#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 4.04 -0.05 2.12 0.74 -1.26 0.60 119.66 125.85 1xqq s GLN 2 Ca 0.00 0.32 0.04 0.00 0.05 0.00 0.00 55.36 55.77 1xqq s GLN 2 Cb 0.00 -3.30 -0.00 0.00 1.10 0.00 0.00 33.01 30.80 1xqq s GLN 2 CO 0.00 0.50 -0.18 0.96 -0.55 0.00 0.00 175.29 176.02 1xqq s ILE 3 N -0.42 1.50 -0.02 -2.34 -4.36 0.33 -0.70 121.20 115.19 1xqq s ILE 3 Ca 0.22 -0.75 -0.21 0.00 -0.26 0.00 0.00 60.65 59.64 1xqq s ILE 3 Cb -0.15 -1.29 -0.05 0.00 1.25 0.00 0.00 42.46 42.22 1xqq s ILE 3 CO 0.10 0.43 0.63 -0.36 0.24 0.00 0.00 174.94 175.98 1xqq s PHE 4 N 0.04 3.65 -0.24 1.37 0.08 -0.30 -1.05 117.98 121.53 1xqq s PHE 4 Ca -0.04 1.21 0.00 0.00 0.12 0.00 0.00 56.93 58.22 1xqq s PHE 4 Cb -0.12 -2.67 0.06 0.00 -0.57 0.00 0.00 43.02 39.72 1xqq s PHE 4 CO 0.03 0.26 -0.03 0.08 -0.10 0.00 0.00 175.22 175.46 1xqq s VAL 5 N 0.13 1.40 -0.04 -0.44 1.01 0.53 -0.46 120.40 122.54 1xqq s VAL 5 Ca 0.33 -1.19 -0.20 0.00 0.00 0.00 0.00 61.98 60.93 1xqq s VAL 5 Cb -0.18 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 1xqq s VAL 5 CO 0.17 -0.16 0.56 -0.75 0.00 0.00 0.00 175.10 174.92 1xqq s LYS 6 N 1.45 4.30 0.00 2.72 2.20 -0.30 0.87 119.74 130.98 1xqq s LYS 6 Ca -0.04 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 1xqq s LYS 6 Cb -0.19 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1xqq s LYS 6 CO -0.07 0.31 0.00 0.25 -0.36 0.00 0.00 175.35 175.48 1xqq n THR 7 N 3.00 0.00 0.08 3.43 -2.24 -0.11 -0.29 114.28 118.16 1xqq n THR 7 Ca -0.07 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.68 1xqq n THR 7 Cb 0.51 -1.52 -0.02 0.00 -2.10 0.00 0.00 70.33 67.20 1xqq n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xqq h LEU 8 N 0.00 -0.19 0.00 3.22 3.38 -1.87 -3.45 115.31 116.40 1xqq h LEU 8 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xqq h LEU 8 Cb 0.00 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xqq h LEU 8 CO 0.00 -0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.83 1xqq n THR 9 N -3.13 0.00 -2.67 0.22 -2.24 -1.26 -4.91 114.28 100.30 1xqq n THR 9 Ca -0.03 0.73 -0.05 0.00 -2.27 0.00 0.00 64.05 62.44 1xqq n THR 9 Cb 0.09 -1.55 0.09 0.00 -2.10 0.00 0.00 70.33 66.86 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 0.16 0.91 2.97 3.38 0.00 -1.26 -5.13 105.19 106.22 1xqq n GLY 10 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 0.13 0.25 -0.03 1.61 2.20 -1.26 -5.06 119.74 117.60 1xqq s LYS 11 Ca 0.13 -0.44 0.04 0.00 -0.36 0.00 0.00 55.97 55.34 1xqq s LYS 11 Cb 0.31 0.09 -0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1xqq s LYS 11 CO -0.08 -0.04 -0.13 0.99 -0.36 0.00 0.00 175.35 175.73 1xqq s THR 12 N -1.11 1.07 -0.24 3.43 2.01 -1.26 -0.93 115.64 118.61 1xqq s THR 12 Ca -0.12 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.27 1xqq s THR 12 Cb -0.07 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 1xqq s