c s GLU 18 CO -0.05 0.33 2.28 -1.00 -0.49 0.00 0.00 175.26 176.33 2k8c h PRO 19 N 2.18 0.00 0.00 0.39 0.13 -1.98 0.10 132.00 132.83 2k8c h PRO 19 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k8c h PRO 19 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k8c h PRO 19 CO 0.69 0.00 -0.17 -1.13 -0.23 0.00 0.00 178.00 177.16 2k8c n SER 20 N -3.35 0.21 -4.72 1.44 3.41 -1.26 -3.49 113.62 105.85 2k8c n SER 20 Ca -0.02 0.27 -0.41 0.00 -0.26 0.00 0.00 58.87 58.44 2k8c n SER 20 Cb 0.13 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 63.77 2k8c n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k8c s ASP 21 N -3.10 7.44 0.63 4.04 1.01 0.36 -4.96 116.67 122.09 2k8c s ASP 21 Ca 0.13 1.73 -0.13 0.00 0.71 0.00 0.00 52.55 54.98 2k8c s ASP 21 Cb 0.18 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 2k8c s ASP 21 CO 0.59 -0.11 1.05 0.42 0.21 0.00 0.00 175.17 177.33 2k8c s THR 22 N 0.26 4.04 0.39 -1.27 -4.23 -1.26 -3.61 115.64 109.96 2k8c s THR 22 Ca 0.48 0.81 0.13 0.00 -1.18 0.00 0.00 61.69 61.92 2k8c s THR 22 Cb -0.22 -3.45 0.35 0.00 1.34 0.00 0.00 72.50 70.51 2k8c s THR 22 CO 0.29 -0.72 1.88 0.40 -0.54 0.00 0.00 174.62 175.92 2k8c h ILE 23 N -0.08 0.78 -0.94 2.99 1.08 -0.84 -0.58 117.51 119.92 2k8c h ILE 23 Ca -0.45 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 63.90 2k8c h ILE 23 Cb 1.21 0.20 -0.06 0.00 -3.07 0.00 0.00 36.82 35.09 2k8c h ILE 23 CO 0.58 0.10 0.61 1.05 -0.69 0.00 0.00 178.15 179.80 2k8c h GLU 24 N 0.54 1.06 -0.27 2.37 4.11 -1.82 -0.00 114.58 120.56 2k8c h GLU 24 Ca 0.43 -0.06 -0.14 0.00 0.07 0.00 0.00 59.36 59.66 2k8c h GLU 24 Cb 0.87 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2k8c h GLU 24 CO -0.18 0.70 -0.41 -0.97 0.07 0.00 0.00 179.01 178.22 2k8c h ASN 25 N 1.09 0.69 -0.59 3.06 -1.24 -1.45 -1.27 115.58 115.87 2k8c h ASN 25 Ca 0.40 -0.31 -0.05 0.00 0.71 0.00 0.00 56.30 57.05 2k8c h ASN 25 Cb 0.17 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 2k8c h ASN 25 CO -0.15 1.01 0.16 0.58 -1.29 0.00 0.00 177.43 177.74 2k8c h VAL 26 N 0.53 1.25 -0.66 2.57 2.07 -1.07 -1.26 116.25 119.67 2k8c h VAL 26 Ca 0.04 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 2k8c h VAL 26 Cb 0.93 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2k8c h VAL 26 CO 0.08 0.33 0.18 0.11 0.02 0.00 0.00 177.57 178.29 2k8c h LYS 27 N 0.84 1.05 -0.30 1.57 1.57 -0.82 -2.11 116.57 118.38 2k8c h LYS 27 Ca 0.19 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2k8c h LYS 27 Cb 0.33 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2k8c h LYS 27 CO -0.00 0.93 -0.02 0.00 -0.57 0.00 0.00 179.45 179.79 2k8c h ALA 28 N 1.07 1.42 -0.41 3.86 0.00 -0.92 -1.49 119.26 122.78 2k8c h ALA 28 Ca 0.21 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2k8c h ALA 28 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2k8c h ALA 28 CO -0.00 0.41 -0.04 0.87 0.00 0.00 0.00 179.25 180.49 2k8c h LYS 29 N 0.44 0.76 -0.14 0.00 1.57 -0.71 -1.91 116.57 116.58 2k8c h LYS 29 Ca 0.09 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 2k8c h LYS 29 Cb 0.32 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2k8c