#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqq s GLN 2 N 0.00 3.83 0.31 3.17 -2.07 -1.26 -0.65 119.66 122.99 1xqq s GLN 2 Ca 0.00 0.12 0.11 0.00 -1.82 0.00 0.00 55.36 53.76 1xqq s GLN 2 Cb 0.00 -3.27 -0.06 0.00 -1.09 0.00 0.00 33.01 28.60 1xqq s GLN 2 CO 0.00 0.60 -0.14 0.96 -1.32 0.00 0.00 175.29 175.39 1xqq s ILE 3 N -0.64 2.43 -0.05 3.63 -4.36 -0.08 -1.94 121.20 120.18 1xqq s ILE 3 Ca 0.18 -2.28 0.06 0.00 -0.26 0.00 0.00 60.65 58.35 1xqq s ILE 3 Cb -0.14 -2.49 -0.01 0.00 1.25 0.00 0.00 42.46 41.07 1xqq s ILE 3 CO 0.07 -0.31 -0.25 -0.36 0.24 0.00 0.00 174.94 174.34 1xqq s PHE 4 N -2.54 2.43 -0.29 1.37 0.08 -0.84 -1.37 117.98 116.82 1xqq s PHE 4 Ca 0.31 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.72 1xqq s PHE 4 Cb -0.02 -1.58 0.09 0.00 -0.57 0.00 0.00 43.02 40.94 1xqq s PHE 4 CO 0.16 -0.17 0.05 0.08 -0.10 0.00 0.00 175.22 175.24 1xqq s VAL 5 N -0.27 1.28 -0.28 -0.44 1.01 0.41 -0.60 120.40 121.51 1xqq s VAL 5 Ca -0.00 -1.49 -0.23 0.00 0.00 0.00 0.00 61.98 60.26 1xqq s VAL 5 Cb -0.13 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 1xqq s VAL 5 CO 0.03 -0.50 0.78 -0.75 0.00 0.00 0.00 175.10 174.66 1xqq s LYS 6 N 1.44 4.05 0.09 2.72 2.20 0.75 -0.49 119.74 130.50 1xqq s LYS 6 Ca 0.06 0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 56.36 1xqq s LYS 6 Cb -0.18 -3.69 0.02 0.00 -1.51 0.00 0.00 37.83 32.47 1xqq s LYS 6 CO -0.16 -0.60 0.12 0.25 -0.36 0.00 0.00 175.35 174.60 1xqq n THR 7 N 5.41 0.00 0.03 3.43 -2.24 -0.72 -0.45 114.28 119.74 1xqq n THR 7 Ca 0.04 -0.12 0.01 0.00 -2.27 0.00 0.00 64.05 61.71 1xqq n THR 7 Cb 0.48 -1.75 -0.08 0.00 -2.10 0.00 0.00 70.33 66.88 1xqq n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xqq n LEU 8 N 0.00 0.79 0.00 3.22 4.77 -1.25 -4.69 117.00 119.83 1xqq n LEU 8 Ca 0.02 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1xqq n LEU 8 Cb 0.06 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1xqq n LEU 8 CO 0.04 0.13 0.00 0.35 -1.33 0.00 0.00 177.39 176.58 1xqq n THR 9 N -2.84 0.00 -2.25 -5.08 -2.24 -1.26 -4.99 114.28 95.62 1xqq n THR 9 Ca -0.10 0.39 -0.02 0.00 -2.27 0.00 0.00 64.05 62.05 1xqq n THR 9 Cb 0.83 -1.29 0.02 0.00 -2.10 0.00 0.00 70.33 67.79 1xqq n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xqq n GLY 10 N 1.90 0.33 3.35 3.38 0.00 -1.26 -5.14 105.19 107.75 1xqq n GLY 10 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 1xqq n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xqq s LYS 11 N 0.04 1.29 -0.13 1.61 2.20 -1.26 -5.06 119.74 118.43 1xqq s LYS 11 Ca 0.03 -1.32 0.01 0.00 -0.36 0.00 0.00 55.97 54.33 1xqq s LYS 11 Cb 0.14 -1.59 0.02 0.00 -1.51 0.00 0.00 37.83 34.88 1xqq s LYS 11 CO -0.04 0.36 -0.13 0.99 -0.36 0.00 0.00 175.35 176.17 1xqq s THR 12 N -1.37 1.44 -0.08 3.43 2.01 -1.26 -1.75 115.64 118.07 1xqq s THR 12 Ca 0.12 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 1xqq s THR 12 Cb -0.09 