THR 12 CO -0.01 0.31 0.07 -0.63 -0.69 0.00 0.00 174.62 173.68 1xqq s ILE 13 N -0.02 4.41 -0.24 1.82 1.01 0.25 -4.90 121.20 123.53 1xqq s ILE 13 Ca -0.01 -0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.30 1xqq s ILE 13 Cb -0.08 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 1xqq s ILE 13 CO 0.01 0.36 0.60 -0.89 0.00 0.00 0.00 174.94 175.01 1xqq s THR 14 N 1.41 5.02 -0.07 2.92 2.01 -1.26 -0.34 115.64 125.32 1xqq s THR 14 Ca 0.05 1.07 0.05 0.00 0.31 0.00 0.00 61.69 63.18 1xqq s THR 14 Cb -0.15 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 1xqq s THR 14 CO 0.04 0.06 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.04 1xqq s LEU 15 N 2.32 2.16 -0.05 4.42 1.43 -0.22 -5.01 118.68 123.74 1xqq s LEU 15 Ca 0.25 -0.49 -0.21 0.00 -1.03 0.00 0.00 54.13 52.65 1xqq s LEU 15 Cb -0.16 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1xqq s LEU 15 CO 0.09 0.23 0.62 -1.61 0.23 0.00 0.00 176.35 175.91 1xqq s GLU 16 N -0.08 4.37 0.33 1.70 2.02 -1.26 -0.51 118.70 125.27 1xqq s GLU 16 Ca -0.06 0.74 0.03 0.00 0.02 0.00 0.00 54.97 55.71 1xqq s GLU 16 Cb -0.14 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 1xqq s GLU 16 CO 0.04 0.21 0.11 0.14 0.02 0.00 0.00 175.26 175.79 1xqq s VAL 17 N 0.36 0.64 0.03 2.63 -7.23 0.20 -4.94 120.40 112.09 1xqq s VAL 17 Ca 0.33 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.57 1xqq s VAL 17 Cb -0.17 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 1xqq s VAL 17 CO 0.16 0.00 -0.22 -1.61 -0.31 0.00 0.00 175.10 173.12 1xqq s GLU 18 N -3.86 1.55 0.47 4.82 2.02 -1.26 -0.05 118.70 122.39 1xqq s GLU 18 Ca 0.33 -0.93 0.18 0.00 0.02 0.00 0.00 54.97 54.58 1xqq s GLU 18 Cb 0.06 -1.63 1.14 0.00 0.10 0.00 0.00 34.13 33.79 1xqq s GLU 18 CO 0.15 0.43 2.02 -1.35 0.02 0.00 0.00 175.26 176.53 1xqq h PRO 19 N 5.05 0.00 -0.14 0.39 0.11 -1.95 -1.99 132.00 133.46 1xqq h PRO 19 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xqq h PRO 19 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xqq h PRO 19 CO 0.45 0.16 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 1xqq n SER 20 N -4.15 1.28 -4.79 -2.05 3.41 -1.26 -1.71 113.62 104.34 1xqq n SER 20 Ca -0.02 -1.67 -0.34 0.00 -0.26 0.00 0.00 58.87 56.58 1xqq n SER 20 Cb 0.24 -0.09 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xqq s ASP 21 N -1.52 5.90 0.53 4.04 1.01 -0.75 -4.86 116.67 121.03 1xqq s ASP 21 Ca 0.30 1.97 -0.10 0.00 0.71 0.00 0.00 52.55 55.42 1xqq s ASP 21 Cb 0.16 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1xqq s ASP 21 CO 0.24 -1.09 0.92 0.42 0.21 0.00 0.00 175.17 175.87 1xqq s THR 22 N -2.09 4.74 0.36 -1.27 -4.23 -1.26 -2.21 115.64 109.68 1xqq s THR 22 Ca 0.68 0.72 0.15 0.00 -1.18 0.00 0.00 61.69 62.05 1xqq s THR 22 Cb -0.19 -3.82 0.12 0.00 1.34 0.00 0.00 72.50 69.95 1xqq s THR 22 CO 0.29 -0.89 1.85 0.40 -0.54 0.00 0.00 174.62 175.72 1xqq h ILE 23 N 