#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 4.30 -0.05 3.17 -0.21 -1.26 -1.71 119.66 123.90 1xqq s GLN 2 Ca 0.00 0.68 0.04 0.00 0.02 0.00 0.00 55.36 56.10 1xqq s GLN 2 Cb 0.00 -3.35 -0.02 0.00 1.00 0.00 0.00 33.01 30.63 1xqq s GLN 2 CO 0.00 0.35 -0.16 0.96 -2.12 0.00 0.00 175.29 174.31 1xqq s ILE 3 N -0.09 2.88 -0.70 1.08 -4.36 -0.90 -0.99 121.20 118.12 1xqq s ILE 3 Ca 0.30 -0.79 -0.05 0.00 -0.26 0.00 0.00 60.65 59.86 1xqq s ILE 3 Cb -0.18 -2.12 0.18 0.00 1.25 0.00 0.00 42.46 41.60 1xqq s ILE 3 CO 0.16 0.58 0.55 -0.36 0.24 0.00 0.00 174.94 176.11 1xqq s PHE 4 N -0.63 3.53 -0.67 1.37 0.08 -0.70 -1.67 117.98 119.29 1xqq s PHE 4 Ca 0.09 -2.63 -0.27 0.00 0.12 0.00 0.00 56.93 54.24 1xqq s PHE 4 Cb -0.11 -3.32 0.01 0.00 -0.57 0.00 0.00 43.02 39.03 1xqq s PHE 4 CO 0.01 -0.85 1.49 0.08 -0.10 0.00 0.00 175.22 175.84 1xqq s VAL 5 N -0.22 3.61 0.34 -0.44 1.01 -0.88 -1.91 120.40 121.92 1xqq s VAL 5 Ca 0.19 0.38 -0.19 0.00 0.00 0.00 0.00 61.98 62.36 1xqq s VAL 5 Cb -0.17 -4.53 -0.10 0.00 0.00 0.00 0.00 36.38 31.59 1xqq s VAL 5 CO -0.05 -1.44 0.82 -0.54 0.00 0.00 0.00 175.10 173.89 1xqq s LYS 6 N 6.12 4.17 0.55 2.72 1.02 -0.54 -0.67 119.74 133.11 1xqq s LYS 6 Ca 0.48 0.91 0.07 0.00 0.02 0.00 0.00 55.97 57.46 1xqq s LYS 6 Cb -0.10 -2.46 0.07 0.00 -0.52 0.00 0.00 37.83 34.83 1xqq s LYS 6 CO 0.18 0.15 0.61 0.25 -0.92 0.00 0.00 175.35 175.62 1xqq n THR 7 N -0.19 0.00 -0.19 2.17 -2.24 -0.19 0.43 114.28 114.07 1xqq n THR 7 Ca 0.04 -1.97 -0.10 0.00 -2.27 0.00 0.00 64.05 59.75 1xqq n THR 7 Cb 0.53 -0.32 0.01 0.00 -2.10 0.00 0.00 70.33 68.45 1xqq n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xqq h LEU 8 N 0.00 0.94 0.16 3.22 5.85 -1.89 -3.39 115.31 120.20 1xqq h LEU 8 Ca -0.29 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 1xqq h LEU 8 Cb 1.21 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1xqq h LEU 8 CO 0.44 1.02 -0.08 0.71 -0.34 0.00 0.00 178.44 180.20 1xqq h THR 9 N 0.83 0.00 0.00 1.05 1.35 -1.96 -3.49 112.91 110.70 1xqq h THR 9 Ca 0.15 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1xqq h THR 9 Cb 0.55 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.97 1xqq h THR 9 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1xqq n GLY 10 N 0.58 0.00 3.75 5.82 0.00 -1.26 -5.15 105.19 108.92 1xqq n GLY 10 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.87 -0.27 1.61 2.20 -1.26 -4.97 119.74 119.91 1xqq s LYS 11 Ca 0.00 -0.64 0.02 0.00 -0.36 0.00 0.00 55.97 54.99 1xqq s LYS 11 Cb 0.00 -2.73 0.07 0.00 -1.51 0.00 0.00 37.83 33.67 1xqq s LYS 11 CO 0.00 0.60 -0.02 0.99 -0.36 0.00 0.00 175.35 176.56 1xqq s THR 12 N -1.26 1.73 -0.58 3.43 2.01 -1.26 -1.02 115.64 118.68 1xqq s THR 12 Ca 0.25 -1.58 -0.21 0.00 0.31 0.00 0.00 61.69 60.45 1xqq s THR 12 Cb -0.12 -2.07 0.07 0.00 0.01 0.00 0.00 72.50 70.39 1xqq s THR 12 CO 0.17 -0.29 0.82 -0.63 -0.69 0.00 0.00 174.62 174.00 1xqq s ILE 13 N 1.26 4.58 -0.20 1.82 1.01 0.16 -4.87 121.20 124.96 1xqq s ILE 13 Ca -0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 60.65 60.00 1xqq s ILE 13 Cb -0.19 -4.51 0.00 0.00 0.01 0.00 0.00 42.46 37.77 1xqq s ILE 13 CO -0.09 -1.14 0.98 -0.89 0.00 0.00 0.00 174.94 173.80 1xqq s THR 14 N 3.39 4.75 -0.11 2.92 2.01 -1.26 -2.07 115.64 125.27 1xqq s THR 14 Ca 0.20 1.93 0.00 0.00 0.31 0.00 0.00 61.69 64.13 1xqq s THR 14 Cb -0.18 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.04 1xqq s THR 14 CO 0.12 -0.10 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.09 1xqq s LEU 15 N 2.76 2.92 -0.73 4.42 1.43 -0.67 -4.93 118.68 123.88 1xqq s LEU 15 Ca 0.43 -0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 53.11 1xqq s LEU 15 Cb -0.16 -1.65 0.08 0.00 0.03 0.00 0.00 46.19 44.49 1xqq s LEU 15 CO 0.10 0.24 1.03 -1.61 0.23 0.00 0.00 176.35 176.34 1xqq s GLU 16 N -0.10 3.22 0.46 1.70 2.02 -1.26 -2.11 118.70 122.63 1xqq s GLU 16 Ca -0.01 -0.97 0.03 0.00 0.02 0.00 0.00 54.97 54.05 1xqq s GLU 16 Cb -0.14 -4.39 -0.02 0.00 0.10 0.00 0.00 34.13 29.68 1xqq s GLU 16 CO 0.03 -1.85 0.05 0.14 0.02 0.00 0.00 175.26 173.65 1xqq s VAL 17 N 3.98 1.05 0.34 2.63 -7.23 -0.69 -4.88 120.40 115.59 1xqq s VAL 17 Ca 0.26 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 1xqq s VAL 17 Cb -0.14 -2.32 -0.06 0.00 0.56 0.00 0.00 36.38 34.43 1xqq s VAL 17 CO 0.06 0.00 0.07 -1.61 -0.31 0.00 0.00 175.10 173.31 1xqq s GLU 18 N -3.81 1.70 0.35 4.82 2.02 -1.26 -0.68 118.70 121.84 1xqq s GLU 18 Ca 0.15 -1.96 0.27 0.00 0.02 0.00 0.00 54.97 53.45 1xqq s GLU 18 Cb 0.03 -0.85 1.11 0.00 0.10 0.00 0.00 34.13 34.52 1xqq s GLU 18 CO 0.08 -0.23 1.80 -1.35 0.02 0.00 0.00 175.26 175.59 1xqq h PRO 19 N 2.06 0.00 -0.01 0.39 0.11 -1.98 -2.54 132.00 130.03 1xqq h PRO 19 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1xqq h PRO 19 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xqq h PRO 19 CO 0.68 0.00 -0.23 0.43 -0.21 0.00 0.00 178.00 178.67 1xqq n SER 20 N -2.51 1.48 -4.79 -2.05 7.64 -1.26 -1.91 113.62 110.21 1xqq n SER 20 Ca 0.02 -1.22 -0.33 0.00 1.01 0.00 0.00 58.87 58.35 1xqq n SER 20 Cb 0.25 0.17 0.02 0.00 -1.01 0.00 0.00 64.21 63.65 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 -2.36 5.54 0.30 6.43 1.11 -0.96 -4.85 116.67 121.88 1xqq s ASP 21 Ca 0.26 1.89 -0.02 0.00 0.18 0.00 0.00 52.55 54.85 1xqq s ASP 21 Cb 0.19 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.60 1xqq s ASP 21 CO 0.48 -1.33 0.53 0.42 1.18 0.00 0.00 175.17 176.44 1xqq s THR 22 N -2.40 5.08 0.38 -1.27 -4.23 -1.26 -1.89 115.64 110.05 1xqq s THR 22 Ca 0.65 -0.19 0.14 0.00 -1.18 0.00 0.00 61.69 61.11 1xqq s THR 22 Cb -0.18 -3.78 0.36 0.00 1.34 0.00 0.00 72.50 70.24 1xqq s THR 22 CO 0.38 -0.39 1.83 0.40 -0.54 0.00 0.00 174.62 176.31 1xqq h ILE 23 N 