#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xew s GLN 2 N 0.00 3.82 0.22 3.17 0.74 -1.26 0.22 119.66 126.56 2xew s GLN 2 Ca 0.00 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.15 2xew s GLN 2 Cb 0.00 -3.23 -0.05 0.00 1.10 0.00 0.00 33.01 30.84 2xew s GLN 2 CO 0.00 0.44 0.10 0.96 -0.55 0.00 0.00 175.29 176.24 2xew s ILE 3 N -0.09 0.30 0.08 -2.34 -4.36 -0.60 0.16 121.20 114.35 2xew s ILE 3 Ca 0.08 -1.99 0.10 0.00 -0.26 0.00 0.00 60.65 58.58 2xew s ILE 3 Cb -0.12 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 2xew s ILE 3 CO 0.01 -0.07 -0.25 -0.36 0.24 0.00 0.00 174.94 174.51 2xew s PHE 4 N -3.94 2.21 -0.19 1.37 0.40 0.71 -1.70 117.98 116.85 2xew s PHE 4 Ca 0.36 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 2xew s PHE 4 Cb 0.07 -1.27 0.04 0.00 0.51 0.00 0.00 43.02 42.37 2xew s PHE 4 CO 0.11 0.20 -0.12 0.08 0.70 0.00 0.00 175.22 176.19 2xew s VAL 5 N -0.91 1.69 -0.09 -0.44 1.01 -0.35 0.77 120.40 122.07 2xew s VAL 5 Ca 0.12 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2xew s VAL 5 Cb -0.10 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 2xew s VAL 5 CO 0.03 0.27 -0.03 -0.54 0.00 0.00 0.00 175.10 174.83 2xew s LYS 6 N 1.39 3.03 0.64 2.72 -0.14 0.44 -0.55 119.74 127.27 2xew s LYS 6 Ca 0.00 -0.48 -0.07 0.00 -1.36 0.00 0.00 55.97 54.06 2xew s LYS 6 Cb -0.15 -2.74 0.02 0.00 -1.68 0.00 0.00 37.83 33.28 2xew s LYS 6 CO -0.09 0.60 0.97 0.95 -0.76 0.00 0.00 175.35 177.02 2xew s THR 7 N -0.62 3.26 -1.42 2.17 -4.23 -0.58 -0.25 115.64 113.97 2xew s THR 7 Ca 0.10 0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.70 2xew s THR 7 Cb -0.12 -3.34 0.12 0.00 1.34 0.00 0.00 72.50 70.51 2xew s THR 7 CO 0.02 -0.37 1.08 0.18 -0.54 0.00 0.00 174.62 174.99 2xew n LEU 8 N -2.75 0.00 0.02 4.79 4.32 -1.26 -0.46 117.00 121.67 2xew n LEU 8 Ca 0.06 0.29 0.11 0.00 -0.02 0.00 0.00 56.01 56.45 2xew n LEU 8 Cb 0.58 -0.29 0.03 0.00 -1.62 0.00 0.00 43.42 42.13 2xew n LEU 8 CO 0.54 -0.22 0.03 0.41 -1.22 0.00 0.00 177.39 176.93 2xew n THR 9 N -1.29 0.15 0.00 -5.08 -1.04 -1.26 -4.96 114.28 100.81 2xew n THR 9 Ca 0.03 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2xew n THR 9 Cb 0.06 0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 2xew n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2xew n GLY 10 N 1.38 1.17 3.59 3.41 0.00 0.40 -5.05 105.19 110.09 2xew n GLY 10 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.57 2xew n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2xew n LYS 11 N -1.99 1.26 -5.22 1.61 5.02 -1.26 -4.70 118.16 112.88 2xew n LYS 11 Ca 0.00 0.45 -0.32 0.00 -2.02 0.00 0.00 58.31 56.42 2xew n LYS 11 Cb 0.00 -1.92 -0.16 0.00 -0.02 0.00 0.00 35.03 32.93 2xew n LYS 11 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2xew s THR 12 N -0.40 2.18 -0.07 -0.18 2.01 -1.26 -1.52 115.64 116.40 2xew s THR 12 Ca 0.69 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.67 2xew s THR 12 Cb -0.80 