#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8b s GLN 2 N 0.00 3.37 0.27 3.17 0.74 -1.26 -1.32 119.66 124.63 2k8b s GLN 2 Ca 0.00 -0.63 0.11 0.00 0.05 0.00 0.00 55.36 54.89 2k8b s GLN 2 Cb 0.00 -2.69 -0.05 0.00 1.10 0.00 0.00 33.01 31.38 2k8b s GLN 2 CO 0.00 0.28 -0.11 0.96 -0.55 0.00 0.00 175.29 175.87 2k8b s ILE 3 N 0.21 2.92 -0.35 -2.34 -0.00 -0.83 -1.47 121.20 119.34 2k8b s ILE 3 Ca -0.06 -2.19 -0.04 0.00 -0.00 0.00 0.00 60.65 58.36 2k8b s ILE 3 Cb -0.15 -2.54 0.06 0.00 -0.00 0.00 0.00 42.46 39.83 2k8b s ILE 3 CO 0.04 -0.39 0.10 -0.36 -0.00 0.00 0.00 174.94 174.34 2k8b s PHE 4 N -2.43 3.33 -0.31 1.37 0.08 -1.09 -2.92 117.98 116.02 2k8b s PHE 4 Ca 0.31 -1.79 -0.11 0.00 0.12 0.00 0.00 56.93 55.46 2k8b s PHE 4 Cb -0.06 -2.47 -0.02 0.00 -0.57 0.00 0.00 43.02 39.90 2k8b s PHE 4 CO 0.17 -0.82 0.19 0.54 -0.10 0.00 0.00 175.22 175.20 2k8b s VAL 5 N 1.30 4.96 -0.18 -0.44 0.11 -0.78 -1.12 120.40 124.23 2k8b s VAL 5 Ca -0.00 -0.24 -0.21 0.00 -2.93 0.00 0.00 61.98 58.59 2k8b s VAL 5 Cb -0.21 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 2k8b s VAL 5 CO -0.00 0.08 0.62 -0.54 -3.33 0.00 0.00 175.10 171.93 2k8b s LYS 6 N 1.68 4.23 0.73 1.54 1.02 0.58 -0.01 119.74 129.51 2k8b s LYS 6 Ca 0.06 0.62 -0.12 0.00 0.02 0.00 0.00 55.97 56.54 2k8b s LYS 6 Cb -0.17 -3.56 0.17 0.00 -0.52 0.00 0.00 37.83 33.75 2k8b s LYS 6 CO 0.08 -0.20 0.98 0.25 -0.92 0.00 0.00 175.35 175.55 2k8b n THR 7 N 4.57 0.00 -0.06 2.17 -2.24 -0.76 -0.81 114.28 117.16 2k8b n THR 7 Ca -0.02 -0.72 -0.02 0.00 -2.27 0.00 0.00 64.05 61.03 2k8b n THR 7 Cb 0.50 -1.63 0.24 0.00 -2.10 0.00 0.00 70.33 67.34 2k8b n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2k8b h LEU 8 N 0.00 0.62 -1.41 3.22 5.85 -1.88 -2.12 115.31 119.58 2k8b h LEU 8 Ca -0.32 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2k8b h LEU 8 Cb 0.88 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.75 2k8b h LEU 8 CO 0.22 0.67 0.00 1.07 -0.34 0.00 0.00 178.44 180.07 2k8b n THR 9 N -4.26 0.65 -1.30 1.05 5.66 -1.26 -4.86 114.28 109.97 2k8b n THR 9 Ca 0.02 -0.42 -0.09 0.00 -3.05 0.00 0.00 64.05 60.51 2k8b n THR 9 Cb 0.26 -0.10 -0.04 0.00 -1.55 0.00 0.00 70.33 68.89 2k8b n THR 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k8b n GLY 10 N 0.59 1.06 3.45 1.09 0.00 -0.80 -4.98 105.19 105.61 2k8b n GLY 10 Ca 0.09 -0.61 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 2k8b n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8b s LYS 11 N -2.84 3.12 -0.19 1.61 2.20 -1.26 -4.80 119.74 117.58 2k8b s LYS 11 Ca 0.00 -0.88 -0.29 0.00 -0.36 0.00 0.00 55.97 54.44 2k8b s LYS 11 Cb 0.00 -4.08 -0.02 0.00 -1.51 0.00 0.00 37.83 32.22 2k8b s LYS 11 CO 0.00 -1.17 1.41 0.99 -0.36 0.00 0.00 175.35 176.22 2k8b s THR 12 N 2.55 4.01 -0.18 3.43 2.01 -1.26 -1.82 115.64 124.38 2k8b s THR 12 Ca 0.15 1.19 -0.08 0.00 0.31 0.00 0.00 61.69 63.25 2k8b s THR 12 Cb -0.19 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2k8b s THR 12 CO 0.12 -0.25 0.10 -0.63 -0.69 0.00 0.00 174.62 173.27 2k8b s ILE 13 N 4.17 5.12 -0.24 1.82 1.01 0.98 -4.93 121.20 129.13 2k8b s ILE 13 Ca 0.61 0.08 -0.18 0.00 0.00 0.00 0.00 60.65 61.17 2k8b s ILE 13 Cb -0.23 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 2k8b s ILE 13 CO 0.22 0.47 0.49 -0.89 0.00 0.00 0.00 174.94 175.23 2k8b s THR 14 N 0.21 5.10 -0.01 2.92 2.01 -1.26 -1.87 115.64 122.73 2k8b s THR 14 Ca 0.07 0.86 0.04 0.00 0.31 0.00 0.00 61.69 62.97 2k8b s THR 14 Cb -0.12 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 2k8b s THR 14 CO -0.01 0.13 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.69 2k8b s LEU 15 N 2.06 2.01 -0.09 4.42 1.98 -1.15 -5.04 118.68 122.87 2k8b s LEU 15 Ca 0.21 -0.26 0.02 0.00 -2.89 0.00 0.00 54.13 51.22 2k8b s LEU 15 Cb -0.16 -0.73 -0.02 0.00 0.66 0.00 0.00 46.19 45.95 2k8b s LEU 15 CO 0.09 0.17 -0.17 -1.83 -1.89 0.00 0.00 176.35 172.72 2k8b s GLU 16 N -0.29 2.95 0.18 1.98 1.03 -1.26 -1.97 118.70 121.32 2k8b s GLU 16 Ca 0.05 -0.75 -0.13 0.00 0.03 0.00 0.00 54.97 54.17 2k8b s GLU 16 Cb -0.06 -2.44 0.01 0.00 -0.80 0.00 0.00 34.13 30.84 2k8b s GLU 16 CO -0.00 0.36 0.40 0.14 -1.33 0.00 0.00 175.26 174.83 2k8b s VAL 17 N -0.05 0.05 0.22 1.83 -7.23 -0.44 -5.00 120.40 109.78 2k8b s VAL 17 Ca -0.04 -1.07 0.05 0.00 -1.81 0.00 0.00 61.98 59.11 2k8b s VAL 17 Cb -0.14 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 2k8b s VAL 17 CO 0.04 -0.22 0.32 -1.61 -0.31 0.00 0.00 175.10 173.32 2k8b s GLU 18 N -3.92 3.36 0.64 4.82 0.41 -1.26 0.16 118.70 122.91 2k8b s GLU 18 Ca 0.13 -0.77 0.39 0.00 -0.41 0.00 0.00 54.97 54.30 2k8b s GLU 18 Cb 0.01 -2.85 2.17 0.00 -1.78 0.00 0.00 34.13 31.68 2k8b s GLU 18 CO -0.02 0.44 2.30 -1.00 -0.49 0.00 0.00 175.26 176.50 2k8b h PRO 19 N 1.43 0.00 0.00 0.39 0.13 -2.00 0.77 132.00 132.71 2k8b h PRO 19 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2k8b h PRO 19 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k8b h PRO 19 CO 0.62 0.00 -0.28 0.43 -0.23 0.00 0.00 178.00 178.55 2k8b n SER 20 N -3.35 0.72 -4.67 1.44 7.64 -1.26 -4.30 113.62 109.83 2k8b n SER 20 Ca -0.03 0.35 -0.43 0.00 1.01 0.00 