#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 4.03 0.22 3.17 -2.07 -1.26 -1.71 119.66 122.04 1xqq s GLN 2 Ca 0.00 0.84 0.02 0.00 -1.82 0.00 0.00 55.36 54.40 1xqq s GLN 2 Cb 0.00 -2.29 -0.05 0.00 -1.09 0.00 0.00 33.01 29.59 1xqq s GLN 2 CO 0.00 -0.02 0.05 0.96 -1.32 0.00 0.00 175.29 174.96 1xqq s ILE 3 N -2.23 0.63 -0.09 3.63 -4.36 0.18 0.48 121.20 119.43 1xqq s ILE 3 Ca 0.57 -1.99 0.04 0.00 -0.26 0.00 0.00 60.65 59.01 1xqq s ILE 3 Cb -0.10 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.21 1xqq s ILE 3 CO 0.21 -0.22 -0.23 -0.36 0.24 0.00 0.00 174.94 174.59 1xqq s PHE 4 N -3.70 2.40 -0.19 1.37 0.08 0.00 -0.60 117.98 117.34 1xqq s PHE 4 Ca 0.32 -0.94 -0.04 0.00 0.12 0.00 0.00 56.93 56.39 1xqq s PHE 4 Cb 0.07 -1.61 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 1xqq s PHE 4 CO 0.09 -0.38 -0.04 0.08 -0.10 0.00 0.00 175.22 174.88 1xqq s VAL 5 N 0.32 3.61 -0.12 -0.44 1.01 -0.53 -0.65 120.40 123.59 1xqq s VAL 5 Ca -0.17 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1xqq s VAL 5 Cb -0.17 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1xqq s VAL 5 CO 0.08 0.45 -0.04 -0.75 0.00 0.00 0.00 175.10 174.83 1xqq s LYS 6 N 0.99 3.33 1.00 2.72 2.20 0.70 -1.29 119.74 129.39 1xqq s LYS 6 Ca 0.00 -0.51 -0.13 0.00 -0.36 0.00 0.00 55.97 54.98 1xqq s LYS 6 Cb -0.15 -2.81 0.19 0.00 -1.51 0.00 0.00 37.83 33.55 1xqq s LYS 6 CO 0.01 0.42 1.10 0.95 -0.36 0.00 0.00 175.35 177.47 1xqq s THR 7 N -0.12 1.99 0.15 3.43 -4.23 -0.87 -2.22 115.64 113.76 1xqq s THR 7 Ca 0.02 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.62 1xqq s THR 7 Cb -0.13 -2.55 -0.16 0.00 1.34 0.00 0.00 72.50 71.00 1xqq s THR 7 CO 0.03 0.00 1.37 0.25 -0.54 0.00 0.00 174.62 175.72 1xqq h LEU 8 N -1.87 0.00 0.50 4.79 5.85 -1.90 -3.26 115.31 119.42 1xqq h LEU 8 Ca -0.54 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 1xqq h LEU 8 Cb 1.33 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 1xqq h LEU 8 CO 0.58 0.89 -0.31 0.71 -0.34 0.00 0.00 178.44 179.97 1xqq h THR 9 N 0.00 0.37 0.00 1.05 1.35 -1.97 -3.47 112.91 110.24 1xqq h THR 9 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1xqq h THR 9 Cb 1.59 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1xqq h THR 9 CO 0.12 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1xqq n GLY 10 N -1.44 0.03 3.75 5.82 0.00 -1.23 -5.15 105.19 106.97 1xqq n GLY 10 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 4.24 -0.20 1.61 2.20 -1.26 -4.85 119.74 121.49 1xqq s LYS 11 Ca 0.00 0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 55.93 1xqq s LYS 11 Cb 0.00 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 1xqq s LYS 11 CO 0.00 0.28 0.04 0.99 -0.36 0.00 0.00 175.35 176.30 1xqq s THR 12 N 0.24 4.40 -0.29 3.43 2.01 -1.26 -2.06 115.64 122.11 1xqq s THR 12 Ca 0.24 -0.16 -0.14 