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 1xqq s THR 12 CO 0.06 0.44 0.08 0.27 -0.69 0.00 0.00 174.62 174.78 1xqq s ILE 13 N 1.35 4.91 -0.31 1.82 -4.36 0.36 -4.88 121.20 120.10 1xqq s ILE 13 Ca 0.01 -0.11 -0.10 0.00 -0.26 0.00 0.00 60.65 60.19 1xqq s ILE 13 Cb -0.13 -3.15 -0.01 0.00 1.25 0.00 0.00 42.46 40.42 1xqq s ILE 13 CO -0.07 0.54 0.15 -0.89 0.24 0.00 0.00 174.94 174.91 1xqq s THR 14 N -1.03 4.64 -0.09 8.37 2.01 -1.26 -0.44 115.64 127.83 1xqq s THR 14 Ca 0.17 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1xqq s THR 14 Cb -0.12 -3.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 1xqq s THR 14 CO 0.06 0.09 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.13 1xqq s LEU 15 N 1.62 2.42 -0.27 4.42 2.01 -0.47 -4.99 118.68 123.43 1xqq s LEU 15 Ca 0.05 -0.40 -0.07 0.00 0.01 0.00 0.00 54.13 53.71 1xqq s LEU 15 Cb -0.17 -1.50 -0.02 0.00 0.01 0.00 0.00 46.19 44.52 1xqq s LEU 15 CO 0.06 0.22 0.07 -0.70 1.01 0.00 0.00 176.35 177.01 1xqq s GLU 16 N 0.03 3.46 0.01 1.70 2.12 -1.26 -0.90 118.70 123.86 1xqq s GLU 16 Ca -0.07 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.65 1xqq s GLU 16 Cb -0.15 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 1xqq s GLU 16 CO 0.05 -0.28 -0.02 0.14 -0.54 0.00 0.00 175.26 174.61 1xqq s VAL 17 N 1.58 0.09 0.15 3.70 -7.23 0.18 -4.97 120.40 113.89 1xqq s VAL 17 Ca 0.05 -0.50 -0.09 0.00 -1.81 0.00 0.00 61.98 59.64 1xqq s VAL 17 Cb -0.16 -0.17 -0.06 0.00 0.56 0.00 0.00 36.38 36.55 1xqq s VAL 17 CO 0.03 -0.26 0.45 -1.61 -0.31 0.00 0.00 175.10 173.40 1xqq s GLU 18 N -0.78 3.75 0.39 4.82 2.02 -1.26 -0.19 118.70 127.45 1xqq s GLU 18 Ca -0.08 0.16 0.19 0.00 0.02 0.00 0.00 54.97 55.26 1xqq s GLU 18 Cb -0.05 -2.85 0.77 0.00 0.10 0.00 0.00 34.13 32.10 1xqq s GLU 18 CO -0.00 0.46 1.78 -1.00 0.02 0.00 0.00 175.26 176.51 1xqq h PRO 19 N 3.12 0.00 0.00 0.39 0.13 -1.95 -1.43 132.00 132.26 1xqq h PRO 19 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xqq h PRO 19 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xqq h PRO 19 CO 0.69 0.34 0.00 0.43 -0.23 0.00 0.00 178.00 179.23 1xqq n SER 20 N -3.59 0.00 -4.77 1.44 7.64 -1.26 -0.93 113.62 112.15 1xqq n SER 20 Ca -0.01 -0.52 -0.39 0.00 1.01 0.00 0.00 58.87 58.96 1xqq n SER 20 Cb 0.47 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xqq s ASP 21 N -1.99 6.76 0.68 6.43 1.01 -0.54 -4.91 116.67 124.11 1xqq s ASP 21 Ca 0.24 2.40 -0.12 0.00 0.71 0.00 0.00 52.55 55.77 1xqq s ASP 21 Cb 0.11 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1xqq s ASP 21 CO 0.18 -0.52 1.07 0.42 0.21 0.00 0.00 175.17 176.53 1xqq s THR 22 N -1.30 3.85 0.29 -1.27 -4.23 -1.26 -1.76 115.64 109.96 1xqq s THR 22 Ca 0.52 0.67 0.03 0.00 -1.18 0.00 0.00 61.69 61.73 1xqq s THR 22 Cb -0.33 -3.32 0.07 0.00 1.34 0.00 0.00 72.50 70.27 1xqq s THR 22 CO 0.42 -0.72 1.73 0.40 -0.54 0.00 0.00 174.62 175.92 1xqq h ILE 23 N -0.49 1.26 -0.90 2.99 1.08 0.31 -1.57 117.51 