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 2xew s THR 12 CO 0.54 0.57 -0.07 -0.63 -0.69 0.00 0.00 174.62 174.34 2xew s ILE 13 N -0.22 3.65 -0.14 1.82 1.01 0.29 -4.98 121.20 122.63 2xew s ILE 13 Ca -0.02 -0.50 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 2xew s ILE 13 Cb -0.13 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 2xew s ILE 13 CO 0.03 0.59 -0.13 -0.89 0.00 0.00 0.00 174.94 174.54 2xew s THR 14 N -0.71 3.02 0.12 2.92 2.01 -1.26 -1.21 115.64 120.53 2xew s THR 14 Ca 0.11 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.52 2xew s THR 14 Cb -0.11 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2xew s THR 14 CO 0.02 0.52 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.52 2xew s LEU 15 N 0.46 2.36 -0.24 4.42 1.43 -0.69 -5.01 118.68 121.42 2xew s LEU 15 Ca -0.09 -0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 52.18 2xew s LEU 15 Cb -0.16 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 2xew s LEU 15 CO 0.05 -0.02 0.06 -1.83 0.23 0.00 0.00 176.35 174.83 2xew s GLU 16 N -2.33 3.62 0.33 1.70 4.04 -1.26 -1.56 118.70 123.25 2xew s GLU 16 Ca 0.09 -0.49 0.05 0.00 0.04 0.00 0.00 54.97 54.65 2xew s GLU 16 Cb -0.08 -3.28 -0.03 0.00 0.02 0.00 0.00 34.13 30.76 2xew s GLU 16 CO 0.05 -0.18 0.20 0.14 -1.84 0.00 0.00 175.26 173.63 2xew s VAL 17 N 1.57 0.22 0.11 1.83 -7.23 0.13 -4.87 120.40 112.17 2xew s VAL 17 Ca 0.06 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.33 2xew s VAL 17 Cb -0.15 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2xew s VAL 17 CO 0.03 0.00 -0.24 -1.61 -0.31 0.00 0.00 175.10 172.97 2xew s GLU 18 N -3.67 1.29 0.38 4.82 2.02 -1.26 0.53 118.70 122.82 2xew s GLU 18 Ca 0.35 -1.24 0.13 0.00 0.02 0.00 0.00 54.97 54.23 2xew s GLU 18 Cb 0.03 -1.67 0.95 0.00 0.10 0.00 0.00 34.13 33.54 2xew s GLU 18 CO 0.21 0.39 1.86 -1.35 0.02 0.00 0.00 175.26 176.39 2xew h PRO 19 N 4.04 0.53 0.00 0.39 0.11 -1.97 0.22 132.00 135.33 2xew h PRO 19 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2xew h PRO 19 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2xew h PRO 19 CO 0.40 0.35 0.00 -1.13 -0.21 0.00 0.00 178.00 177.41 2xew n SER 20 N -4.55 0.00 -4.71 -2.05 3.41 -1.26 -2.44 113.62 102.02 2xew n SER 20 Ca 0.18 -0.44 -0.42 0.00 -0.26 0.00 0.00 58.87 57.93 2xew n SER 20 Cb 0.58 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 2xew n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2xew s ASP 21 N -2.26 7.16 0.75 4.04 1.01 0.79 -4.84 116.67 123.32 2xew s ASP 21 Ca 0.30 1.88 -0.11 0.00 0.71 0.00 0.00 52.55 55.33 2xew s ASP 21 Cb 0.16 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.56 2xew s ASP 21 CO 0.32 -0.43 1.08 0.42 0.21 0.00 0.00 175.17 176.77 2xew s THR 22 N 1.22 3.52 0.41 -1.27 -4.23 -1.26 -0.98 115.64 113.05 2xew s THR 22 Ca 0.56 0.49 0.12 0.00 -1.18 0.00 0.00 61.69 61.69 2xew s THR 22 Cb -0.26 -3.20 0.32 0.00 1.34 0.00 0.00 72.50 70.70 2xew s THR 22 CO 0.28 -0.65 1.96 0.40 -0.54 0.00 0.00 174.62 176.07 