h LYS 29 CO 0.01 0.86 -0.17 0.82 -0.57 0.00 0.00 179.45 180.40 2k8c h ILE 30 N 0.58 1.19 -0.13 1.86 2.04 -0.96 -0.72 117.51 121.38 2k8c h ILE 30 Ca 0.11 -0.88 -0.10 0.00 1.00 0.00 0.00 64.86 65.00 2k8c h ILE 30 Cb 0.55 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2k8c h ILE 30 CO 0.03 0.27 -0.35 -0.61 0.00 0.00 0.00 178.15 177.49 2k8c h GLN 31 N 0.21 0.26 0.00 2.37 4.15 -0.92 0.20 115.11 121.39 2k8c h GLN 31 Ca 0.04 -0.11 -0.17 0.00 0.77 0.00 0.00 58.65 59.18 2k8c h GLN 31 Cb 0.43 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 2k8c h GLN 31 CO 0.03 0.58 -0.90 0.22 -1.93 0.00 0.00 178.83 176.82 2k8c h ASP 32 N 0.23 0.00 0.00 -0.69 1.82 -0.55 -2.24 116.42 114.99 2k8c h ASP 32 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2k8c h ASP 32 Cb 0.72 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.73 2k8c h ASP 32 CO 0.05 0.77 -0.48 0.11 -1.61 0.00 0.00 179.24 178.08 2k8c h LYS 33 N 0.00 0.00 0.05 0.28 1.57 -0.93 -3.42 116.57 114.12 2k8c h LYS 33 Ca -0.04 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.43 2k8c h LYS 33 Cb 1.62 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.90 2k8c h LYS 33 CO 0.09 0.00 -1.69 0.93 -0.57 0.00 0.00 179.45 178.22 2k8c h GLU 34 N -0.98 0.11 0.00 3.15 4.39 -0.82 -3.49 114.58 116.94 2k8c h GLU 34 Ca 0.00 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2k8c h GLU 34 Cb 0.48 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2k8c h GLU 34 CO 0.00 0.81 0.00 0.41 -1.16 0.00 0.00 179.01 179.07 2k8c n GLY 35 N 1.66 1.10 3.56 -3.84 0.00 -0.84 -5.01 105.19 101.82 2k8c n GLY 35 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 5.02 0.55 -0.61 1.01 -1.24 -4.92 121.20 119.01 2k8c s ILE 36 Ca 0.00 0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.84 2k8c s ILE 36 Cb 0.00 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 2k8c s ILE 36 CO 0.00 -0.19 1.03 -2.65 0.00 0.00 0.00 174.94 173.13 2k8c n PRO 37 N 5.73 1.13 0.26 2.79 -0.02 -1.26 -3.40 135.00 140.23 2k8c n PRO 37 Ca -0.05 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 2k8c n PRO 37 Cb 0.49 -2.20 0.73 0.00 -0.02 0.00 0.00 33.50 32.49 2k8c n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2k8c h PRO 38 N 0.88 0.00 0.00 0.52 0.13 -1.94 -2.49 132.00 129.10 2k8c h PRO 38 Ca -0.48 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 2k8c h PRO 38 Cb 1.35 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 2k8c h PRO 38 CO 0.53 0.12 -0.85 0.38 -0.23 0.00 0.00 178.00 177.95 2k8c h ASP 39 N 0.00 0.00 -0.50 1.44 3.04 -1.98 -3.17 116.42 115.26 2k8c h ASP 39 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k8c h ASP 39 Cb 0.33 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.62 2k8c h ASP 39 CO 0.01 0.85 0.00 0.00 -2.04 0.00 0.00 179.24 178.06 2k8c n GLN 40 N -3.36 4.30 -3.62 4.15 6.02 -0.99 -4.84 117.38 119.03 2k8c n GLN 40 Ca 0.00 -3.06 -0.40 0.00 -0.01 0.00 0.00 57.00 53.54 2k8c n GLN 40 Cb 0.86 -2.13 -0.10 0.00 1.02 0.00 0.00 30.24 29.89 2k8c n GLN 40 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2k8c s GLN 41 N -2.71 2.54 -0.57 -1.09 0.74 -0.97 -4.52 119.66 113.09 