120.19 1xqq h ILE 23 Ca -0.45 -1.23 0.22 0.00 -0.39 0.00 0.00 64.86 63.01 1xqq h ILE 23 Cb 1.22 1.33 -0.12 0.00 -3.07 0.00 0.00 36.82 36.17 1xqq h ILE 23 CO 0.56 0.39 0.39 -0.08 -0.69 0.00 0.00 178.15 178.72 1xqq h GLU 24 N 0.42 0.39 0.00 2.37 4.81 -1.39 -1.85 114.58 119.32 1xqq h GLU 24 Ca 0.06 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1xqq h GLU 24 Cb 0.64 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1xqq h GLU 24 CO 0.05 0.26 -0.44 -0.91 -0.73 0.00 0.00 179.01 177.23 1xqq h ASN 25 N 0.40 0.00 -0.05 1.04 -0.26 -1.58 -1.64 115.58 113.49 1xqq h ASN 25 Ca 0.56 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.29 1xqq h ASN 25 Cb 1.06 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.32 1xqq h ASN 25 CO -0.53 0.44 -0.02 0.58 -1.06 0.00 0.00 177.43 176.84 1xqq h VAL 26 N 0.00 1.33 -0.94 2.81 2.07 -1.27 -3.12 116.25 117.13 1xqq h VAL 26 Ca -0.00 -1.03 0.11 0.00 0.82 0.00 0.00 66.70 66.60 1xqq h VAL 26 Cb 0.93 1.92 -0.07 0.00 -1.52 0.00 0.00 31.29 32.55 1xqq h VAL 26 CO 0.06 0.28 0.60 0.11 0.02 0.00 0.00 177.57 178.63 1xqq h LYS 27 N -0.29 0.87 -0.90 1.57 1.57 -1.17 -2.08 116.57 116.14 1xqq h LYS 27 Ca 0.01 -0.05 0.19 0.00 -1.87 0.00 0.00 60.65 58.93 1xqq h LYS 27 Cb 0.46 -0.20 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 1xqq h LYS 27 CO 0.01 0.57 0.59 0.00 -0.57 0.00 0.00 179.45 180.05 1xqq h ALA 28 N 1.55 2.09 0.01 3.86 0.00 -1.24 -0.91 119.26 124.63 1xqq h ALA 28 Ca 0.45 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.19 1xqq h ALA 28 Cb 0.49 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1xqq h ALA 28 CO -0.21 -0.37 -0.89 0.87 0.00 0.00 0.00 179.25 178.65 1xqq h LYS 29 N 0.49 0.10 -0.09 0.00 1.57 -1.42 -2.39 116.57 114.82 1xqq h LYS 29 Ca 0.47 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 59.00 1xqq h LYS 29 Cb 1.05 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1xqq h LYS 29 CO -0.20 0.92 -0.49 0.82 -0.57 0.00 0.00 179.45 179.94 1xqq h ILE 30 N 0.05 1.34 -0.07 1.86 2.04 -1.34 -1.69 117.51 119.70 1xqq h ILE 30 Ca -0.03 -1.72 -0.20 0.00 1.00 0.00 0.00 64.86 63.91 1xqq h ILE 30 Cb 1.54 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1xqq h ILE 30 CO 0.13 0.51 -0.80 -0.61 0.00 0.00 0.00 178.15 177.38 1xqq h GLN 31 N 0.20 0.47 0.10 2.37 4.15 -1.09 -2.11 115.11 119.19 1xqq h GLN 31 Ca 0.01 -0.41 -0.00 0.00 0.77 0.00 0.00 58.65 59.01 1xqq h GLN 31 Cb 0.94 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1xqq h GLN 31 CO 0.08 1.05 -0.05 0.22 -1.93 0.00 0.00 178.83 178.20 1xqq h ASP 32 N 0.30 -0.11 0.00 -0.69 3.58 -1.38 -3.14 116.42 114.98 1xqq h ASP 32 Ca -0.05 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.18 1xqq h ASP 32 Cb 1.40 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.48 1xqq h ASP 32 CO 0.14 0.15 -0.05 0.11 -2.88 0.00 0.00 179.24 176.71 1xqq h LYS 33 N -0.38 0.00 0.03 0.28 1.57 -1.34 -3.39 116.57 113.34 1xqq h LYS 33 Ca -0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.42 1xqq h LYS 33 Cb 0.32 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1xqq h LYS 33 CO 0.02 0.46 -2.11 0.39 -0.57 0.00 0.00 179.45 177.65 1xqq n GLU 34 N -4.69 0.68 -0.74 3.15 -0.58 -0.81 -5.02 120.64 112.62 1xqq n GLU 34 Ca -0.06 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1xqq n GLU 34 Cb 0.24 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1xqq n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xqq n GLY 35 N 1.85 0.65 3.14 0.62 0.00 -1.09 -5.06 105.19 105.31 1xqq n GLY 35 Ca -0.30 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 1xqq n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xqq s ILE 36 N -2.07 3.23 0.40 -0.61 1.01 -1.23 -5.02 121.20 116.91 1xqq s ILE 36 Ca 0.00 -1.81 -0.27 0.00 0.00 0.00 0.00 60.65 58.58 1xqq s ILE 36 Cb 0.00 -3.10 -0.10 0.00 0.01 0.00 0.00 42.46 39.27 1xqq s ILE 36 CO 0.00 -0.49 1.34 -2.65 0.00 0.00 0.00 174.94 173.14 1xqq n PRO 37 N 4.61 2.18 0.24 2.79 -0.02 -1.26 -4.25 135.00 139.30 1xqq n PRO 37 Ca -0.06 0.77 0.16 0.00 -2.02 0.00 0.00 63.50 62.35 1xqq n PRO 37 Cb 0.42 -2.46 0.62 0.00 -0.02 0.00 0.00 33.50 32.06 1xqq n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1xqq h PRO 38 N 2.40 0.00 0.00 0.52 0.13 -1.93 -2.21 132.00 130.91 1xqq h PRO 38 Ca -0.48 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 1xqq h PRO 38 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1xqq h PRO 38 CO 0.61 0.00 -0.87 -0.44 -0.23 0.00 0.00 178.00 177.08 1xqq h ASP 39 N 0.00 0.19 0.38 1.44 3.32 -1.96 -2.52 116.42 117.28 1xqq h ASP 39 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1xqq h ASP 39 Cb 0.50 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1xqq h ASP 39 CO 0.00 0.97 0.00 0.00 -1.72 0.00 0.00 179.24 178.49 1xqq n GLN 40 N -3.63 0.28 -4.26 3.56 6.02 -0.84 -4.66 117.38 113.86 1xqq n GLN 40 Ca -0.03 0.10 -0.35 0.00 -0.01 0.00 0.00 57.00 56.70 1xqq n GLN 40 Cb 0.81 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.48 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xqq s GLN 41 N -2.57 3.09 -0.07 -1.09 -0.21 -0.95 0.10 119.66 117.96 1xqq s GLN 41 Ca 0.19 -0.35 -0.02 0.00 0.02 0.00 0.00 55.36 55.20 1xqq s GLN 41 Cb 0.14 -2.88 0.04 0.00 1.00 0.00 0.00 33.01 31.30 1xqq s GLN 41 CO 0.31 0.71 0.05 0.50 -2.12 0.00 0.00 175.29 174.74 1xqq s ARG 42 N -0.90 0.15 -0.07 2.91 3.52 -0.33 -4.73 118.95 119.51 1xqq s ARG 42 Ca 0.13 0.20 -0.24 0.00 -0.13 0.00 0.00 55.73 55.70 1xqq s ARG 42 Cb -0.11 -0.90 -0.04 0.00 -1.56 0.00 0.00 34.95 32.34 1xqq s ARG 42 CO 0.03 -0.39 0.71 -0.51 -0.81 0.00 0.00 175.30 174.33 1xqq s LEU 43 N 2.10 4.31 -0.05 -0.88 1.43 -1.26 -0.86 118.68 123.47 1xqq s LEU 43 Ca 0.04 1.19 0.06 0.00 -1.03 0.00 0.00 54.13 54.40 1xqq s LEU 43 Cb -0.13 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 1xqq s LEU 43 CO -0.05 -0.13 -0.25 -0.63 0.23 0.00 0.00 176.35 175.52 1xqq s ILE 