0.27 1.15 -1.01 2.99 1.08 -0.72 -0.97 117.51 120.30 1xqq h ILE 23 Ca -0.46 -1.21 0.24 0.00 -0.39 0.00 0.00 64.86 63.04 1xqq h ILE 23 Cb 1.19 1.67 -0.12 0.00 -3.07 0.00 0.00 36.82 36.50 1xqq h ILE 23 CO 0.62 0.34 0.61 -0.08 -0.69 0.00 0.00 178.15 178.94 1xqq h GLU 24 N 0.00 0.57 0.00 2.37 4.81 -1.44 -0.16 114.58 120.73 1xqq h GLU 24 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1xqq h GLU 24 Cb 0.64 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1xqq h GLU 24 CO 0.04 0.38 -0.79 -0.97 -0.73 0.00 0.00 179.01 176.94 1xqq h ASN 25 N 0.59 0.00 0.52 1.04 -1.24 -1.49 -2.62 115.58 112.37 1xqq h ASN 25 Ca 0.63 -0.14 -0.26 0.00 0.71 0.00 0.00 56.30 57.24 1xqq h ASN 25 Cb 1.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.26 1xqq h ASN 25 CO -0.44 0.07 -1.13 0.58 -1.29 0.00 0.00 177.43 175.22 1xqq h VAL 26 N 0.00 1.46 0.00 2.57 2.07 -1.07 -3.17 116.25 118.11 1xqq h VAL 26 Ca 0.00 -2.81 -0.09 0.00 0.82 0.00 0.00 66.70 64.61 1xqq h VAL 26 Cb 0.85 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1xqq h VAL 26 CO 0.00 0.83 -0.44 0.11 0.02 0.00 0.00 177.57 178.09 1xqq h LYS 27 N 0.13 0.00 -0.53 1.57 1.57 -0.95 -2.62 116.57 115.74 1xqq h LYS 27 Ca -0.11 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1xqq h LYS 27 Cb 1.82 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.10 1xqq h LYS 27 CO 0.19 0.44 0.35 0.00 -0.57 0.00 0.00 179.45 179.86 1xqq h ALA 28 N 1.56 1.84 0.00 3.86 0.00 -1.44 0.14 119.26 125.21 1xqq h ALA 28 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xqq h ALA 28 Cb 0.80 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xqq h ALA 28 CO 0.06 0.08 -0.40 0.87 0.00 0.00 0.00 179.25 179.86 1xqq h LYS 29 N 0.52 0.00 0.13 0.00 1.57 -1.49 -2.18 116.57 115.12 1xqq h LYS 29 Ca 0.23 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.73 1xqq h LYS 29 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1xqq h LYS 29 CO -0.06 0.00 -1.25 0.82 -0.57 0.00 0.00 179.45 178.39 1xqq h ILE 30 N 0.00 1.49 -0.11 1.86 2.04 -1.06 -2.91 117.51 118.81 1xqq h ILE 30 Ca 0.00 -3.06 0.04 0.00 1.00 0.00 0.00 64.86 62.84 1xqq h ILE 30 Cb 0.97 2.95 -0.05 0.00 -0.74 0.00 0.00 36.82 39.95 1xqq h ILE 30 CO 0.00 0.89 -0.19 -0.61 0.00 0.00 0.00 178.15 178.25 1xqq h GLN 31 N 0.07 -0.23 0.00 2.37 -0.00 -1.04 -0.96 115.11 115.32 1xqq h GLN 31 Ca -0.14 0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.44 1xqq h GLN 31 Cb 1.98 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 29.50 1xqq h GLN 31 CO 0.20 -0.16 -0.43 0.22 0.00 0.00 0.00 178.83 178.67 1xqq h ASP 32 N -0.24 0.00 0.22 -0.69 3.58 -1.44 -0.08 116.42 117.78 1xqq h ASP 32 Ca 0.09 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1xqq h ASP 32 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1xqq h ASP 32 CO -0.26 0.43 -0.11 0.50 -2.88 0.00 0.00 179.24 176.93 1xqq h LYS 33 N 0.00 -0.29 0.00 0.28 1.63 -1.50 -3.42 116.57 113.28 1xqq h LYS 33 Ca -0.00 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.69 1xqq h LYS 33 Cb 0.93 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.60 1xqq h LYS 33 CO 0.06 -0.03 -1.51 0.39 -3.45 0.00 0.00 179.45 174.90 1xqq n GLU 34 N -4.97 2.51 -1.64 1.90 -0.58 -0.39 -5.03 120.64 112.45 1xqq n GLU 34 Ca -0.06 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1xqq n GLU 34 Cb 0.20 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 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 2.48 0.52 3.66 0.62 0.00 -0.04 -5.00 105.19 107.42 1xqq n GLY 35 Ca -0.12 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.00 4.67 0.76 -0.61 1.01 -1.26 -4.98 121.20 118.79 1xqq s ILE 36 Ca 0.00 1.96 -0.13 0.00 0.00 0.00 0.00 60.65 62.48 1xqq s ILE 36 Cb 0.00 -4.31 0.06 0.00 0.01 0.00 0.00 42.46 38.22 1xqq s ILE 36 CO 0.00 -0.21 1.15 -2.84 0.00 0.00 0.00 174.94 173.04 1xqq s PRO 37 N 3.23 2.07 0.11 2.79 0.02 -1.26 -3.86 135.00 138.11 1xqq s PRO 37 Ca 0.44 1.52 0.16 0.00 0.02 0.00 0.00 61.00 63.14 1xqq s PRO 37 Cb -0.15 -1.85 0.71 0.00 0.02 0.00 0.00 34.50 33.24 1xqq s PRO 37 CO 0.07 -1.84 1.51 -2.30 -0.33 0.00 0.00 177.00 174.11 1xqq n PRO 38 N -3.13 0.08 0.08 5.54 -0.02 -1.26 -3.25 135.00 133.04 1xqq n PRO 38 Ca 0.12 0.37 -0.19 0.00 -2.02 0.00 0.00 63.50 61.77 1xqq n PRO 38 Cb 0.52 -1.66 -0.11 0.00 -0.02 0.00 0.00 33.50 32.22 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1xqq h ASP 39 N 0.00 0.74 -0.14 2.55 2.03 -2.02 -3.22 116.42 116.36 1xqq h ASP 39 Ca 0.00 -0.67 -0.02 0.00 -0.73 0.00 0.00 57.03 55.62 1xqq h ASP 39 Cb 0.24 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.50 1xqq h ASP 39 CO 0.00 1.48 0.04 -0.61 -1.03 0.00 0.00 179.24 179.13 1xqq h GLN 40 N 0.25 0.29 -6.31 4.15 4.15 -1.92 -3.45 115.11 112.26 1xqq h GLN 40 Ca -0.15 -0.04 -0.55 0.00 0.77 0.00 0.00 58.65 58.68 1xqq h GLN 40 Cb 1.83 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.45 1xqq h GLN 40 CO 0.21 0.28 0.89 -0.65 -1.93 0.00 0.00 178.83 177.63 1xqq s GLN 41 N -5.08 4.26 -0.13 1.69 -0.21 -1.22 -1.88 119.66 117.09 1xqq s GLN 41 Ca -0.06 1.94 -0.01 0.00 0.02 0.00 0.00 55.36 57.25 1xqq s GLN 41 Cb 0.16 -3.68 0.04 0.00 1.00 0.00 0.00 33.01 30.53 1xqq s GLN 41 CO 0.72 -0.65 -0.02 1.03 -2.12 0.00 0.00 175.29 174.25 1xqq s ARG 42 N 2.90 1.03 -0.33 2.91 1.81 0.32 -4.99 118.95 122.60 1xqq s ARG 42 Ca 0.64 -0.22 -0.21 0.00 -1.72 0.00 0.00 55.73 54.22 1xqq s ARG 42 Cb -0.30 -1.57 -0.00 0.00 -0.45 0.00 0.00 34.95 32.63 1xqq s ARG 42 CO 0.25 -0.39 0.67 -0.51 -0.68 0.00 0.00 175.30 174.64 1xqq s LEU 43 N 1.81 4.18 -0.10 2.53 1.43 -1.26 -0.26 118.68 127.00 1xqq s LEU 43 Ca 0.03 0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 1xqq s LEU 43 Cb -0.14 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.17 1xqq s LEU 43 CO -0.07 -0.57 0.28 -0.63 0.23 0.00 0.00 176.35 