2k8c s GLN 41 Ca 0.51 -1.50 -0.14 0.00 0.05 0.00 0.00 55.36 54.28 2k8c s GLN 41 Cb 0.39 -3.76 0.14 0.00 1.10 0.00 0.00 33.01 30.88 2k8c s GLN 41 CO 0.15 -0.97 0.50 0.50 -0.55 0.00 0.00 175.29 174.92 2k8c s ARG 42 N 1.39 2.95 -0.48 1.67 3.52 -0.20 -4.98 118.95 122.82 2k8c s ARG 42 Ca 0.03 -1.85 -0.19 0.00 -0.13 0.00 0.00 55.73 53.59 2k8c s ARG 42 Cb -0.23 -4.22 0.05 0.00 -1.56 0.00 0.00 34.95 28.99 2k8c s ARG 42 CO 0.01 -1.29 0.56 -0.51 -0.81 0.00 0.00 175.30 173.27 2k8c s LEU 43 N 1.29 4.95 -0.16 -0.88 1.43 -1.26 -0.52 118.68 123.53 2k8c s LEU 43 Ca 0.06 -0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 52.28 2k8c s LEU 43 Cb -0.26 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 2k8c s LEU 43 CO 0.00 -0.78 -0.01 -0.63 0.23 0.00 0.00 176.35 175.16 2k8c s ILE 44 N 2.44 4.15 -0.10 -0.59 1.01 -0.71 -0.55 121.20 126.86 2k8c s ILE 44 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.53 2k8c s ILE 44 Cb -0.19 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.47 2k8c s ILE 44 CO 0.13 0.49 -0.08 0.12 0.00 0.00 0.00 174.94 175.59 2k8c s PHE 45 N 0.34 1.45 -1.81 3.97 5.36 0.49 -2.32 117.98 125.46 2k8c s PHE 45 Ca -0.02 -0.67 0.00 0.00 -0.96 0.00 0.00 56.93 55.28 2k8c s PHE 45 Cb -0.14 -1.17 0.00 0.00 -0.34 0.00 0.00 43.02 41.37 2k8c s PHE 45 CO 0.02 -0.45 0.00 0.00 -1.46 0.00 0.00 175.22 173.33 2k8c n ALA 46 N 4.66 -0.26 0.00 11.12 0.00 -1.26 -1.34 120.51 133.43 2k8c n ALA 46 Ca -0.15 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2k8c n ALA 46 Cb 0.50 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -0.50 2.07 3.58 0.00 0.00 -1.26 -5.06 105.19 104.02 2k8c n GLY 47 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2k8c n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8c s LYS 48 N -0.88 3.86 0.10 1.61 2.47 -0.45 -5.07 119.74 121.38 2k8c s LYS 48 Ca 0.00 -0.41 -0.30 0.00 -1.56 0.00 0.00 55.97 53.70 2k8c s LYS 48 Cb 0.00 -3.12 -0.06 0.00 -1.46 0.00 0.00 37.83 33.18 2k8c s LYS 48 CO 0.00 0.24 1.12 1.14 0.16 0.00 0.00 175.35 178.01 2k8c s GLN 49 N 0.44 4.52 0.06 4.03 -2.07 -1.26 -0.38 119.66 125.00 2k8c s GLN 49 Ca 0.01 1.69 -0.31 0.00 -1.82 0.00 0.00 55.36 54.94 2k8c s GLN 49 Cb -0.13 -3.33 -0.07 0.00 -1.09 0.00 0.00 33.01 28.39 2k8c s GLN 49 CO 0.01 -0.08 1.39 -0.51 -1.32 0.00 0.00 175.29 174.79 2k8c s LEU 50 N 0.41 4.35 0.37 2.60 1.43 0.29 -4.93 118.68 123.20 2k8c s LEU 50 Ca 0.53 2.23 -0.13 0.00 -1.03 0.00 0.00 54.13 55.73 2k8c s LEU 50 Cb -0.28 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.29 2k8c s LEU 50 CO 0.32 -0.67 0.76 -1.61 0.23 0.00 0.00 176.35 175.37 2k8c s GLU 51 N 1.66 3.88 0.16 1.70 2.02 -1.26 -4.82 118.70 122.05 2k8c s GLU 51 Ca 0.64 0.58 -0.14 0.00 0.02 0.00 0.00 54.97 56.07 2k8c s GLU 51 Cb -0.34 -2.40 0.05 0.00 0.10 0.00 0.00 34.13 31.54 2k8c s GLU 51 CO 0.29 0.04 1.78 0.38 0.02 0.00 0.00 175.26 177.77 2k8c h ASP 52 N 1.69 0.64 -0.43 -0.19 3.04 -1.95 -3.13 116.42 116.09 2k8c h ASP 52 Ca -0.47 -0.08 -0.49 0.00 -3.24 0.00 0.00 57.03 52.74 2k8c h ASP 52 Cb 1.18 -0.16 -0.07 0.00 -1.04 0.00 0.00 39.33 39.24 2k8c h ASP 52 CO 0.64 0.53 1.52 0.61 -2.04 0.00 0.00 179.24 