44 N 0.87 2.04 -0.44 -0.59 1.01 0.12 -1.40 121.20 122.81 1xqq s ILE 44 Ca 0.38 -1.06 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 1xqq s ILE 44 Cb -0.18 -1.73 0.09 0.00 0.01 0.00 0.00 42.46 40.66 1xqq s ILE 44 CO 0.18 0.57 0.30 0.12 0.00 0.00 0.00 174.94 176.11 1xqq s PHE 45 N -0.19 3.36 0.00 3.97 5.36 0.24 -0.22 117.98 130.50 1xqq s PHE 45 Ca -0.03 -1.60 0.00 0.00 -0.96 0.00 0.00 56.93 54.34 1xqq s PHE 45 Cb -0.13 -3.17 0.00 0.00 -0.34 0.00 0.00 43.02 39.38 1xqq s PHE 45 CO 0.03 -0.90 0.00 0.00 -1.46 0.00 0.00 175.22 172.90 1xqq n ALA 46 N 4.94 0.00 1.12 11.12 0.00 -1.26 -1.31 120.51 135.11 1xqq n ALA 46 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.48 1xqq n ALA 46 Cb 0.42 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.31 1xqq n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xqq n GLY 47 N 0.00 -1.18 3.20 0.00 0.00 -1.26 -4.90 105.19 101.04 1xqq n GLY 47 Ca 0.00 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1xqq n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xqq s LYS 48 N -2.83 2.86 0.17 1.61 2.20 -0.43 -5.08 119.74 118.24 1xqq s LYS 48 Ca 0.17 -0.96 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 1xqq s LYS 48 Cb 0.19 -2.96 -0.08 0.00 -1.51 0.00 0.00 37.83 33.47 1xqq s LYS 48 CO 0.59 -0.38 1.24 1.14 -0.36 0.00 0.00 175.35 177.58 1xqq s GLN 49 N 1.32 4.44 -0.07 4.03 -2.07 -1.26 0.82 119.66 126.88 1xqq s GLN 49 Ca 0.01 1.93 -0.13 0.00 -1.82 0.00 0.00 55.36 55.35 1xqq s GLN 49 Cb -0.16 -3.24 -0.05 0.00 -1.09 0.00 0.00 33.01 28.47 1xqq s GLN 49 CO -0.05 -0.18 0.33 -0.51 -1.32 0.00 0.00 175.29 173.56 1xqq s LEU 50 N 0.04 4.40 0.09 2.60 2.01 -0.49 -4.92 118.68 122.41 1xqq s LEU 50 Ca 0.55 0.75 -0.21 0.00 0.01 0.00 0.00 54.13 55.24 1xqq s LEU 50 Cb -0.34 -2.43 -0.07 0.00 0.01 0.00 0.00 46.19 43.37 1xqq s LEU 50 CO 0.36 0.28 0.62 -0.70 1.01 0.00 0.00 176.35 177.92 1xqq s GLU 51 N -0.68 4.29 0.00 1.70 2.12 -1.26 -4.70 118.70 120.17 1xqq s GLU 51 Ca 0.20 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.37 1xqq s GLU 51 Cb -0.15 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 30.99 1xqq s GLU 51 CO 0.09 0.61 0.48 -0.25 -0.54 0.00 0.00 175.26 175.65 1xqq n ASP 52 N 1.73 0.00 -1.83 -1.70 9.92 -1.26 -2.35 116.55 121.06 1xqq n ASP 52 Ca -0.09 0.48 -0.10 0.00 -0.53 0.00 0.00 54.79 54.54 1xqq n ASP 52 Cb 0.50 -0.17 -0.03 0.00 -0.64 0.00 0.00 41.12 40.78 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xqq n GLY 53 N -0.91 3.28 3.24 0.44 0.00 -1.26 -1.17 105.19 108.81 1xqq n GLY 53 Ca 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 1xqq n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xqq s ARG 54 N -0.54 1.04 0.78 1.61 0.52 -0.99 -4.96 118.95 116.41 1xqq s ARG 54 Ca 0.29 -1.34 -0.06 0.00 -0.52 0.00 0.00 55.73 54.10 1xqq s ARG 54 Cb 0.18 -0.76 0.14 0.00 0.52 0.00 0.00 34.95 35.02 1xqq s ARG 54 CO -0.03 0.12 1.09 0.95 0.02 0.00 0.00 175.30 177.45 1xqq s