1.16 0.69 -0.91 2.99 1.08 -0.73 -2.19 117.51 119.61 1xqq h ILE 23 Ca -0.48 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 63.80 1xqq h ILE 23 Cb 1.20 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 1xqq h ILE 23 CO 0.65 0.10 0.56 -0.08 -0.69 0.00 0.00 178.15 178.69 1xqq h GLU 24 N 0.53 1.23 -0.25 2.37 4.81 -0.60 -1.15 114.58 121.51 1xqq h GLU 24 Ca 0.50 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 1xqq h GLU 24 Cb 1.08 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1xqq h GLU 24 CO -0.24 0.85 0.13 -0.91 -0.73 0.00 0.00 179.01 178.11 1xqq h ASN 25 N 1.25 0.32 -0.61 1.04 2.35 -1.70 -2.93 115.58 115.31 1xqq h ASN 25 Ca 0.33 -0.11 0.09 0.00 -0.55 0.00 0.00 56.30 56.07 1xqq h ASN 25 Cb -0.07 -0.08 -0.11 0.00 0.05 0.00 0.00 38.32 38.10 1xqq h ASN 25 CO -0.06 0.34 -0.42 0.58 -1.65 0.00 0.00 177.43 176.21 1xqq h VAL 26 N 0.28 0.09 -0.21 2.81 2.07 -0.80 -2.21 116.25 118.28 1xqq h VAL 26 Ca 0.09 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.50 1xqq h VAL 26 Cb 0.09 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1xqq h VAL 26 CO -0.01 0.00 -0.31 0.11 0.02 0.00 0.00 177.57 177.38 1xqq h LYS 27 N -0.20 0.43 -0.87 1.57 1.57 -1.28 -0.82 116.57 116.98 1xqq h LYS 27 Ca 0.19 -0.18 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1xqq h LYS 27 Cb 0.56 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 1xqq h LYS 27 CO -0.71 0.70 0.55 0.00 -0.57 0.00 0.00 179.45 179.43 1xqq h ALA 28 N 1.30 1.15 -0.15 3.86 0.00 -1.31 -0.88 119.26 123.22 1xqq h ALA 28 Ca 0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1xqq h ALA 28 Cb 0.73 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xqq h ALA 28 CO 0.06 0.38 -0.18 0.87 0.00 0.00 0.00 179.25 180.37 1xqq h LYS 29 N 1.06 0.25 -0.16 0.00 1.57 -0.67 0.26 116.57 118.88 1xqq h LYS 29 Ca 0.35 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.97 1xqq h LYS 29 Cb 0.04 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1xqq h LYS 29 CO -0.13 0.43 -0.27 0.82 -0.57 0.00 0.00 179.45 179.74 1xqq h ILE 30 N 0.23 1.35 0.09 1.86 2.04 -0.90 -0.96 117.51 121.21 1xqq h ILE 30 Ca 0.04 -1.50 0.01 0.00 1.00 0.00 0.00 64.86 64.41 1xqq h ILE 30 Cb 0.47 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1xqq h ILE 30 CO 0.03 0.45 -0.15 -0.61 0.00 0.00 0.00 178.15 177.88 1xqq h GLN 31 N 0.11 -0.28 -0.43 2.37 4.15 -1.05 -1.00 115.11 118.99 1xqq h GLN 31 Ca 0.01 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.54 1xqq h GLN 31 Cb 0.85 0.06 -0.09 0.00 0.21 0.00 0.00 27.48 28.51 1xqq h GLN 31 CO 0.06 -0.18 -0.27 0.22 -1.93 0.00 0.00 178.83 176.72 1xqq h ASP 32 N -0.29 -0.92 0.00 -0.69 3.58 -0.44 -2.71 116.42 114.95 1xqq h ASP 32 Ca 0.02 0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 1xqq h ASP 32 Cb 0.30 0.46 -0.00 0.00 1.72 0.00 0.00 39.33 41.81 1xqq h ASP 32 CO -0.08 -0.28 -0.18 