180.51 2k8c n GLY 53 N -1.06 4.05 3.10 7.15 0.00 -1.26 -3.49 105.19 113.68 2k8c n GLY 53 Ca 0.02 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 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 0.39 0.52 0.26 1.61 1.81 -1.18 -5.04 118.95 117.32 2k8c s ARG 54 Ca 0.64 -0.58 0.08 0.00 -1.72 0.00 0.00 55.73 54.14 2k8c s ARG 54 Cb 0.27 0.21 -0.04 0.00 -0.45 0.00 0.00 34.95 34.94 2k8c s ARG 54 CO -0.08 -0.13 0.16 0.95 -0.68 0.00 0.00 175.30 175.53 2k8c s THR 55 N -1.96 4.12 0.38 0.02 -4.23 -1.26 -0.42 115.64 112.30 2k8c s THR 55 Ca -0.10 -1.51 0.06 0.00 -1.18 0.00 0.00 61.69 58.95 2k8c s THR 55 Cb -0.05 -3.26 0.23 0.00 1.34 0.00 0.00 72.50 70.76 2k8c s THR 55 CO -0.01 -0.34 1.99 -0.07 -0.54 0.00 0.00 174.62 175.65 2k8c h LEU 56 N 1.55 0.49 -1.09 4.79 3.38 -1.62 -1.47 115.31 121.34 2k8c h LEU 56 Ca -0.47 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 2k8c h LEU 56 Cb 1.24 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2k8c h LEU 56 CO 0.60 0.43 -0.06 0.28 0.09 0.00 0.00 178.44 179.78 2k8c h SER 57 N 0.55 0.00 0.22 -0.43 0.02 -1.87 -2.18 113.55 109.86 2k8c h SER 57 Ca 0.14 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.94 2k8c h SER 57 Cb 0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2k8c h SER 57 CO -0.02 0.06 -0.57 -0.78 -1.14 0.00 0.00 176.83 174.38 2k8c h ASP 58 N 0.00 0.41 -0.40 3.07 3.58 -1.60 -2.76 116.42 118.72 2k8c h ASP 58 Ca -0.00 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2k8c h ASP 58 Cb 0.67 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2k8c h ASP 58 CO 0.01 0.89 0.00 -1.22 -2.88 0.00 0.00 179.24 176.03 2k8c n TYR 59 N -3.92 0.53 -3.65 0.28 4.01 -1.16 -4.92 117.16 108.33 2k8c n TYR 59 Ca -0.03 -0.27 -0.24 0.00 -0.16 0.00 0.00 57.90 57.21 2k8c n TYR 59 Cb 0.60 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.69 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 0.81 -4.70 -4.65 7.72 2.85 -1.04 -4.92 115.26 111.33 2k8c n ASN 60 Ca 0.16 -0.64 -0.43 0.00 -0.11 0.00 0.00 54.58 53.56 2k8c n ASN 60 Cb 0.40 -4.68 -0.02 0.00 1.24 0.00 0.00 39.78 36.71 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 -3.36 4.43 0.03 -1.44 1.01 -0.83 -5.01 121.20 116.03 2k8c s ILE 61 Ca 0.44 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.79 2k8c s ILE 61 Cb -0.20 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.09 2k8c s ILE 61 CO 0.76 -0.25 0.03 0.00 0.00 0.00 0.00 174.94 175.48 2k8c n GLN 62 N 6.65 1.41 -1.14 2.79 6.02 -1.26 -4.79 117.38 127.06 2k8c n GLN 62 Ca 0.13 -0.20 -0.31 0.00 -0.01 0.00 0.00 57.00 56.61 2k8c n GLN 62 Cb 0.46 0.02 0.12 0.00 1.02 0.00 0.00 30.24 31.86 2k8c n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2k8c s LYS 63 N -2.14 1.74 -1.53 -1.09 -2.85 -1.26 -3.45 119.74 109.16 2k8c s LYS 63 Ca 0.02 1.14 0.00 0.00 -1.00 0.00 0.00 55.97 56.13 2k8c s LYS 63 Cb -0.00 -1.84 0.00 0.00 -2.06 0.00 0.00 37.83 33.93 2k8c s LYS 63 CO 0.01 -2.00 0.00 0.39 0.10 0.00 0.00 175.35 173.85 2k8c n GLU 64 N -3.76 -1.88 -2.10 1.78 4.71 -1.26 -4.91 120.64 113.22 2k8c n GLU 64 Ca 0.09 0.86 -0.42 0.00 -0.01 0.00 0.00 57.16 57.68 2k8c n GLU 64 Cb 0.53 -5.50 -0.03 0.00 -1.01 0.00 0.00 31.44 25.43 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 -2.05 6.75 -0.52 1.62 1.04 -1.22 -4.93 113.70 114.38 2k8c s SER 65 Ca 0.00 2.40 -0.14 0.00 0.48 0.00 0.00 55.95 58.70 2k8c s SER 65 Cb 0.00 -2.59 0.12 0.00 0.10 0.00 0.00 66.02 63.66 2k8c s SER 65 CO 0.00 -0.71 0.45 -0.89 0.98 0.00 0.00 173.24 173.07 2k8c s THR 66 N 1.23 4.92 0.17 2.02 2.01 -1.26 -2.57 115.64 122.16 2k8c s THR 66 Ca 0.66 -1.56 0.04 0.00 0.31 0.00 0.00 61.69 61.15 2k8c s THR 66 Cb -0.39 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 67.92 2k8c s THR 66 CO 0.30 -0.83 0.20 -0.76 -0.69 0.00 0.00 174.62 172.85 2k8c s LEU 67 N 1.53 4.00 -0.15 4.42 1.02 -0.39 -4.75 118.68 124.36 2k8c s LEU 67 Ca 0.04 -0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.17 2k8c s LEU 67 Cb -0.29 -2.59 0.01 0.00 0.02 0.00 0.00 46.19 43.35 2k8c s LEU 67 CO 0.02 0.05 -0.21 -1.00 0.02 0.00 0.00 176.35 175.22 2k8c s HIS 68 N -1.80 2.69 -0.40 0.29 3.76 -0.98 -0.31 115.29 118.54 2k8c s HIS 68 Ca 0.32 -1.36 -0.14 0.00 -0.15 0.00 0.00 55.06 53.73 2k8c s HIS 68 Cb -0.10 -1.83 0.02 0.00 1.11 0.00 0.00 32.58 31.77 2k8c s HIS 68 CO 0.25 -0.63 0.28 -1.17 -0.85 0.00 0.00 174.74 172.63 2k8c s LEU 69 N 0.87 4.98 0.43 0.89 2.96 0.93 -1.74 118.68 128.01 2k8c s LEU 69 Ca -0.05 -0.85 0.07 0.00 -0.22 0.00 0.00 54.13 53.08 2k8c s LEU 69 Cb -0.15 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 2k8c s LEU 69 CO -0.03 -0.41 0.23 -0.69 -1.32 0.00 0.00 176.35 174.12 2k8c s VAL 70 N 1.67 2.26 0.00 1.68 1.01 0.33 -1.84 120.40 125.51 2k8c s VAL 70 Ca 0.05 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.40 2k8c s VAL 70 Cb -0.19 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2k8c s VAL 70 CO 0.10 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.38 2k8c n LEU 71 N -1.34 0.00 -3.49 3.92 4.77 -1.26 -1.04 117.00 118.56 2k8c n LEU 71 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 2k8c n LEU 71 Cb 0.64 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 2k8c n LEU 71 CO 0.44 0.00 0.56 0.00 -1.33 0.00 0.00 177.39 177.06 2k8c s ARG 72 N 0.57 0.98 -0.26 3.23 1.70 -1.26 -3.87 118.95 120.04 2k8c s ARG 72 Ca 0.00 -0.16 -0.12 0.00 -0.47 0.00 0.00 55.73 54.97 2k8c s ARG 72 Cb 0.00 0.46 -0.14 0.00 -0.57 0.00 0.00 34.95 34.70 2k8c s ARG 72 CO 0.00 -0.39 -0.25 -0.11 -1.08 0.00 0.00 175.30 173.47 2k8c n LEU 73 N 0.11 2.12 -4.77 -1.89 7.94 -1.26 -5.03 117.00 114.23 2k8c n LEU 73 Ca -0.14 0.27 -0.28 0.00 -1.11 0.00 0.00 56.01 54.76 2k8c n LEU 73 Cb 0.61 -0.86 -0.06 0.00 0.53 0.00 0.00 43.42 43.64 2k8c n LEU 73 CO 0.15 0.61 -0.15 -0.13 -1.11 0.00 0.00 177.39 176.75 2k8c s ARG 74 N -2.50 2.19 -0.10 1.96 1.81 -1.26 -5.05 118.95 116.00 2k8c s ARG 74 Ca -0.37 -2.07 0.14 0.00 -1.72 0.00 0.00 55.73 51.71 2k8c s ARG 74 Cb 0.13 -1.85 0.26 0.00 -0.45 0.00 0.00 34.95 33.04 2k8c s ARG 74 CO 0.53 -0.29 1.13 0.41 -0.68 0.00 0.00 175.30 176.40 2k8c n GLY 75 N -1.33 3.62 0.00 -3.53 0.00 -1.26 -5.19 105.19 97.50 2k8c n GLY 75 Ca -0.07 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2k8c n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93