175.59 1xqq s ILE 44 N 2.75 5.28 -0.23 -0.59 -1.09 0.21 -1.82 121.20 125.71 1xqq s ILE 44 Ca 0.26 0.54 -0.02 0.00 -2.23 0.00 0.00 60.65 59.21 1xqq s ILE 44 Cb -0.14 -3.59 0.02 0.00 -1.58 0.00 0.00 42.46 37.16 1xqq s ILE 44 CO 0.14 0.52 -0.08 0.12 -1.23 0.00 0.00 174.94 174.40 1xqq s PHE 45 N -0.45 2.99 0.00 3.97 5.36 -0.47 -0.50 117.98 128.89 1xqq s PHE 45 Ca 0.18 -1.44 0.00 0.00 -0.96 0.00 0.00 56.93 54.72 1xqq s PHE 45 Cb -0.14 -2.04 0.00 0.00 -0.34 0.00 0.00 43.02 40.50 1xqq s PHE 45 CO 0.07 -0.70 0.00 0.00 -1.46 0.00 0.00 175.22 173.12 1xqq n ALA 46 N 4.69 0.00 -0.37 11.12 0.00 -1.26 -1.18 120.51 133.50 1xqq n ALA 46 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1xqq n ALA 46 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.04 3.80 0.00 0.00 -1.26 -4.99 105.19 102.78 1xqq n GLY 47 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1xqq n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 48 N -0.28 3.17 0.27 1.61 3.01 -0.33 -5.09 119.74 122.10 1xqq s LYS 48 Ca 0.00 -0.40 -0.29 0.00 -1.01 0.00 0.00 55.97 54.27 1xqq s LYS 48 Cb 0.00 -2.93 -0.10 0.00 -1.01 0.00 0.00 37.83 33.79 1xqq s LYS 48 CO 0.00 0.68 1.26 -1.14 0.51 0.00 0.00 175.35 176.66 1xqq s GLN 49 N -1.56 4.43 -0.27 1.68 0.74 -1.26 -1.36 119.66 122.05 1xqq s GLN 49 Ca 0.21 2.07 -0.07 0.00 0.05 0.00 0.00 55.36 57.62 1xqq s GLN 49 Cb -0.12 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 30.83 1xqq s GLN 49 CO 0.12 -0.12 0.08 -0.51 -0.55 0.00 0.00 175.29 174.30 1xqq s LEU 50 N -1.12 3.58 0.35 3.68 1.43 -0.76 -4.92 118.68 120.93 1xqq s LEU 50 Ca 0.51 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 53.09 1xqq s LEU 50 Cb -0.37 -1.91 -0.09 0.00 0.03 0.00 0.00 46.19 43.85 1xqq s LEU 50 CO 0.45 -0.09 0.76 -1.61 0.23 0.00 0.00 176.35 176.09 1xqq s GLU 51 N 1.58 3.97 0.15 1.70 2.02 -1.26 -4.56 118.70 122.30 1xqq s GLU 51 Ca 0.05 0.66 -0.17 0.00 0.02 0.00 0.00 54.97 55.53 1xqq s GLU 51 Cb -0.16 -2.40 0.05 0.00 0.10 0.00 0.00 34.13 31.72 1xqq s GLU 51 CO 0.03 0.10 1.71 -0.44 0.02 0.00 0.00 175.26 176.68 1xqq h ASP 52 N 2.00 -0.13 1.05 -0.19 5.19 -1.98 -3.13 116.42 119.23 1xqq h ASP 52 Ca -0.48 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1xqq h ASP 52 Cb 1.18 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1xqq h ASP 52 CO 0.65 -0.03 0.00 1.23 -3.12 0.00 0.00 179.24 177.97 1xqq h GLY 53 N 0.09 0.00 -0.72 2.75 0.00 -1.95 -0.77 103.07 102.47 1xqq h GLY 53 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.02 1xqq h GLY 53 CO -0.26 0.00 0.33 0.50 0.00 0.00 0.00 176.54 177.11 1xqq s ARG 54 N -3.38 1.26 0.37 4.80 1.81 -1.18 -4.79 118.95 117.84 1xqq s ARG 54 Ca 0.05 0.20 0.07 0.00 -1.72 0.00 0.00 55.73 54.33 1xqq s ARG 54 Cb 0.09 -1.86 -0.00 0.00 -0.45 0.00 0.00 34.95 32.73 1xqq s ARG 54 CO 0.49 -2.10 0.51 0.95 -0.68 0.00 0.00 175.30 174.48 1xqq s THR 55 N -3.37 3.60 0.20 0.02 -4.23 -1.26 -1.65 115.64 108.94 1xqq s THR 55 Ca 0.64 -1.