0.50 -2.88 0.00 0.00 179.24 176.32 1xqq h LYS 33 N -0.19 0.00 0.00 0.28 3.64 -1.15 -3.41 116.57 115.74 1xqq h LYS 33 Ca 0.19 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 1xqq h LYS 33 Cb 0.50 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1xqq h LYS 33 CO -0.54 0.21 -1.11 1.49 -2.27 0.00 0.00 179.45 177.23 1xqq h GLU 34 N -1.00 0.00 0.00 1.90 4.57 -1.36 -3.49 114.58 115.20 1xqq h GLU 34 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1xqq h GLU 34 Cb 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1xqq h GLU 34 CO -0.01 0.36 0.00 0.41 -1.18 0.00 0.00 179.01 178.59 1xqq n GLY 35 N 1.34 0.77 3.69 1.92 0.00 -0.97 -5.03 105.19 106.91 1xqq n GLY 35 Ca -0.06 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 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 5.30 0.48 -0.61 1.01 -1.24 -4.92 121.20 119.21 1xqq s ILE 36 Ca 0.00 0.47 -0.16 0.00 0.00 0.00 0.00 60.65 60.96 1xqq s ILE 36 Cb 0.00 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.78 1xqq s ILE 36 CO 0.00 0.34 0.94 -2.16 0.00 0.00 0.00 174.94 174.05 1xqq s PRO 37 N 0.88 3.95 0.44 2.79 0.04 -1.26 -3.35 135.00 138.48 1xqq s PRO 37 Ca 0.14 0.87 0.29 0.00 0.04 0.00 0.00 61.00 62.35 1xqq s PRO 37 Cb -0.13 -2.19 1.14 0.00 0.04 0.00 0.00 34.50 33.35 1xqq s PRO 37 CO 0.05 -0.19 1.86 -1.00 0.04 0.00 0.00 177.00 177.76 1xqq h PRO 38 N 1.11 0.00 0.00 0.56 0.13 -1.97 -0.82 132.00 131.01 1xqq h PRO 38 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1xqq h PRO 38 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1xqq h PRO 38 CO 0.62 0.00 -0.21 -0.44 -0.23 0.00 0.00 178.00 177.74 1xqq h ASP 39 N 0.00 0.00 0.15 1.44 3.32 -1.92 -3.13 116.42 116.28 1xqq h ASP 39 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xqq h ASP 39 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1xqq h ASP 39 CO 0.00 0.21 -0.20 0.00 -1.72 0.00 0.00 179.24 177.53 1xqq n GLN 40 N -3.28 1.11 -3.13 3.56 6.02 -0.31 -3.79 117.38 117.57 1xqq n GLN 40 Ca 0.01 -0.68 -0.44 0.00 -0.01 0.00 0.00 57.00 55.87 1xqq n GLN 40 Cb 0.48 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.20 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 -2.36 3.08 -0.62 -1.09 -0.21 -1.19 -0.92 119.66 116.36 1xqq s GLN 41 Ca 0.28 -1.10 -0.21 0.00 0.02 0.00 0.00 55.36 54.34 1xqq s GLN 41 Cb 0.20 -4.18 0.08 0.00 1.00 0.00 0.00 33.01 30.10 1xqq s GLN 41 CO 0.47 -1.39 0.85 1.03 -2.12 0.00 0.00 175.29 174.12 1xqq s ARG 42 N 2.69 3.10 -0.48 2.91 0.52 -0.38 -4.97 118.95 122.33 1xqq s ARG 42 Ca 0.13 -0.99 -0.18 0.00 -0.52 0.00 0.00 55.73 54.17 1xqq s ARG 42 Cb -0.22 -4.23 0.05 0.00 0.52 0.00 0.00 34.95 31.07 1xqq s ARG 42 CO 0.09 -1.67 0.56 -1.17 0.02 0.00 0.00 175.30 173.14 1xqq s LEU 43 N 3.47 4.97 -0.17 2.53 2.96 -1.26 -1.27 118.68 129.90 1xqq s LEU 43 Ca 0.18 -0.85 -0.03 0.00 -0.22 0.00 0.00 54.13 53.22 1xqq s LEU 43 