0.00 0.31 0.00 0.00 61.69 61.94 1xqq s THR 12 Cb -0.15 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 1xqq s THR 12 CO 0.10 0.43 0.33 -0.63 -0.69 0.00 0.00 174.62 174.15 1xqq s ILE 13 N 0.79 5.20 -0.05 1.82 1.01 -0.41 -5.00 121.20 124.57 1xqq s ILE 13 Ca 0.02 0.35 -0.27 0.00 0.00 0.00 0.00 60.65 60.75 1xqq s ILE 13 Cb -0.14 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1xqq s ILE 13 CO 0.02 0.12 0.88 -0.89 0.00 0.00 0.00 174.94 175.07 1xqq s THR 14 N 1.99 4.92 0.10 2.92 2.01 -1.26 -1.45 115.64 124.86 1xqq s THR 14 Ca 0.12 1.82 0.09 0.00 0.31 0.00 0.00 61.69 64.03 1xqq s THR 14 Cb -0.16 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 1xqq s THR 14 CO 0.11 0.16 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.21 1xqq s LEU 15 N 1.16 2.28 -0.21 4.42 1.43 0.24 -4.98 118.68 123.01 1xqq s LEU 15 Ca 0.46 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1xqq s LEU 15 Cb -0.19 -1.00 0.03 0.00 0.03 0.00 0.00 46.19 45.06 1xqq s LEU 15 CO 0.22 0.11 -0.15 -0.70 0.23 0.00 0.00 176.35 176.07 1xqq s GLU 16 N -1.79 2.81 0.32 1.70 2.56 -1.26 0.51 118.70 123.54 1xqq s GLU 16 Ca 0.09 -0.96 0.06 0.00 0.00 0.00 0.00 54.97 54.15 1xqq s GLU 16 Cb -0.10 -2.74 -0.02 0.00 2.00 0.00 0.00 34.13 33.27 1xqq s GLU 16 CO 0.04 -0.32 0.30 1.33 -0.56 0.00 0.00 175.26 176.04 1xqq n VAL 17 N 4.59 0.00 -4.38 3.70 0.24 -0.69 -4.94 118.33 116.85 1xqq n VAL 17 Ca -0.18 -2.22 -0.25 0.00 -2.04 0.00 0.00 64.34 59.65 1xqq n VAL 17 Cb 0.48 1.14 -0.09 0.00 -1.47 0.00 0.00 33.84 33.89 1xqq n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1xqq s GLU 18 N -3.20 1.88 0.00 7.34 0.41 -1.26 -0.06 118.70 123.80 1xqq s GLU 18 Ca 0.36 -1.54 0.06 0.00 -0.41 0.00 0.00 54.97 53.45 1xqq s GLU 18 Cb 0.01 -1.96 0.28 0.00 -1.78 0.00 0.00 34.13 30.69 1xqq s GLU 18 CO 0.26 0.37 1.16 -0.35 -0.49 0.00 0.00 175.26 176.21 1xqq n PRO 19 N -0.40 0.02 0.00 0.39 -0.04 -1.26 -2.27 135.00 131.45 1xqq n PRO 19 Ca -0.08 0.35 0.14 0.00 -0.04 0.00 0.00 63.50 63.87 1xqq n PRO 19 Cb 0.58 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 33.05 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xqq n SER 20 N -1.44 1.17 -4.93 3.54 7.64 -1.26 -1.79 113.62 116.55 1xqq n SER 20 Ca 0.02 -1.20 -0.25 0.00 1.01 0.00 0.00 58.87 58.45 1xqq n SER 20 Cb 0.07 0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.32 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 -2.19 5.67 0.62 6.43 1.01 -0.96 -4.86 116.67 122.39 1xqq s ASP 21 Ca 0.34 0.51 -0.04 0.00 0.71 0.00 0.00 52.55 54.06 1xqq s ASP 21 Cb 0.20 -1.60 0.04 0.00 1.01 0.00 0.00 42.92 42.57 1xqq s ASP 21 CO 0.41 -0.93 0.90 0.42 0.21 0.00 0.00 175.17 176.18 1xqq s THR 22 N -2.81 2.89 0.08 -1.27 -4.23 -1.26 -1.09 115.64 107.94 1xqq s THR 22 Ca 0.52 -0.29 0.16 0.00 -1.18 0.00 0.00 61.69 60.90 1xqq s THR 22 Cb -0.10 -3.17 0.08 0.00 1.34 0.00 0.00 72.50 70.64 1xqq s THR 22 CO 0.42 -0.16 1.60 0.40 -0.54 0.00 0.00 174.62 176.34 1xqq h ILE 23 N -0.26 0.98 -0.60 2.99 1.08 -1.25 -2.52 117.51 117.94 1xqq h ILE 23 Ca -0.44 -1.92 -0.01 0.00 -0.39 0.00 0.00 64.86 62.09 1xqq h ILE 23 Cb 1.29 2.16 -0.03 0.00 -3.07 0.00 0.00 36.82 37.17 1xqq h ILE 23 CO 0.58 0.47 0.32 -0.08 -0.69 0.00 0.00 178.15 178.75 1xqq h GLU 24 N 0.00 0.84 -0.27 2.37 4.81 -1.78 -1.70 114.58 118.85 1xqq h GLU 24 Ca -0.00 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 1xqq h GLU 24 Cb 1.12 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 1xqq h GLU 24 CO 0.06 0.65 -0.11 -0.91 -0.73 0.00 0.00 179.01 177.97 1xqq h ASN 25 N 0.81 0.42 -0.56 1.04 -0.26 -1.76 -0.54 115.58 114.74 1xqq h ASN 25 Ca 0.21 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1xqq h ASN 25 Cb 0.06 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.18 1xqq h ASN 25 CO -0.03 0.57 0.36 0.58 -1.06 0.00 0.00 177.43 177.85 1xqq h VAL 26 N 0.42 1.15 -0.04 2.81 2.07 -0.99 -1.41 116.25 120.26 1xqq h VAL 26 Ca 0.08 -0.28 -0.25 0.00 0.82 0.00 0.00 66.70 67.06 1xqq h VAL 26 Cb 0.44 0.34 0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1xqq h VAL 26 CO 0.02 0.14 -0.97 0.11 0.02 0.00 0.00 177.57 176.90 1xqq h LYS 27 N 0.75 0.72 0.00 1.57 1.57 -1.10 -2.75 116.57 117.33 1xqq h LYS 27 Ca 0.20 -0.72 -0.03 0.00 -1.87 0.00 0.00 60.65 58.23 1xqq h LYS 27 Cb -0.07 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1xqq h LYS 27 CO -0.04 1.30 -0.15 0.00 -0.57 0.00 0.00 179.45 179.99 1xqq h ALA 28 N 0.46 1.10 -0.36 3.86 0.00 -1.08 -0.76 119.26 122.47 1xqq h ALA 28 Ca -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1xqq h ALA 28 Cb 1.62 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1xqq h ALA 28 CO 0.19 0.19 0.11 -0.22 0.00 0.00 0.00 179.25 179.52 1xqq h LYS 29 N 0.00 0.56 -0.04 0.00 1.63 -0.97 -2.18 116.57 115.57 1xqq h LYS 29 Ca -0.00 -0.12 -0.08 0.00 -0.85 0.00 0.00 60.65 59.60 1xqq h LYS 29 Cb 0.54 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1xqq h LYS 29 CO 0.02 0.58 -0.34 0.82 -3.45 0.00 0.00 179.45 177.08 1xqq h ILE 30 N 0.43 1.26 -0.85 2.00 2.04 -1.25 -0.34 117.51 120.79 1xqq h ILE 30 Ca 0.12 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1xqq h ILE 30 Cb 0.25 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 1xqq h ILE 30 CO -0.00 0.35 0.54 -0.61 0.00 0.00 0.00 178.15 178.43 1xqq h GLN 31 N 0.07 1.14 0.58 2.37 4.15 -0.87 -1.10 115.11 121.45 1xqq h GLN 31 Ca 0.01 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 1xqq h GLN 31 Cb 0.63 -0.25 0.01 0.00 0.21 0.00 0.00 27.48 28.08 1xqq h GLN 31 CO 0.05 0.78 -0.28 -0.44 -1.93 0.00 0.00 178.83 177.01 1xqq h ASP 32 N 1.16 -0.66 0.70 -0.69 3.32 -1.09 -3.37 116.42 115.80 1xqq h ASP 32 Ca 0.31 