0.00 58.87 59.78 2k8b n SER 20 Cb 0.10 -0.35 -0.02 0.00 -1.01 0.00 0.00 64.21 62.93 2k8b n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k8b s ASP 21 N -4.27 6.87 0.50 6.43 1.01 0.26 -5.00 116.67 122.46 2k8b s ASP 21 Ca 0.09 1.93 -0.19 0.00 0.71 0.00 0.00 52.55 55.09 2k8b s ASP 21 Cb 0.13 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.44 2k8b s ASP 21 CO 0.65 -0.77 1.01 -0.89 0.21 0.00 0.00 175.17 175.38 2k8b s THR 22 N 3.26 4.05 0.44 -1.27 2.01 -1.26 -3.94 115.64 118.92 2k8b s THR 22 Ca 0.61 1.17 0.20 0.00 0.31 0.00 0.00 61.69 63.99 2k8b s THR 22 Cb -0.27 -3.52 0.40 0.00 0.01 0.00 0.00 72.50 69.13 2k8b s THR 22 CO 0.22 -0.38 1.84 0.40 -0.69 0.00 0.00 174.62 176.00 2k8b h ILE 23 N 1.33 0.61 -0.80 1.82 1.08 -0.69 0.60 117.51 121.48 2k8b h ILE 23 Ca -0.48 -0.11 0.06 0.00 -0.39 0.00 0.00 64.86 63.93 2k8b h ILE 23 Cb 1.20 0.25 -0.06 0.00 -3.07 0.00 0.00 36.82 35.15 2k8b h ILE 23 CO 0.60 0.06 0.48 1.05 -0.69 0.00 0.00 178.15 179.65 2k8b h GLU 24 N 0.33 0.86 -0.08 2.37 4.11 -1.73 -0.27 114.58 120.17 2k8b h GLU 24 Ca 0.50 -0.05 -0.14 0.00 0.07 0.00 0.00 59.36 59.74 2k8b h GLU 24 Cb 1.37 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2k8b h GLU 24 CO -0.17 0.57 -0.56 -0.97 0.07 0.00 0.00 179.01 177.94 2k8b h ASN 25 N 0.88 0.27 -0.42 3.06 -1.24 -1.21 -2.17 115.58 114.76 2k8b h ASN 25 Ca 0.35 -0.14 -0.03 0.00 0.71 0.00 0.00 56.30 57.19 2k8b h ASN 25 Cb 0.17 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 2k8b h ASN 25 CO -0.17 0.77 0.16 0.58 -1.29 0.00 0.00 177.43 177.48 2k8b h VAL 26 N 0.18 1.20 -0.80 2.57 2.07 -0.89 -0.03 116.25 120.55 2k8b h VAL 26 Ca -0.00 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2k8b h VAL 26 Cb 1.04 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 2k8b h VAL 26 CO 0.09 0.23 0.44 0.11 0.02 0.00 0.00 177.57 178.46 2k8b h LYS 27 N 0.53 1.12 -0.37 1.57 1.57 -0.92 -2.12 116.57 117.95 2k8b h LYS 27 Ca 0.14 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2k8b h LYS 27 Cb 0.21 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2k8b h LYS 27 CO -0.01 0.83 -0.08 0.00 -0.57 0.00 0.00 179.45 179.62 2k8b h ALA 28 N 1.23 1.17 -0.57 3.86 0.00 -1.01 -1.67 119.26 122.27 2k8b h ALA 28 Ca 0.28 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2k8b h ALA 28 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2k8b h ALA 28 CO -0.05 0.53 0.00 -0.22 0.00 0.00 0.00 179.25 179.52 2k8b h LYS 29 N 0.59 1.00 -0.01 0.00 3.64 -0.47 -0.84 116.57 120.48 2k8b h LYS 29 Ca 0.11 -0.32 -0.08 0.00 -1.27 0.00 0.00 60.65 59.10 