Cb -0.20 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 1xqq s LEU 43 CO 0.09 -0.79 -0.06 -0.63 -1.32 0.00 0.00 176.35 173.64 1xqq s ILE 44 N 2.44 3.54 -0.25 6.68 1.01 0.37 -4.00 121.20 130.97 1xqq s ILE 44 Ca 0.14 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.33 1xqq s ILE 44 Cb -0.19 -2.55 0.05 0.00 0.01 0.00 0.00 42.46 39.78 1xqq s ILE 44 CO 0.12 0.48 -0.10 0.12 0.00 0.00 0.00 174.94 175.56 1xqq s PHE 45 N 0.67 3.18 0.00 3.97 5.36 -0.87 -1.43 117.98 128.86 1xqq s PHE 45 Ca -0.03 -2.10 0.00 0.00 -0.96 0.00 0.00 56.93 53.84 1xqq s PHE 45 Cb -0.15 -1.97 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 1xqq s PHE 45 CO 0.02 -0.85 0.00 0.00 -1.46 0.00 0.00 175.22 172.94 1xqq n ALA 46 N 4.51 0.00 -1.81 11.12 0.00 -1.26 -1.02 120.51 132.04 1xqq n ALA 46 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.31 1xqq n ALA 46 Cb 0.44 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 1.53 3.74 0.00 0.00 -1.26 -5.01 105.19 104.19 1xqq n GLY 47 Ca 0.00 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.66 4.45 -0.18 1.61 1.02 -0.19 -5.08 119.74 120.70 1xqq s LYS 48 Ca 0.09 0.96 -0.17 0.00 0.02 0.00 0.00 55.97 56.87 1xqq s LYS 48 Cb 0.08 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 1xqq s LYS 48 CO -0.00 0.26 0.45 -1.14 -0.92 0.00 0.00 175.35 174.00 1xqq s GLN 49 N 0.08 4.21 -0.02 1.68 0.74 -1.26 -2.04 119.66 123.05 1xqq s GLN 49 Ca 0.37 0.32 -0.05 0.00 0.05 0.00 0.00 55.36 56.04 1xqq s GLN 49 Cb -0.19 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.35 1xqq s GLN 49 CO 0.21 -0.03 0.21 -0.51 -0.55 0.00 0.00 175.29 174.62 1xqq s LEU 50 N 1.27 4.37 0.10 3.68 1.43 -1.26 -5.03 118.68 123.25 1xqq s LEU 50 Ca 0.22 0.46 0.07 0.00 -1.03 0.00 0.00 54.13 53.85 1xqq s LEU 50 Cb -0.15 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1xqq s LEU 50 CO 0.09 0.28 -0.10 -0.70 0.23 0.00 0.00 176.35 176.15 1xqq s GLU 51 N -1.70 2.14 0.10 1.70 2.12 -1.26 -4.96 118.70 116.83 1xqq s GLU 51 Ca 0.25 -1.01 -0.21 0.00 0.36 0.00 0.00 54.97 54.36 1xqq s GLU 51 Cb -0.13 -2.31 -0.11 0.00 0.26 0.00 0.00 34.13 31.85 1xqq s GLU 51 CO 0.15 0.51 1.75 -0.44 -0.54 0.00 0.00 175.26 176.69 1xqq h ASP 52 N 3.68 0.13 -0.34 -1.70 5.19 -1.98 -2.95 116.42 118.45 1xqq h ASP 52 Ca -0.49 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 1xqq h ASP 52 Cb 1.17 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1xqq h ASP 52 CO 0.52 0.11 0.00 0.61 -3.12 0.00 0.00 179.24 177.36 1xqq n GLY 53 N -1.08 0.87 3.86 2.75 0.00 -1.26 0.10 105.19 110.44 1xqq n GLY 53 Ca -0.05 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.55 3.90 0.69 1.61 1.81 -1.11 -4.89 118.95 119.40 1xqq s ARG 54 Ca 0.31 0.47 -0.07 0.00 -1.72 0.00 0.00 55.73 54.72 1xqq s ARG 54 Cb 0.17 -2.55 0.05 0.00 -0.45 0.00 0.00 34.95 32.17 1xqq s ARG 54 CO 0.23 0.24 1.01 0.95 -0.68 0.00 0.00 175.30 