2xew h ILE 23 N -0.94 0.91 -0.46 2.99 1.08 -1.16 -1.53 117.51 118.39 2xew h ILE 23 Ca -0.45 -0.18 -0.11 0.00 -0.39 0.00 0.00 64.86 63.73 2xew h ILE 23 Cb 1.24 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 2xew h ILE 23 CO 0.57 0.09 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.90 2xew h GLU 24 N 0.51 0.91 -0.75 2.37 4.57 -1.67 -1.14 114.58 119.39 2xew h GLU 24 Ca 0.31 -0.37 0.14 0.00 -1.18 0.00 0.00 59.36 58.26 2xew h GLU 24 Cb 0.53 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 28.98 2xew h GLU 24 CO -0.10 1.02 0.29 -0.91 -1.18 0.00 0.00 179.01 178.14 2xew h ASN 25 N 0.75 0.27 -0.71 1.04 2.35 -1.60 -0.10 115.58 117.58 2xew h ASN 25 Ca 0.11 0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.90 2xew h ASN 25 Cb 0.70 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 2xew h ASN 25 CO 0.05 0.10 0.18 0.58 -1.65 0.00 0.00 177.43 176.70 2xew h VAL 26 N 0.44 1.26 -0.64 2.81 2.07 -0.78 -1.82 116.25 119.60 2xew h VAL 26 Ca 0.41 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 2xew h VAL 26 Cb 0.61 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2xew h VAL 26 CO -0.40 0.37 0.10 0.11 0.02 0.00 0.00 177.57 177.77 2xew h LYS 27 N 1.08 1.04 -0.76 1.57 1.57 -0.34 -0.77 116.57 119.97 2xew h LYS 27 Ca 0.23 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2xew h LYS 27 Cb 0.36 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 2xew h LYS 27 CO 0.00 0.96 0.48 0.00 -0.57 0.00 0.00 179.45 180.32 2xew h ALA 28 N 1.12 0.96 -0.69 3.86 0.00 -0.69 0.12 119.26 123.94 2xew h ALA 28 Ca 0.19 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2xew h ALA 28 Cb 0.43 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2xew h ALA 28 CO 0.01 0.40 0.20 0.87 0.00 0.00 0.00 179.25 180.74 2xew h LYS 29 N 1.03 1.09 -0.66 0.00 1.57 -0.87 0.63 116.57 119.35 2xew h LYS 29 Ca 0.27 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2xew h LYS 29 Cb -0.08 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 2xew h LYS 29 CO -0.06 0.94 0.25 0.82 -0.57 0.00 0.00 179.45 180.84 2xew h ILE 30 N 1.02 1.23 -0.29 1.86 2.04 -0.59 -1.59 117.51 121.19 2xew h ILE 30 Ca 0.22 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 2xew h ILE 30 Cb 0.32 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2xew h ILE 30 CO -0.00 0.30 0.13 -0.61 0.00 0.00 0.00 178.15 177.96 2xew h GLN 31 N 0.96 0.42 -0.89 2.37 4.15 -0.33 0.14 115.11 121.93 2xew h GLN 31 Ca 0.22 -0.07 0.16 0.00 0.77 0.00 0.00 58.65 59.73 2xew h GLN 31 Cb 0.20 -0.07 -0.10 0.00 0.21 0.00 0.00 27.48 27.72 2xew h GLN 31 CO -0.02 0.42 0.48 -0.44 -1.93 0.00 0.00 178.83 177.34 2xew h ASP 32 N 0.33 0.60 0.77 -0.69 3.32 -0.45 0.53 116.42 120.83 2xew h ASP 32 Ca 0.10 0.09 -0.23 0.00 0.02 0.00 0.00 57.03 57.02 2xew h ASP 32 Cb 0.14 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 2xew h ASP 32 CO -0.01 0.24 -1.34 0.11 -1.72 0.00 0.00 179.24 176.52 2xew h LYS 33 N 0.67 0.00 0.00 3.56 1.57 -0.99 -3.41 116.57 