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.05 1xqq s THR 55 Cb -0.13 -3.23 0.13 0.00 1.34 0.00 0.00 72.50 70.61 1xqq s THR 55 CO 0.52 -0.09 1.75 -0.07 -0.54 0.00 0.00 174.62 176.19 1xqq h LEU 56 N 0.78 0.23 -0.52 4.79 3.38 -1.44 -2.13 115.31 120.40 1xqq h LEU 56 Ca -0.43 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 1xqq h LEU 56 Cb 1.27 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1xqq h LEU 56 CO 0.49 0.15 -0.18 -1.28 0.09 0.00 0.00 178.44 177.71 1xqq h SER 57 N 0.41 0.00 -0.09 -0.43 0.87 -1.56 0.33 113.55 113.08 1xqq h SER 57 Ca 0.29 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 1xqq h SER 57 Cb 0.33 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1xqq h SER 57 CO -0.28 0.18 -0.02 0.44 -0.53 0.00 0.00 176.83 176.61 1xqq h ASP 58 N 0.00 0.18 -0.09 6.23 3.32 -1.75 -3.23 116.42 121.08 1xqq h ASP 58 Ca -0.00 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1xqq h ASP 58 Cb 0.95 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1xqq h ASP 58 CO 0.02 0.51 0.00 -1.22 -1.72 0.00 0.00 179.24 176.83 1xqq n TYR 59 N -4.78 0.12 -3.12 4.55 4.01 -0.84 -4.92 117.16 112.17 1xqq n TYR 59 Ca -0.07 -0.06 -0.14 0.00 -0.16 0.00 0.00 57.90 57.47 1xqq n TYR 59 Cb 0.23 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.32 1xqq n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xqq n ASN 60 N -0.19 -3.37 -4.45 7.72 4.13 -0.82 -4.98 115.26 113.30 1xqq n ASN 60 Ca 0.14 -0.41 -0.43 0.00 1.68 0.00 0.00 54.58 55.56 1xqq n ASN 60 Cb 0.20 -3.72 -0.09 0.00 -1.54 0.00 0.00 39.78 34.63 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xqq s ILE 61 N -3.24 5.15 0.16 2.41 1.01 0.11 -5.02 121.20 121.79 1xqq s ILE 61 Ca 0.18 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1xqq s ILE 61 Cb -0.08 -4.05 0.02 0.00 0.01 0.00 0.00 42.46 38.36 1xqq s ILE 61 CO 0.51 -0.46 0.14 0.00 0.00 0.00 0.00 174.94 175.14 1xqq n GLN 62 N 5.44 1.18 -2.43 2.79 1.13 -1.26 -4.49 117.38 119.74 1xqq n GLN 62 Ca -0.09 -1.00 -0.41 0.00 -1.94 0.00 0.00 57.00 53.56 1xqq n GLN 62 Cb 0.46 0.07 -0.04 0.00 0.11 0.00 0.00 30.24 30.85 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1xqq s LYS 63 N -2.69 4.51 -0.99 -1.09 -2.85 -1.26 -3.06 119.74 112.32 1xqq s LYS 63 Ca 0.11 1.81 -0.00 0.00 -1.00 0.00 0.00 55.97 56.89 1xqq s LYS 63 Cb -0.01 -3.27 0.00 0.00 -2.06 0.00 0.00 37.83 32.49 1xqq s LYS 63 CO 0.07 -0.06 0.01 0.39 0.10 0.00 0.00 175.35 175.86 1xqq n GLU 64 N 2.68 -1.00 -1.65 1.78 1.02 0.12 -4.98 120.64 118.61 1xqq n GLU 64 Ca 0.05 0.56 -0.38 0.00 -0.02 0.00 0.00 57.16 57.37 1xqq n GLU 64 Cb 0.45 -4.70 0.05 0.00 -0.02 0.00 0.00 31.44 27.23 1xqq n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xqq n SER 65 N -0.24 1.22 -4.34 1.62 2.88 -1.17 -4.74 113.62 108.85 1xqq n SER 65 Ca -0.13 0.84 -0.39 0.00 -1.33 0.00 