177.05 1xqq s THR 55 N -1.89 2.65 0.12 0.02 -4.23 -1.26 -1.23 115.64 109.81 1xqq s THR 55 Ca 0.51 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 1xqq s THR 55 Cb -0.11 -3.13 -0.14 0.00 1.34 0.00 0.00 72.50 70.46 1xqq s THR 55 CO 0.19 -0.15 1.34 -0.07 -0.54 0.00 0.00 174.62 175.39 1xqq h LEU 56 N -0.54 0.89 -0.52 4.79 3.38 -1.50 -3.23 115.31 118.59 1xqq h LEU 56 Ca -0.45 -0.57 -0.14 0.00 0.09 0.00 0.00 57.88 56.82 1xqq h LEU 56 Cb 1.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1xqq h LEU 56 CO 0.61 1.36 -0.27 -1.28 0.09 0.00 0.00 178.44 178.95 1xqq h SER 57 N 0.53 0.96 -0.26 -0.43 0.87 -1.60 0.21 113.55 113.82 1xqq h SER 57 Ca -0.04 -0.38 -0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1xqq h SER 57 Cb 1.36 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1xqq h SER 57 CO 0.15 1.16 0.15 -0.78 -0.53 0.00 0.00 176.83 176.98 1xqq h ASP 58 N 0.79 0.33 1.03 6.23 3.58 -1.84 0.51 116.42 127.03 1xqq h ASP 58 Ca 0.09 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1xqq h ASP 58 Cb 0.83 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1xqq h ASP 58 CO 0.07 0.27 -0.28 -1.22 -2.88 0.00 0.00 179.24 175.20 1xqq n TYR 59 N -4.47 0.47 -1.74 0.28 4.01 -0.96 -4.95 117.16 109.81 1xqq n TYR 59 Ca 0.01 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1xqq n TYR 59 Cb 0.09 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 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 -1.93 -1.35 -4.58 7.72 3.02 0.17 -5.02 115.26 113.28 1xqq n ASN 60 Ca 0.05 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.17 1xqq n ASN 60 Cb 0.40 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xqq s ILE 61 N -2.00 4.26 0.70 2.41 1.01 0.64 -4.93 121.20 123.29 1xqq s ILE 61 Ca 0.00 1.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.64 1xqq s ILE 61 Cb 0.00 -4.57 0.14 0.00 0.01 0.00 0.00 42.46 38.04 1xqq s ILE 61 CO 0.00 -1.02 0.97 0.00 0.00 0.00 0.00 174.94 174.89 1xqq n GLN 62 N 7.73 -0.22 -1.82 2.79 6.02 -1.26 -4.46 117.38 126.16 1xqq n GLN 62 Ca 0.10 -2.43 -0.35 0.00 -0.01 0.00 0.00 57.00 54.31 1xqq n GLN 62 Cb 0.49 -0.70 0.05 0.00 1.02 0.00 0.00 30.24 31.10 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 -5.01 2.71 -1.18 -1.09 -2.85 -1.26 -3.86 119.74 107.20 1xqq s LYS 63 Ca 0.62 1.77 0.00 0.00 -1.00 0.00 0.00 55.97 57.36 1xqq s LYS 63 Cb -0.03 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 1xqq s LYS 63 CO 0.42 -1.40 0.00 0.39 0.10 0.00 0.00 175.35 174.86 1xqq n GLU 64 N -2.00 -0.81 -2.51 1.78 1.02 -0.16 -4.99 120.64 112.96 1xqq n GLU 64 Ca 0.13 0.88 -0.42 0.00 -0.02 0.00 0.00 57.16 57.73 1xqq n GLU 64 Cb 0.50 -4.87 -0.03 0.00 -0.02 0.00 0.00 31.44 27.03 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 -2.85 7.10 -0.36 1.62 0.01 -1.25 -4.81 113.70 113.16 1xqq s SER 65 Ca 0.00 1.77 -0.29 0.00 1.31 0.00 0.00 55.95 