117.97 2xew h LYS 33 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2xew h LYS 33 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2xew h LYS 33 CO -0.37 0.59 -0.31 0.39 -0.57 0.00 0.00 179.45 179.19 2xew n GLU 34 N -3.12 3.35 -1.05 3.15 -0.58 0.46 -5.02 120.64 117.84 2xew n GLU 34 Ca -0.09 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.63 2xew n GLU 34 Cb 0.95 -0.56 -0.01 0.00 -0.57 0.00 0.00 31.44 31.25 2xew n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2xew n GLY 35 N 1.09 0.52 3.64 0.62 0.00 0.18 -5.00 105.19 106.25 2xew n GLY 35 Ca 0.00 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2xew n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xew s ILE 36 N -1.92 4.97 0.46 -0.61 1.01 -1.26 -4.99 121.20 118.87 2xew s ILE 36 Ca 0.00 1.21 -0.24 0.00 0.00 0.00 0.00 60.65 61.62 2xew s ILE 36 Cb 0.00 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.43 2xew s ILE 36 CO 0.00 0.04 1.29 -2.84 0.00 0.00 0.00 174.94 173.43 2xew s PRO 37 N 2.36 3.66 0.42 2.79 0.02 -1.26 -3.72 135.00 139.27 2xew s PRO 37 Ca 0.28 2.09 0.22 0.00 0.02 0.00 0.00 61.00 63.61 2xew s PRO 37 Cb -0.16 -2.51 1.19 0.00 0.02 0.00 0.00 34.50 33.04 2xew s PRO 37 CO 0.09 -0.73 1.78 -1.35 -0.33 0.00 0.00 177.00 176.46 2xew h PRO 38 N 2.14 0.31 0.00 5.54 0.11 -1.95 -1.44 132.00 136.70 2xew h PRO 38 Ca -0.50 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 2xew h PRO 38 Cb 1.26 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2xew h PRO 38 CO 0.60 0.20 -0.15 0.38 -0.21 0.00 0.00 178.00 178.83 2xew h ASP 39 N 0.32 0.00 -0.11 -2.05 2.03 -1.98 -1.97 116.42 112.66 2xew h ASP 39 Ca 0.59 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.89 2xew h ASP 39 Cb 1.63 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.13 2xew h ASP 39 CO -0.25 0.15 0.00 0.00 -1.03 0.00 0.00 179.24 178.11 2xew n GLN 40 N -3.29 1.70 -4.12 4.15 6.02 -0.54 -4.70 117.38 116.60 2xew n GLN 40 Ca 0.00 -1.04 -0.34 0.00 -0.01 0.00 0.00 57.00 55.61 2xew n GLN 40 Cb 0.39 -1.42 -0.10 0.00 1.02 0.00 0.00 30.24 30.13 2xew n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2xew s GLN 41 N -1.86 3.82 -0.19 -1.09 -0.21 -0.74 -0.81 119.66 118.58 2xew s GLN 41 Ca 0.34 -0.38 -0.01 0.00 0.02 0.00 0.00 55.36 55.33 2xew s GLN 41 Cb 0.19 -3.11 0.00 0.00 1.00 0.00 0.00 33.01 31.09 2xew s GLN 41 CO 0.29 0.31 -0.13 0.50 -2.12 0.00 0.00 175.29 174.14 2xew s ARG 42 N 0.23 3.21 -0.11 2.91 3.52 0.17 -4.79 118.95 124.09 2xew s ARG 42 Ca 0.02 -0.73 -0.10 0.00 -0.13 0.00 0.00 55.73 54.79 2xew s ARG 42 Cb -0.13 -2.75 -0.05 0.00 -1.56 0.00 0.00 34.95 30.46 2xew s ARG 42 CO 0.01 -0.13 0.23 -0.51 -0.81 0.00 0.00 175.30 174.09 2xew s LEU 43 N 1.21 4.37 -0.06 -0.88 1.43 -1.26 -0.15 118.68 123.34 2xew s LEU 43 Ca 0.02 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 2xew s LEU 43 Cb -0.14 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.84 2xew s LEU 43 CO -0.06 0.31 -0.11 -0.63 0.23 0.00 0.00 176.35 