2k8b h LYS 29 Cb 0.49 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2k8b h LYS 29 CO 0.03 1.00 -0.35 0.82 -2.27 0.00 0.00 179.45 178.67 2k8b h ILE 30 N 0.89 1.26 -0.19 2.00 2.04 -1.11 0.44 117.51 122.84 2k8b h ILE 30 Ca 0.16 -1.23 -0.15 0.00 1.00 0.00 0.00 64.86 64.65 2k8b h ILE 30 Cb 0.54 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2k8b h ILE 30 CO 0.03 0.35 -0.50 -0.61 0.00 0.00 0.00 178.15 177.42 2k8b h GLN 31 N 0.02 0.52 0.20 2.37 4.15 -0.70 0.18 115.11 121.85 2k8b h GLN 31 Ca -0.00 -0.31 -0.31 0.00 0.77 0.00 0.00 58.65 58.80 2k8b h GLN 31 Cb 0.63 0.03 0.03 0.00 0.21 0.00 0.00 27.48 28.38 2k8b h GLN 31 CO 0.05 0.91 -1.37 0.22 -1.93 0.00 0.00 178.83 176.70 2k8b h ASP 32 N 0.41 0.74 0.00 -0.69 3.58 -0.66 -2.21 116.42 117.59 2k8b h ASP 32 Ca 0.02 -0.76 -0.04 0.00 0.42 0.00 0.00 57.03 56.67 2k8b h ASP 32 Cb 1.03 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 2k8b h ASP 32 CO 0.09 1.59 -0.26 0.11 -2.88 0.00 0.00 179.24 177.90 2k8b h LYS 33 N 0.15 0.00 0.07 0.28 1.57 -0.94 -3.41 116.57 114.30 2k8b h LYS 33 Ca -0.21 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.29 2k8b h LYS 33 Cb 2.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.36 2k8b h LYS 33 CO 0.25 0.56 -1.49 0.93 -0.57 0.00 0.00 179.45 179.13 2k8b h GLU 34 N -1.00 0.16 0.00 3.15 4.39 -0.91 -3.49 114.58 116.87 2k8b h GLU 34 Ca -0.05 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2k8b h GLU 34 Cb 0.67 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2k8b h GLU 34 CO -0.03 1.13 0.00 0.41 -1.16 0.00 0.00 179.01 179.35 2k8b n GLY 35 N 1.70 1.24 3.26 -3.84 0.00 -0.35 -5.00 105.19 102.21 2k8b n GLY 35 Ca -0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2k8b n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k8b s ILE 36 N -2.00 3.32 0.32 -0.61 1.01 -1.23 -4.95 121.20 117.06 2k8b s ILE 36 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 2k8b s ILE 36 Cb 0.00 -2.69 -0.12 0.00 0.01 0.00 0.00 42.46 39.66 2k8b s ILE 36 CO 0.00 0.15 1.48 -0.81 0.00 0.00 0.00 174.94 175.77 2k8b n PRO 37 N 4.75 2.50 0.25 2.79 -0.04 -1.26 -3.65 135.00 140.34 2k8b n PRO 37 Ca -0.16 0.88 0.17 0.00 -0.04 0.00 0.00 63.50 64.36 2k8b n PRO 37 Cb 0.47 -2.60 0.84 0.00 -0.04 0.00 0.00 33.50 32.18 2k8b n PRO 37 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2k8b h PRO 38 N 3.74 0.00 0.00 0.54 0.13 -1.91 -1.02 132.00 133.48 2k8b h PRO 38 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k8b h PRO 38 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k8b h PRO 38 CO 0.71 0.00 -0.08 -0.40 -0.23 0.00 0.00 178.00 178.00 2k8b n ASP 39 N -2.72 0.75 -0.05 1.44 5.68 -1.26 -3.12 116.55 117.26 2k8b n ASP 39 Ca -0.01 0.51 0.05 0.00 -0.50 0.00 0.00 54.79 54.84 2k8b n ASP 39 Cb 0.12 -0.66 0.07 0.00 -1.14 0.00 0.00 41.12 39.51 2k8b n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k8b n GLN 40 N -2.19 1.95 -3.63 0.11 6.02 -0.45 -4.92 117.38 114.27 2k8b n GLN 40 Ca 0.05 -1.95 -0.40 0.00 -0.01 0.00 0.00 57.00 54.70 2k8b n GLN 40 Cb 0.42 -1.20 -0.11 0.00 1.02 0.00 0.00 30.24 30.38 2k8b n GLN 40 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2k8b s GLN 41 N -1.81 2.67 -0.41 -1.09 0.74 -0.81 -4.52 119.66 114.43 2k8b s GLN 41 Ca 0.15 -1.28 -0.03 0.00 0.05 0.00 0.00 55.36 54.25 2k8b s GLN 41 Cb 0.13 -3.69 0.11 0.00 1.10 0.00 0.00 33.01 30.66 2k8b s GLN 41 CO 0.01 -0.81 0.20 0.50 -0.55 0.00 0.00 175.29 174.64 2k8b s ARG 42 N 1.46 2.05 -0.39 1.67 3.52 -0.12 -4.92 118.95 122.21 2k8b s ARG 42 Ca 0.02 -1.79 -0.21 0.00 -0.13 0.00 0.00 55.73 53.62 2k8b s ARG 42 Cb -0.21 -3.58 0.01 0.00 -1.56 0.00 0.00 34.95 29.61 2k8b s ARG 42 CO 0.04 -1.06 0.68 -0.51 -0.81 0.00 0.00 175.30 173.64 2k8b s LEU 43 N 1.16 4.28 -0.12 -0.88 1.43 -1.26 -0.63 118.68 122.66 2k8b s LEU 43 Ca 0.07 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.20 2k8b s LEU 43 Cb -0.23 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 2k8b s LEU 43 CO -0.04 -0.69 -0.03 -0.63 0.23 0.00 0.00 176.35 175.19 2k8b s ILE 44 N 2.87 4.04 -0.10 -0.59 1.01 -0.48 -0.38 121.20 127.57 2k8b s ILE 44 Ca 0.26 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.50 2k8b s ILE 44 Cb -0.14 -2.73 0.03 0.00 0.01 0.00 0.00 42.46 39.64 2k8b s ILE 44 CO 0.17 0.55 0.26 0.12 0.00 0.00 0.00 174.94 176.04 2k8b s PHE 45 N -0.29 -0.31 0.00 3.97 5.36 -0.56 -2.42 117.98 123.72 2k8b s PHE 45 Ca 0.05 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 56.77 2k8b s PHE 45 Cb -0.12 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.64 2k8b s PHE 45 CO 0.02 -0.18 0.00 0.00 -1.46 0.00 0.00 175.22 173.60 2k8b n ALA 46 N 3.45 0.00 0.00 11.12 0.00 -1.26 -2.88 120.51 130.94 2k8b n ALA 46 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2k8b n ALA 46 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2k8b n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k8b n GLY 47 N 0.00 0.11 3.82 0.00 0.00 -1.26 -5.15 105.19 102.71 2k8b n GLY 47 Ca 0.00 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2k8b n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8b s LYS 48 N 0.00 2.38 0.12 1.61 3.01 -1.14 -5.11 