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 1xqq h ASP 32 Cb -0.09 0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.64 1xqq h ASP 32 CO -0.06 -0.26 -0.34 0.11 -1.72 0.00 0.00 179.24 176.97 1xqq h LYS 33 N -1.19 -0.91 0.00 3.56 1.57 -1.01 -3.40 116.57 115.19 1xqq h LYS 33 Ca -0.08 0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1xqq h LYS 33 Cb 0.61 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1xqq h LYS 33 CO 0.13 -0.58 -0.76 0.93 -0.57 0.00 0.00 179.45 178.61 1xqq h GLU 34 N -1.12 0.00 0.00 3.15 4.39 -1.47 -3.50 114.58 116.03 1xqq h GLU 34 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1xqq h GLU 34 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1xqq h GLU 34 CO 0.16 0.47 0.00 0.41 -1.16 0.00 0.00 179.01 178.89 1xqq n GLY 35 N 1.55 1.66 3.55 -3.84 0.00 -0.77 -5.05 105.19 102.29 1xqq n GLY 35 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.66 5.24 0.60 -0.61 1.01 -1.24 -4.98 121.20 119.56 1xqq s ILE 36 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.42 1xqq s ILE 36 Cb 0.00 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1xqq s ILE 36 CO 0.00 0.10 1.07 -2.16 0.00 0.00 0.00 174.94 173.95 1xqq s PRO 37 N 1.73 3.23 0.50 2.79 0.05 -1.26 -3.53 135.00 138.50 1xqq s PRO 37 Ca 0.06 1.24 0.28 0.00 0.05 0.00 0.00 61.00 62.64 1xqq s PRO 37 Cb -0.17 -2.02 1.19 0.00 0.05 0.00 0.00 34.50 33.55 1xqq s PRO 37 CO 0.10 -0.89 1.93 -1.35 0.05 0.00 0.00 177.00 176.85 1xqq h PRO 38 N 0.38 0.00 -0.92 0.56 0.11 -1.93 -2.98 132.00 127.21 1xqq h PRO 38 Ca -0.47 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.76 1xqq h PRO 38 Cb 1.22 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 1xqq h PRO 38 CO 0.57 0.13 0.54 -0.44 -0.21 0.00 0.00 178.00 178.59 1xqq h ASP 39 N 0.00 0.77 0.40 -2.05 3.32 -1.94 -2.38 116.42 114.54 1xqq h ASP 39 Ca -0.00 0.06 -0.25 0.00 0.02 0.00 0.00 57.03 56.86 1xqq h ASP 39 Cb 0.59 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.06 1xqq h ASP 39 CO 0.02 0.39 -1.07 1.56 -1.72 0.00 0.00 179.24 178.42 1xqq h GLN 40 N 0.85 0.39 -6.28 3.56 4.20 -1.67 -3.43 115.11 112.73 1xqq h GLN 40 Ca 0.47 -0.50 -0.56 0.00 0.06 0.00 0.00 58.65 58.11 1xqq h GLN 40 Cb 0.51 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1xqq h GLN 40 CO -0.29 1.17 1.13 -0.65 -0.67 0.00 0.00 178.83 179.53 1xqq s GLN 41 N -3.05 3.80 -0.25 1.46 -0.21 -0.90 -0.89 119.66 119.63 1xqq s GLN 41 Ca -0.06 1.70 -0.09 0.00 0.02 0.00 0.00 55.36 56.93 1xqq s GLN 41 Cb 0.08 -4.04 -0.04 0.00 1.00 0.00 0.00 33.01 30.01 1xqq s GLN 41 CO 0.88 -1.29 0.12 1.03 -2.12 0.00 0.00 175.29 173.92 1xqq s ARG 42 N 4.68 3.85 -0.17 2.91 0.52 -0.02 -4.94 118.95 125.77 1xqq s ARG 42 Ca 0.72 -0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 55.45 1xqq s ARG 42 Cb -0.25 -3.46 -0.05 0.00 0.52 0.00 0.00 34.95 31.70 1xqq s ARG 42 