176.10 2xew s ILE 44 N -0.64 1.03 -0.02 -0.59 1.01 0.58 -1.94 121.20 120.63 2xew s ILE 44 Ca 0.17 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.40 2xew s ILE 44 Cb -0.13 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.40 2xew s ILE 44 CO 0.06 0.33 -0.03 0.12 0.00 0.00 0.00 174.94 175.42 2xew s PHE 45 N 0.66 0.39 -1.34 3.97 5.36 -0.27 -0.58 117.98 126.17 2xew s PHE 45 Ca -0.13 -0.06 -0.02 0.00 -0.96 0.00 0.00 56.93 55.75 2xew s PHE 45 Cb -0.15 -0.34 0.01 0.00 -0.34 0.00 0.00 43.02 42.20 2xew s PHE 45 CO 0.03 -0.07 0.76 0.00 -1.46 0.00 0.00 175.22 174.48 2xew n ALA 46 N 3.46 -1.88 -1.32 11.12 0.00 -1.26 -0.42 120.51 130.21 2xew n ALA 46 Ca -0.19 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 2xew n ALA 46 Cb 0.55 -2.42 -0.05 0.00 0.00 0.00 0.00 19.45 17.53 2xew n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xew n GLY 47 N -1.60 1.11 3.30 0.00 0.00 -1.26 -4.91 105.19 101.82 2xew n GLY 47 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2xew n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2xew s LYS 48 N -2.94 3.26 0.26 1.61 2.20 0.45 -5.09 119.74 119.48 2xew s LYS 48 Ca 0.00 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.57 2xew s LYS 48 Cb 0.00 -2.61 -0.10 0.00 -1.51 0.00 0.00 37.83 33.61 2xew s LYS 48 CO 0.00 0.09 1.41 -0.65 -0.36 0.00 0.00 175.35 175.84 2xew s GLN 49 N 0.64 4.29 -0.08 4.03 -0.21 -1.26 -1.11 119.66 125.95 2xew s GLN 49 Ca -0.08 2.27 -0.08 0.00 0.02 0.00 0.00 55.36 57.49 2xew s GLN 49 Cb -0.16 -3.11 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 2xew s GLN 49 CO 0.03 -0.37 0.21 -0.51 -2.12 0.00 0.00 175.29 172.52 2xew s LEU 50 N -0.62 4.40 -0.14 2.90 1.43 -0.82 -4.93 118.68 120.91 2xew s LEU 50 Ca 0.57 0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 54.09 2xew s LEU 50 Cb -0.41 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 2xew s LEU 50 CO 0.45 0.37 0.33 -1.61 0.23 0.00 0.00 176.35 176.12 2xew s GLU 51 N -1.17 4.23 0.31 1.70 8.01 -1.26 -4.77 118.70 125.75 2xew s GLU 51 Ca 0.19 0.18 0.03 0.00 0.01 0.00 0.00 54.97 55.38 2xew s GLU 51 Cb -0.13 -3.41 0.80 0.00 -4.31 0.00 0.00 34.13 27.08 2xew s GLU 51 CO 0.08 0.27 1.58 -0.44 0.01 0.00 0.00 175.26 176.76 2xew h ASP 52 N 6.50 -0.36 0.76 -0.19 3.45 -1.98 -1.22 116.42 123.39 2xew h ASP 52 Ca -0.42 0.27 -0.14 0.00 0.43 0.00 0.00 57.03 57.17 2xew h ASP 52 Cb 1.17 0.45 -0.02 0.00 -0.56 0.00 0.00 39.33 40.37 2xew h ASP 52 CO 0.74 -0.35 -0.66 1.23 -1.57 0.00 0.00 179.24 178.63 2xew h GLY 53 N 0.02 0.00 -1.37 2.75 0.00 -1.96 -2.23 103.07 100.28 2xew h GLY 53 Ca 0.62 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.43 2xew h GLY 53 CO -0.88 0.00 0.34 0.50 0.00 0.00 0.00 176.54 176.50 2xew s ARG 54 N -3.40 2.55 0.44 4.80 1.81 -0.46 -4.80 118.95 119.89 2xew s ARG 54 Ca -0.00 1.13 0.04 0.00 -1.72 0.00 0.00 55.73 55.17 2xew s ARG 54 Cb 0.12 -1.93 0.01 0.00 -0.45 0.00 0.00 34.95 32.69 2xew s ARG 54 CO 0.76 -1.41 0.62 0.95 -0.68 0.00 0.00 175.30 