119.74 120.62 2k8b s LYS 48 Ca 0.00 -1.70 -0.18 0.00 -1.01 0.00 0.00 55.97 53.08 2k8b s LYS 48 Cb 0.00 -2.19 -0.07 0.00 -1.01 0.00 0.00 37.83 34.56 2k8b s LYS 48 CO 0.00 -0.19 0.58 1.14 0.51 0.00 0.00 175.35 177.40 2k8b s GLN 49 N -4.04 4.13 -0.11 1.68 -2.07 -1.26 -1.49 119.66 116.49 2k8b s GLN 49 Ca 0.44 0.67 -0.29 0.00 -1.82 0.00 0.00 55.36 54.36 2k8b s GLN 49 Cb 0.00 -3.08 -0.04 0.00 -1.09 0.00 0.00 33.01 28.80 2k8b s GLN 49 CO 0.25 0.55 1.61 -0.51 -1.32 0.00 0.00 175.29 175.87 2k8b s LEU 50 N -1.53 4.18 0.18 2.60 1.43 0.49 -4.93 118.68 121.10 2k8b s LEU 50 Ca 0.34 2.00 -0.30 0.00 -1.03 0.00 0.00 54.13 55.14 2k8b s LEU 50 Cb -0.18 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 2k8b s LEU 50 CO 0.19 -1.01 1.22 -1.61 0.23 0.00 0.00 176.35 175.37 2k8b s GLU 51 N 4.19 4.46 0.58 1.70 2.02 -1.26 -4.81 118.70 125.58 2k8b s GLU 51 Ca 0.71 1.91 0.31 0.00 0.02 0.00 0.00 54.97 57.93 2k8b s GLU 51 Cb -0.30 -3.23 1.81 0.00 0.10 0.00 0.00 34.13 32.51 2k8b s GLU 51 CO 0.28 -0.13 2.23 0.38 0.02 0.00 0.00 175.26 178.03 2k8b h ASP 52 N 5.33 0.00 -0.23 -0.19 2.03 -1.93 -0.81 116.42 120.62 2k8b h ASP 52 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2k8b h ASP 52 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2k8b h ASP 52 CO 0.75 0.03 0.00 0.61 -1.03 0.00 0.00 179.24 179.60 2k8b n GLY 53 N -1.13 0.25 3.69 7.15 0.00 -1.26 -2.45 105.19 111.44 2k8b n GLY 53 Ca -0.03 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 2k8b n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k8b s ARG 54 N -1.69 2.24 0.53 1.61 1.81 -0.31 -4.96 118.95 118.18 2k8b s ARG 54 Ca 0.24 -1.64 0.06 0.00 -1.72 0.00 0.00 55.73 52.68 2k8b s ARG 54 Cb 0.13 -2.06 0.03 0.00 -0.45 0.00 0.00 34.95 32.60 2k8b s ARG 54 CO 0.18 0.12 0.44 0.95 -0.68 0.00 0.00 175.30 176.31 2k8b s THR 55 N -2.47 1.83 0.19 0.02 -4.23 -1.26 -0.21 115.64 109.51 2k8b s THR 55 Ca 0.36 -1.43 -0.03 0.00 -1.18 0.00 0.00 61.69 59.42 2k8b s THR 55 Cb -0.01 -2.26 -0.07 0.00 1.34 0.00 0.00 72.50 71.50 2k8b s THR 55 CO 0.21 0.00 1.49 -0.07 -0.54 0.00 0.00 174.62 175.71 2k8b h LEU 56 N 0.74 0.59 -1.21 4.79 4.07 -1.75 -2.82 115.31 119.72 2k8b h LEU 56 Ca -0.37 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.26 2k8b h LEU 56 Cb 1.30 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2k8b h LEU 56 CO 0.56 1.05 0.00 0.28 -1.08 0.00 0.00 178.44 179.25 2k8b h SER 57 N 0.40 0.00 -0.53 -0.43 0.02 -1.89 -1.52 113.55 109.60 2k8b h SER 57 Ca -0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2k8b h SER 57 Cb 1.14 