58.74 1xqq s SER 65 Cb 0.00 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.68 1xqq s SER 65 CO 0.00 -0.54 1.23 -0.89 0.41 0.00 0.00 173.24 173.45 1xqq s THR 66 N 2.04 4.20 0.27 1.44 2.01 -1.26 -1.71 115.64 122.63 1xqq s THR 66 Ca 0.54 1.32 0.07 0.00 0.31 0.00 0.00 61.69 63.94 1xqq s THR 66 Cb -0.24 -4.33 -0.03 0.00 0.01 0.00 0.00 72.50 67.91 1xqq s THR 66 CO 0.22 -0.65 0.22 -0.76 -0.69 0.00 0.00 174.62 172.96 1xqq s LEU 67 N 4.39 3.76 -0.14 4.42 1.02 -0.80 -4.69 118.68 126.64 1xqq s LEU 67 Ca 0.53 -0.31 -0.05 0.00 0.02 0.00 0.00 54.13 54.32 1xqq s LEU 67 Cb -0.13 -2.32 -0.03 0.00 0.02 0.00 0.00 46.19 43.73 1xqq s LEU 67 CO 0.25 -0.11 0.01 -1.00 0.02 0.00 0.00 176.35 175.52 1xqq s HIS 68 N -2.18 3.16 -0.36 0.29 3.76 -0.52 -1.47 115.29 117.97 1xqq s HIS 68 Ca 0.35 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 1xqq s HIS 68 Cb -0.07 -1.95 0.10 0.00 1.11 0.00 0.00 32.58 31.76 1xqq s HIS 68 CO 0.25 0.19 0.11 -1.17 -0.85 0.00 0.00 174.74 173.27 1xqq s LEU 69 N -0.01 4.83 -0.05 0.89 2.96 0.17 -0.48 118.68 126.98 1xqq s LEU 69 Ca 0.04 -1.96 -0.05 0.00 -0.22 0.00 0.00 54.13 51.94 1xqq s LEU 69 Cb -0.13 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1xqq s LEU 69 CO 0.02 -0.43 0.17 -0.69 -1.32 0.00 0.00 176.35 174.09 1xqq s VAL 70 N 1.06 5.46 -0.01 1.68 1.01 -0.40 -3.38 120.40 125.82 1xqq s VAL 70 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1xqq s VAL 70 Cb -0.21 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1xqq s VAL 70 CO -0.05 0.44 0.14 -0.76 0.00 0.00 0.00 175.10 174.87 1xqq s LEU 71 N -1.57 4.16 0.00 3.92 1.43 -1.26 -1.25 118.68 124.11 1xqq s LEU 71 Ca 0.22 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1xqq s LEU 71 Cb -0.12 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1xqq s LEU 71 CO 0.13 0.27 0.00 -2.11 0.23 0.00 0.00 176.35 174.87 1xqq n ARG 72 N 1.10 3.39 -0.05 1.70 1.85 -0.10 -4.91 116.66 119.64 1xqq n ARG 72 Ca -0.12 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.62 1xqq n ARG 72 Cb 0.53 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.90 1xqq n ARG 72 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1xqq n LEU 73 N 0.00 1.40 0.00 2.89 0.00 -1.26 -4.61 117.00 115.42 1xqq n LEU 73 Ca 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 56.01 56.18 1xqq n LEU 73 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 43.42 42.89 1xqq n LEU 73 CO 0.00 -0.13 0.20 0.54 0.00 0.00 0.00 177.39 178.00 1xqq n ARG 74 N -3.92 0.50 0.00 1.96 1.74 -1.25 -4.00 116.66 111.70 1xqq n ARG 74 Ca -0.18 -1.30 0.00 0.00 -0.77 0.00 0.00 57.85 55.60 1xqq n ARG 74 Cb 0.48 1.44 0.00 0.00 -1.02 0.00 0.00 32.46 33.36 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xqq n GLY 75 N -0.29 1.57 0.00 -0.13 0.00 -1.26 -4.96 105.19 100.12 1xqq n GLY 75 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93