175.55 2xew s THR 55 N -2.87 3.42 0.36 0.02 -4.23 -1.26 -1.30 115.64 109.77 2xew s THR 55 Ca 0.61 -0.79 0.03 0.00 -1.18 0.00 0.00 61.69 60.36 2xew s THR 55 Cb -0.16 -3.22 0.24 0.00 1.34 0.00 0.00 72.50 70.70 2xew s THR 55 CO 0.54 -0.12 1.99 -0.07 -0.54 0.00 0.00 174.62 176.41 2xew h LEU 56 N 0.49 0.64 -0.65 4.79 3.38 -0.91 -2.68 115.31 120.38 2xew h LEU 56 Ca -0.43 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.35 2xew h LEU 56 Cb 1.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2xew h LEU 56 CO 0.52 0.51 -0.53 0.77 0.09 0.00 0.00 178.44 179.80 2xew h SER 57 N 0.74 0.44 0.00 -0.43 4.64 -1.74 -1.80 113.55 115.40 2xew h SER 57 Ca 0.19 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2xew h SER 57 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2xew h SER 57 CO -0.03 0.89 0.02 0.44 -0.87 0.00 0.00 176.83 177.27 2xew h ASP 58 N 0.31 0.00 -0.29 4.97 3.45 -1.78 0.13 116.42 123.22 2xew h ASP 58 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 2xew h ASP 58 Cb 1.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.80 2xew h ASP 58 CO 0.09 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 176.54 2xew n TYR 59 N -2.36 0.38 -3.82 4.55 4.02 -0.97 -4.99 117.16 113.97 2xew n TYR 59 Ca -0.02 -0.45 -0.23 0.00 -0.01 0.00 0.00 57.90 57.19 2xew n TYR 59 Cb 0.06 -0.03 0.01 0.00 -0.02 0.00 0.00 39.34 39.36 2xew n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2xew n ASN 60 N 0.44 -0.75 -4.50 7.72 3.02 0.45 -4.94 115.26 116.70 2xew n ASN 60 Ca 0.10 -0.91 -0.42 0.00 -0.03 0.00 0.00 54.58 53.32 2xew n ASN 60 Cb 0.40 -3.58 -0.09 0.00 -0.61 0.00 0.00 39.78 35.90 2xew n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2xew s ILE 61 N -3.81 5.12 0.13 2.41 1.01 -0.71 -5.03 121.20 120.31 2xew s ILE 61 Ca 0.01 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.45 2xew s ILE 61 Cb -0.00 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.51 2xew s ILE 61 CO 0.85 -0.31 0.12 0.00 0.00 0.00 0.00 174.94 175.60 2xew n GLN 62 N 5.52 1.19 -1.90 2.79 1.13 -1.26 -4.64 117.38 120.21 2xew n GLN 62 Ca -0.08 -0.80 -0.41 0.00 -1.94 0.00 0.00 57.00 53.78 2xew n GLN 62 Cb 0.48 0.05 -0.00 0.00 0.11 0.00 0.00 30.24 30.87 2xew n GLN 62 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2xew s LYS 63 N -2.56 4.08 0.00 -1.09 -0.14 -1.26 -2.21 119.74 116.56 2xew s LYS 63 Ca 0.09 2.42 0.00 0.00 -1.36 0.00 0.00 55.97 57.12 2xew s LYS 63 Cb -0.01 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 33.23 2xew s LYS 63 CO 0.06 -0.50 0.00 0.39 -0.76 0.00 0.00 175.35 174.54 2xew n GLU 64 N 0.39 -1.04 -0.99 1.68 4.71 0.42 -4.98 120.64 120.83 2xew n GLU 64 Ca 0.02 0.26 -0.29 0.00 -0.01 0.00 0.00 57.16 57.13 2xew n GLU 64 Cb 0.41 -4.08 0.18 0.00 -1.01 0.00 0.00 31.44 26.94 2xew n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2xew s SER 65 N -2.03 2.62 -0.10 1.62 0.01 -0.94 -4.71 113.70 110.17 2xew s SER 65 Ca 0.00 1.49 0.01 0.00 1.31 0.00 0.00 55.95 58.75 2xew