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 2k8b h SER 57 CO 0.11 0.00 0.35 0.44 -1.14 0.00 0.00 176.83 176.59 2k8b h ASP 58 N 0.00 0.61 -0.28 3.07 3.32 -1.85 -1.45 116.42 119.84 2k8b h ASP 58 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2k8b h ASP 58 Cb 0.56 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2k8b h ASP 58 CO 0.00 0.44 0.00 -1.22 -1.72 0.00 0.00 179.24 176.74 2k8b n TYR 59 N -4.72 0.36 -3.57 4.55 4.01 -1.17 -4.94 117.16 111.68 2k8b n TYR 59 Ca 0.03 -0.18 -0.20 0.00 -0.16 0.00 0.00 57.90 57.39 2k8b n TYR 59 Cb 0.02 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.11 2k8b n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k8b n ASN 60 N 0.91 -2.30 -4.65 7.72 2.85 -0.55 -4.91 115.26 114.34 2k8b n ASN 60 Ca 0.17 -0.76 -0.43 0.00 -0.11 0.00 0.00 54.58 53.45 2k8b n ASN 60 Cb 0.47 -4.45 -0.02 0.00 1.24 0.00 0.00 39.78 37.02 2k8b n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2k8b s ILE 61 N -3.54 4.23 0.63 -1.44 1.01 -0.59 -5.01 121.20 116.49 2k8b s ILE 61 Ca 0.08 1.47 -0.13 0.00 0.00 0.00 0.00 60.65 62.08 2k8b s ILE 61 Cb -0.02 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 2k8b s ILE 61 CO 0.78 -0.20 1.04 -1.58 0.00 0.00 0.00 174.94 174.98 2k8b s GLN 62 N 3.66 3.33 0.53 2.79 -0.44 -1.26 -4.84 119.66 123.44 2k8b s GLN 62 Ca 0.56 0.95 -0.21 0.00 -2.50 0.00 0.00 55.36 54.16 2k8b s GLN 62 Cb -0.21 -2.04 -0.05 0.00 -1.64 0.00 0.00 33.01 29.07 2k8b s GLN 62 CO 0.17 -0.79 1.25 -1.59 0.50 0.00 0.00 175.29 174.83 2k8b s LYS 63 N -4.74 3.28 -1.21 1.67 -2.85 -1.26 -3.55 119.74 111.07 2k8b s LYS 63 Ca 0.58 1.96 -0.06 0.00 -1.00 0.00 0.00 55.97 57.45 2k8b s LYS 63 Cb -0.13 -2.20 -0.02 0.00 -2.06 0.00 0.00 37.83 33.42 2k8b s LYS 63 CO 0.48 -1.00 0.78 0.39 0.10 0.00 0.00 175.35 176.10 2k8b n GLU 64 N -1.03 -3.55 -3.08 1.78 1.02 -0.54 -4.99 120.64 110.23 2k8b n GLU 64 Ca 0.10 0.64 -0.23 0.00 -0.02 0.00 0.00 57.16 57.66 2k8b n GLU 64 Cb 0.47 -5.09 0.01 0.00 -0.02 0.00 0.00 31.44 26.81 2k8b n GLU 64 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2k8b s SER 65 N -3.95 5.92 -0.92 1.62 1.04 -1.23 -4.83 113.70 111.34 2k8b s SER 65 Ca 0.21 0.27 -0.16 0.00 0.48 0.00 0.00 55.95 56.75 2k8b s SER 65 Cb -0.05 -1.58 0.17 0.00 0.10 0.00 0.00 66.02 64.65 2k8b s SER 65 CO 0.81 -0.62 1.03 -0.89 0.98 0.00 0.00 173.24 174.54 2k8b s THR 66 N -2.49 5.12 0.45 2.02 2.01 -1.26 -2.65 115.64 118.84 2k8b s THR 66 Ca 0.47 -2.