THR 55 N -2.70 2.13 0.14 0.02 -4.23 -1.26 -0.00 115.64 109.74 1xqq s THR 55 Ca 0.13 -0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 60.13 1xqq s THR 55 Cb -0.01 -2.77 0.01 0.00 1.34 0.00 0.00 72.50 71.07 1xqq s THR 55 CO 0.02 0.00 1.63 -0.07 -0.54 0.00 0.00 174.62 175.66 1xqq h LEU 56 N -0.85 0.75 -1.37 4.79 3.38 -1.39 -3.12 115.31 117.49 1xqq h LEU 56 Ca -0.40 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.25 1xqq h LEU 56 Cb 1.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1xqq h LEU 56 CO 0.43 0.82 -0.16 -1.28 0.09 0.00 0.00 178.44 178.35 1xqq h SER 57 N 0.65 0.21 0.51 -0.43 0.87 -1.29 -1.08 113.55 113.00 1xqq h SER 57 Ca 0.14 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1xqq h SER 57 Cb 0.39 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1xqq h SER 57 CO 0.01 0.39 -0.25 0.44 -0.53 0.00 0.00 176.83 176.90 1xqq h ASP 58 N 0.21 -0.58 0.00 6.23 3.32 -1.83 -1.48 116.42 122.29 1xqq h ASP 58 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xqq h ASP 58 Cb 0.41 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1xqq h ASP 58 CO 0.03 -0.39 0.00 -1.22 -1.72 0.00 0.00 179.24 175.94 1xqq n TYR 59 N -5.37 0.00 -4.48 4.55 4.01 -1.12 -4.88 117.16 109.86 1xqq n TYR 59 Ca -0.12 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.20 1xqq n TYR 59 Cb 0.29 -0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.22 1xqq n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1xqq n ASN 60 N -0.12 -2.15 -4.63 7.72 2.85 -0.56 -4.91 115.26 113.47 1xqq n ASN 60 Ca 0.00 -1.20 -0.43 0.00 -0.11 0.00 0.00 54.58 52.84 1xqq n ASN 60 Cb 0.08 -1.84 -0.03 0.00 1.24 0.00 0.00 39.78 39.23 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1xqq s ILE 61 N -3.25 4.59 0.00 -1.44 1.01 -0.50 -5.00 121.20 116.60 1xqq s ILE 61 Ca 0.82 1.53 0.00 0.00 0.00 0.00 0.00 60.65 63.01 1xqq s ILE 61 Cb -0.47 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 37.66 1xqq s ILE 61 CO 1.01 -0.43 0.00 0.00 0.00 0.00 0.00 174.94 175.52 1xqq n GLN 62 N 6.69 3.85 -2.06 2.79 6.02 -1.26 -4.60 117.38 128.81 1xqq n GLN 62 Ca 0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.76 1xqq n GLN 62 Cb 0.47 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1xqq s LYS 63 N 3.59 3.48 0.00 -1.09 -2.85 -1.26 -3.86 119.74 117.74 1xqq s LYS 63 Ca 0.00 1.04 0.00 0.00 -1.00 0.00 0.00 55.97 56.01 1xqq s LYS 63 Cb 0.00 -2.06 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 1xqq s LYS 63 CO 0.00 -0.67 0.00 0.39 0.10 0.00 0.00 175.35 175.17 1xqq n GLU 64 N -2.14 -1.34 -2.00 1.78 1.02 -0.82 -4.94 120.64 112.21 1xqq n GLU 64 Ca 0.08 0.33 -0.42 0.00 -0.02 0.00 0.00 57.16 57.13 1xqq n GLU 64 Cb 0.53 -4.43 -0.03 0.00 -0.02 0.00 0.00 31.44 27.50 1xqq n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1xqq s SER 65 N -2.02 6.64 -0.39 1.62 0.01 -1.25 -4.77 113.70 113.54 1xqq s SER 65 Ca 0.00 2.62 -0.27 0.00 1.31 0.00 0.00 55.95 59.61 1xqq