s SER 65 Cb 0.00 -2.16 0.02 0.00 0.21 0.00 0.00 66.02 64.09 2xew s SER 65 CO 0.00 -3.18 -0.11 -0.89 0.41 0.00 0.00 173.24 169.48 2xew s THR 66 N -2.80 1.19 0.27 1.44 2.01 -1.26 -0.21 115.64 116.28 2xew s THR 66 Ca 0.65 -0.43 0.05 0.00 0.31 0.00 0.00 61.69 62.28 2xew s THR 66 Cb -0.20 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 2xew s THR 66 CO 0.59 0.39 0.39 -0.76 -0.69 0.00 0.00 174.62 174.54 2xew s LEU 67 N 1.31 4.21 -0.10 4.42 1.43 0.23 -4.86 118.68 125.31 2xew s LEU 67 Ca -0.02 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2xew s LEU 67 Cb -0.14 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 2xew s LEU 67 CO -0.05 -0.18 -0.17 -1.00 0.23 0.00 0.00 176.35 175.18 2xew s HIS 68 N -2.04 2.69 -0.20 0.29 3.76 0.26 -0.42 115.29 119.62 2xew s HIS 68 Ca 0.37 -0.69 -0.08 0.00 -0.15 0.00 0.00 55.06 54.51 2xew s HIS 68 Cb -0.09 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.80 2xew s HIS 68 CO 0.30 -0.21 0.09 -1.17 -0.85 0.00 0.00 174.74 172.89 2xew s LEU 69 N 0.14 3.85 -0.02 0.89 2.96 0.66 -0.31 118.68 126.85 2xew s LEU 69 Ca -0.09 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2xew s LEU 69 Cb -0.15 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 2xew s LEU 69 CO 0.06 0.13 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.41 2xew s VAL 70 N 0.67 0.92 0.40 1.68 1.01 0.79 -4.08 120.40 121.78 2xew s VAL 70 Ca 0.05 -0.47 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 2xew s VAL 70 Cb -0.13 -0.79 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 2xew s VAL 70 CO 0.01 0.27 1.36 -0.76 0.00 0.00 0.00 175.10 175.98 2xew s LEU 71 N -0.06 4.24 -0.21 3.92 1.43 -1.26 0.43 118.68 127.18 2xew s LEU 71 Ca 0.01 2.78 -0.05 0.00 -1.03 0.00 0.00 54.13 55.84 2xew s LEU 71 Cb -0.07 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.30 2xew s LEU 71 CO 0.00 -0.88 -0.00 -0.60 0.23 0.00 0.00 176.35 175.10 2xew s ARG 72 N -2.19 3.59 0.49 1.70 3.52 0.01 -4.73 118.95 121.33 2xew s ARG 72 Ca 0.56 -0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 55.62 2xew s ARG 72 Cb -0.41 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 29.90 2xew s ARG 72 CO 0.53 -0.03 0.73 -0.51 -0.81 0.00 0.00 175.30 175.22 2xew s LEU 73 N 1.09 3.52 0.23 -0.88 1.02 -1.26 -4.67 118.68 117.73 2xew s LEU 73 Ca 0.02 0.34 -0.30 0.00 0.02 0.00 0.00 54.13 54.21 2xew s LEU 73 Cb -0.14 -3.20 -0.09 0.00 0.02 0.00 0.00 46.19 42.78 2xew s LEU 73 CO 0.01 -0.83 1.12 -0.13 0.02 0.00 0.00 176.35 176.54 2xew s ARG 74 N -4.67 4.60 0.00 1.70 1.81 -1.26 -5.01 118.95 116.12 2xew s ARG 74 Ca 0.51 1.79 0.00 0.00 -1.72 0.00 0.00 55.73 56.31 2xew s ARG 74 Cb -0.10 -3.23 0.00 0.00 -0.45 0.00 0.00 34.95 31.17 2xew s ARG 74 CO 0.39 0.11 0.00 0.41 -0.68 0.00 0.00 175.30 175.53 2xew n GLY 75 N 1.67 3.39 0.00 -3.53 0.00 -1.26 -5.33 105.19 100.14 2xew n GLY 75 Ca 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.70 2xew n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93