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.39 2k8b s THR 66 Cb -0.10 -4.67 -0.02 0.00 0.01 0.00 0.00 72.50 67.72 2k8b s THR 66 CO 0.37 -1.33 0.71 -0.76 -0.69 0.00 0.00 174.62 172.91 2k8b s LEU 67 N 1.53 3.67 -0.06 4.42 1.02 -0.28 -4.85 118.68 124.13 2k8b s LEU 67 Ca 0.28 0.57 0.01 0.00 0.02 0.00 0.00 54.13 55.01 2k8b s LEU 67 Cb -0.07 -3.46 0.02 0.00 0.02 0.00 0.00 46.19 42.71 2k8b s LEU 67 CO -0.09 -0.62 -0.05 -1.00 0.02 0.00 0.00 176.35 174.62 2k8b s HIS 68 N -2.61 0.88 -0.34 0.29 3.76 -1.02 -0.31 115.29 115.94 2k8b s HIS 68 Ca 0.47 -0.29 -0.13 0.00 -0.15 0.00 0.00 55.06 54.96 2k8b s HIS 68 Cb -0.10 -0.79 -0.01 0.00 1.11 0.00 0.00 32.58 32.79 2k8b s HIS 68 CO 0.40 -0.26 0.24 -1.17 -0.85 0.00 0.00 174.74 173.10 2k8b s LEU 69 N 1.18 4.54 0.00 0.89 2.96 0.01 -1.38 118.68 126.87 2k8b s LEU 69 Ca -0.07 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 2k8b s LEU 69 Cb -0.14 -2.12 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 2k8b s LEU 69 CO -0.01 -0.26 0.04 0.52 -1.32 0.00 0.00 176.35 175.32 2k8b n VAL 70 N 5.09 0.00 -3.29 1.68 0.31 0.19 -3.30 118.33 119.02 2k8b n VAL 70 Ca -0.13 -2.24 0.00 0.00 -0.01 0.00 0.00 64.34 61.96 2k8b n VAL 70 Cb 0.49 0.55 0.00 0.00 -0.91 0.00 0.00 33.84 33.97 2k8b n VAL 70 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2k8b n LEU 71 N 0.00 0.00 -4.84 7.52 4.32 -1.26 -0.95 117.00 121.79 2k8b n LEU 71 Ca -0.16 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.54 2k8b n LEU 71 Cb 0.59 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.34 2k8b n LEU 71 CO 0.32 -0.02 -0.20 0.00 -1.22 0.00 0.00 177.39 176.26 2k8b s ARG 72 N -0.06 3.10 -0.12 3.23 1.70 -1.26 -4.73 118.95 120.82 2k8b s ARG 72 Ca 0.00 -0.65 0.02 0.00 -0.47 0.00 0.00 55.73 54.63 2k8b s ARG 72 Cb 0.00 -2.82 -0.24 0.00 -0.57 0.00 0.00 34.95 31.32 2k8b s ARG 72 CO 0.00 0.55 0.36 -0.11 -1.08 0.00 0.00 175.30 175.02 2k8b n LEU 73 N 0.10 1.91 0.00 -1.89 7.94 -1.26 -5.01 117.00 118.80 2k8b n LEU 73 Ca -0.07 0.21 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 2k8b n LEU 73 Cb 0.52 -0.56 0.00 0.00 0.53 0.00 0.00 43.42 43.92 2k8b n LEU 73 CO 0.47 0.69 0.00 0.54 -1.11 0.00 0.00 177.39 177.98 2k8b n ARG 74 N -3.26 0.99 0.00 1.96 1.74 -1.26 -5.13 116.66 111.70 2k8b n ARG 74 Ca -0.29 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.79 2k8b n ARG 74 Cb 1.05 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.49 2k8b n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k8b n GLY 75 N 2.43 -0.18 0.39 -0.13 0.00 -1.26 -5.18 105.19 101.26 2k8b n GLY 75 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2k8b n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93