s SER 65 Cb 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.64 1xqq s SER 65 CO 0.00 -0.74 0.98 -0.89 0.41 0.00 0.00 173.24 173.00 1xqq s THR 66 N 0.50 4.51 0.18 1.44 2.01 -1.26 -1.98 115.64 121.04 1xqq s THR 66 Ca 0.64 1.23 0.05 0.00 0.31 0.00 0.00 61.69 63.91 1xqq s THR 66 Cb -0.42 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 67.66 1xqq s THR 66 CO 0.38 -0.63 0.20 -0.76 -0.69 0.00 0.00 174.62 173.12 1xqq s LEU 67 N 3.68 3.98 -0.19 4.42 1.02 0.23 -4.57 118.68 127.26 1xqq s LEU 67 Ca 0.41 -0.05 -0.05 0.00 0.02 0.00 0.00 54.13 54.45 1xqq s LEU 67 Cb -0.11 -2.57 -0.03 0.00 0.02 0.00 0.00 46.19 43.50 1xqq s LEU 67 CO 0.21 0.04 0.01 -1.00 0.02 0.00 0.00 176.35 175.63 1xqq s HIS 68 N -1.82 3.08 -0.22 0.29 3.76 0.69 -0.18 115.29 120.89 1xqq s HIS 68 Ca 0.32 -0.29 -0.08 0.00 -0.15 0.00 0.00 55.06 54.86 1xqq s HIS 68 Cb -0.10 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.49 1xqq s HIS 68 CO 0.25 -0.10 0.09 -1.17 -0.85 0.00 0.00 174.74 172.96 1xqq s LEU 69 N 0.72 3.73 0.07 0.89 2.96 0.41 -0.70 118.68 126.75 1xqq s LEU 69 Ca 0.00 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.94 1xqq s LEU 69 Cb -0.14 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1xqq s LEU 69 CO 0.02 0.06 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.34 1xqq s VAL 70 N 1.06 3.51 -0.07 1.68 1.01 -0.04 -3.96 120.40 123.59 1xqq s VAL 70 Ca 0.05 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.76 1xqq s VAL 70 Cb -0.14 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1xqq s VAL 70 CO 0.03 0.21 0.56 -0.76 0.00 0.00 0.00 175.10 175.15 1xqq s LEU 71 N -1.93 4.33 -0.14 3.92 1.43 -1.26 -1.18 118.68 123.85 1xqq s LEU 71 Ca 0.20 1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 54.28 1xqq s LEU 71 Cb -0.11 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 1xqq s LEU 71 CO 0.12 0.01 -0.05 -0.60 0.23 0.00 0.00 176.35 176.07 1xqq s ARG 72 N 0.38 3.48 0.40 1.70 3.52 0.29 -4.89 118.95 123.83 1xqq s ARG 72 Ca 0.30 -0.53 -0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1xqq s ARG 72 Cb -0.17 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.36 1xqq s ARG 72 CO 0.14 0.33 0.62 -0.51 -0.81 0.00 0.00 175.30 175.07 1xqq s LEU 73 N 0.12 3.83 0.67 -0.88 1.43 -1.26 -4.33 118.68 118.26 1xqq s LEU 73 Ca -0.01 0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 53.38 1xqq s LEU 73 Cb -0.14 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1xqq s LEU 73 CO 0.03 -0.48 1.07 -0.13 0.23 0.00 0.00 176.35 177.06 1xqq s ARG 74 N -4.45 2.93 0.00 1.70 1.81 -1.26 -4.39 118.95 115.29 1xqq s ARG 74 Ca 0.44 1.10 0.00 0.00 -1.72 0.00 0.00 55.73 55.55 1xqq s ARG 74 Cb -0.10 -1.98 0.00 0.00 -0.45 0.00 0.00 34.95 32.42 1xqq s ARG 74 CO 0.38 -1.12 0.00 0.41 -0.68 0.00 0.00 175.30 174.29 1xqq n GLY 75 N -1.43 0.53 0.00 -3.53 0.00 -1.26 -5.25 105.19 94.25 1xqq n GLY 75 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93