0.00 58.87 57.85 1xqq n SER 65 Cb 0.60 -1.44 -0.12 0.00 -0.75 0.00 0.00 64.21 62.51 1xqq n SER 65 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1xqq s THR 66 N -1.46 4.22 -0.02 2.46 2.01 -1.26 -1.15 115.64 120.45 1xqq s THR 66 Ca 0.76 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.81 1xqq s THR 66 Cb -0.42 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1xqq s THR 66 CO 0.46 -0.16 0.20 -0.76 -0.69 0.00 0.00 174.62 173.67 1xqq s LEU 67 N 1.50 4.37 -0.30 4.42 1.43 0.39 -4.70 118.68 125.80 1xqq s LEU 67 Ca 0.01 0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 53.42 1xqq s LEU 67 Cb -0.19 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 1xqq s LEU 67 CO 0.05 0.27 0.13 -1.00 0.23 0.00 0.00 176.35 176.04 1xqq s HIS 68 N -1.29 3.16 -0.34 0.29 3.76 0.34 -1.14 115.29 120.06 1xqq s HIS 68 Ca 0.26 -0.51 -0.16 0.00 -0.15 0.00 0.00 55.06 54.49 1xqq s HIS 68 Cb -0.13 -2.33 -0.01 0.00 1.11 0.00 0.00 32.58 31.23 1xqq s HIS 68 CO 0.17 -0.42 0.43 -1.17 -0.85 0.00 0.00 174.74 172.89 1xqq s LEU 69 N 1.62 4.39 -0.01 0.89 2.96 0.60 0.66 118.68 129.80 1xqq s LEU 69 Ca 0.05 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1xqq s LEU 69 Cb -0.17 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 1xqq s LEU 69 CO 0.06 -0.40 -0.03 0.68 -1.32 0.00 0.00 176.35 175.35 1xqq s VAL 70 N 2.18 3.96 0.08 1.68 -7.23 0.64 -4.17 120.40 117.53 1xqq s VAL 70 Ca 0.15 -0.63 0.08 0.00 -1.81 0.00 0.00 61.98 59.77 1xqq s VAL 70 Cb -0.16 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.01 1xqq s VAL 70 CO 0.12 0.41 -0.22 -0.76 -0.31 0.00 0.00 175.10 174.35 1xqq s LEU 71 N -1.42 2.25 0.16 1.32 1.43 -1.26 -0.52 118.68 120.64 1xqq s LEU 71 Ca 0.18 -0.63 -0.25 0.00 -1.03 0.00 0.00 54.13 52.40 1xqq s LEU 71 Cb -0.11 -0.96 -0.08 0.00 0.03 0.00 0.00 46.19 45.06 1xqq s LEU 71 CO 0.08 0.12 0.78 -0.60 0.23 0.00 0.00 176.35 176.96 1xqq s ARG 72 N -1.61 4.57 -0.06 1.70 3.52 -0.79 -4.94 118.95 121.34 1xqq s ARG 72 Ca 0.08 1.16 -0.30 0.00 -0.13 0.00 0.00 55.73 56.54 1xqq s ARG 72 Cb -0.10 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 29.99 1xqq s ARG 72 CO 0.03 0.55 1.23 -1.17 -0.81 0.00 0.00 175.30 175.13 1xqq s LEU 73 N -1.06 4.28 0.00 -0.88 2.96 -1.26 -4.81 118.68 117.91 1xqq s LEU 73 Ca 0.36 1.84 0.00 0.00 -0.22 0.00 0.00 54.13 56.11 1xqq s LEU 73 Cb -0.23 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1xqq s LEU 73 CO 0.26 -0.61 0.00 -1.14 -1.32 0.00 0.00 176.35 173.54 1xqq n ARG 74 N 5.31 0.48 0.00 1.98 0.63 -1.26 -5.11 116.66 118.69 1xqq n ARG 74 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1xqq n ARG 74 Cb 0.46 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 32.43 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xqq n GLY 75 N 3.18 -0.83 0.00 5.14 0.00 -1.26 -5.34 105.19 106.08 1xqq n GLY 75 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93