CO 0.29 -0.11 0.17 -0.51 0.02 0.00 0.00 175.30 175.16 1xqq s LEU 43 N 1.47 4.26 -0.12 2.53 1.43 -1.26 -0.69 118.68 126.29 1xqq s LEU 43 Ca 0.06 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 1xqq s LEU 43 Cb -0.15 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 43.94 1xqq s LEU 43 CO 0.06 0.22 -0.14 -0.63 0.23 0.00 0.00 176.35 176.09 1xqq s ILE 44 N 0.04 1.46 -0.26 -0.59 -1.09 -0.60 -1.76 121.20 118.41 1xqq s ILE 44 Ca 0.11 -0.59 -0.08 0.00 -2.23 0.00 0.00 60.65 57.86 1xqq s ILE 44 Cb -0.12 -1.36 -0.03 0.00 -1.58 0.00 0.00 42.46 39.36 1xqq s ILE 44 CO 0.01 0.44 0.11 0.12 -1.23 0.00 0.00 174.94 174.38 1xqq s PHE 45 N 1.26 3.13 0.00 3.97 5.36 0.15 -0.75 117.98 131.10 1xqq s PHE 45 Ca -0.01 -0.26 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 1xqq s PHE 45 Cb -0.14 -2.28 0.00 0.00 -0.34 0.00 0.00 43.02 40.26 1xqq s PHE 45 CO -0.06 -0.30 0.00 0.00 -1.46 0.00 0.00 175.22 173.40 1xqq n ALA 46 N 4.97 0.00 -1.24 11.12 0.00 -1.26 -0.94 120.51 133.15 1xqq n ALA 46 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.32 1xqq n ALA 46 Cb 0.52 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 1.66 3.75 0.00 0.00 -1.26 -4.98 105.19 104.36 1xqq n GLY 47 Ca 0.00 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.06 4.19 -0.03 1.61 2.20 -0.11 -5.08 119.74 121.46 1xqq s LYS 48 Ca 0.10 0.16 -0.22 0.00 -0.36 0.00 0.00 55.97 55.66 1xqq s LYS 48 Cb 0.09 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 1xqq s LYS 48 CO 0.01 0.30 0.63 -1.14 -0.36 0.00 0.00 175.35 174.80 1xqq s GLN 49 N 0.25 4.38 -0.26 4.03 0.74 -1.26 -0.67 119.66 126.86 1xqq s GLN 49 Ca 0.18 0.79 -0.17 0.00 0.05 0.00 0.00 55.36 56.21 1xqq s GLN 49 Cb -0.14 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.56 1xqq s GLN 49 CO 0.06 0.25 0.48 -0.51 -0.55 0.00 0.00 175.29 175.02 1xqq s LEU 50 N 0.19 4.06 0.23 3.68 1.43 -0.72 -4.96 118.68 122.58 1xqq s LEU 50 Ca 0.33 0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 53.61 1xqq s LEU 50 Cb -0.18 -2.61 -0.09 0.00 0.03 0.00 0.00 46.19 43.35 1xqq s LEU 50 CO 0.17 -0.25 0.99 -0.70 0.23 0.00 0.00 176.35 176.79 1xqq s GLU 51 N 2.18 4.78 0.19 1.70 2.56 -1.26 -4.68 118.70 124.16 1xqq s GLU 51 Ca 0.20 1.56 -0.09 0.00 0.00 0.00 0.00 54.97 56.65 1xqq s GLU 51 Cb -0.16 -3.27 0.11 0.00 2.00 0.00 0.00 34.13 32.81 1xqq s GLU 51 CO 0.09 0.39 1.70 -0.44 -0.56 0.00 0.00 175.26 176.44 1xqq h ASP 52 N 4.34 1.06 -0.31 -1.70 5.19 -1.97 -2.96 116.42 120.06 1xqq h ASP 52 Ca -0.45 -0.24 -0.16 0.00 -0.62 0.00 0.00 57.03 55.56 1xqq h ASP 52 Cb 1.20 -0.28 -0.09 0.00 0.18 0.00 0.00 39.33 40.34 1xqq h ASP 52 CO 0.69 1.03 0.20 0.61 -3.12 0.00 0.00 179.24 178.64 1xqq n GLY 53 N -0.64 2.74 3.76 2.75 0.00 -1.26 -2.41 105.19 110.14 1xqq n GLY 53 Ca 0.05 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.12 2.51 0.46 1.61 1.81 -1.12 -5.02 118.95 118.08 1xqq s ARG 54 Ca 0.19 -1.42 0.01 0.00 -1.72 0.00 0.00 55.73 52.78 1xqq s ARG 54 Cb 0.16 -2.29 0.00 0.00 -0.45 0.00 0.00 34.95 32.37 1xqq s ARG 54 CO 0.04 0.16 0.68 0.95 -0.68 0.00 0.00 175.30 176.45 1xqq s THR 55 N -2.36 3.83 0.38 0.02 -4.23 -1.26 -2.52 115.64 109.50 1xqq s THR 55 Ca 0.37 -0.52 0.05 0.00 -1.18 0.00 0.00 61.69 60.42 1xqq s THR 55 Cb -0.04 -3.42 0.27 0.00 1.34 0.00 0.00 72.50 70.65 1xqq s THR 55 CO 0.24 -0.29 2.02 -0.07 -0.54 0.00 0.00 174.62 175.98 1xqq h LEU 56 N 0.36 0.60 -1.19 4.79 3.38 -1.12 -2.87 115.31 119.26 1xqq h LEU 56 Ca -0.46 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 1xqq h LEU 56 Cb 1.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1xqq h LEU 56 CO 0.57 0.42 -0.27 -1.28 0.09 0.00 0.00 178.44 177.97 1xqq h SER 57 N 0.70 0.21 -0.72 -0.43 0.87 -1.59 0.53 113.55 113.13 1xqq h SER 57 Ca 0.21 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 1xqq h SER 57 Cb -0.00 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1xqq h SER 57 CO -0.05 0.49 0.27 0.44 -0.53 0.00 0.00 176.83 177.45 1xqq h ASP 58 N 0.19 1.02 0.26 6.23 3.32 -1.81 -1.89 116.42 123.75 1xqq h ASP 58 Ca 0.03 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1xqq h ASP 58 Cb 0.59 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1xqq h ASP 58 CO 0.04 0.92 -0.18 -1.22 -1.72 0.00 0.00 179.24 177.08 1xqq n TYR 59 N -4.27 0.00 -3.71 4.55 4.01 -1.17 -4.96 117.16 111.60 1xqq n TYR 59 Ca 0.06 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.53 1xqq n TYR 59 Cb 0.20 -0.13 0.03 0.00 -0.31 0.00 0.00 39.34 39.12 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 -0.70 -3.60 -4.31 7.72 5.03 -0.71 -4.96 115.26 113.72 1xqq n ASN 60 Ca 0.14 -0.96 -0.43 0.00 0.87 0.00 0.00 54.58 54.20 1xqq n ASN 60 Cb 0.32 -3.56 -0.08 0.00 -1.02 0.00 0.00 39.78 35.44 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xqq s ILE 61 N -3.60 4.76 0.15 2.41 1.01 0.18 -4.99 121.20 121.12 1xqq s ILE 61 Ca 0.29 -1.34 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 1xqq s ILE 61 Cb -0.10 -3.93 0.03 0.00 0.01 0.00 0.00 42.46 38.47 1xqq s ILE 61 CO 0.85 -0.63 0.20 0.00 0.00 0.00 0.00 174.94 175.37 1xqq n GLN 62 N 5.08 0.32 -2.22 2.79 10.64 -1.26 -4.54 117.38 128.19 1xqq n GLN 62 Ca -0.11 -0.49 -0.39 0.00 -1.83 0.00 0.00 57.00 54.18 1xqq n GLN 62 Cb 0.42 -0.16 -0.01 0.00 -0.86 0.00 0.00 30.24 29.63 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1xqq s LYS 63 N -3.04 4.01 -1.50 2.61 -2.85 -1.26 -3.14 119.74 114.57 1xqq s LYS 63 Ca 0.13 1.93 0.00 0.00 -1.00 0.00 0.00 55.97 57.03 1xqq s LYS 63 Cb -0.01 -2.69 0.00 0.00 -2.06 0.00 0.00 37.83 33.08 1xqq s LYS 63 CO 0.09 -0.38 0.00 0.39 0.10 0.00 0.00 175.35 175.54 1xqq n GLU 64 N 0.06 -1.23 -3.53 1.78 1.02 0.18 -4.97 120.64 113.96 1xqq n GLU 64 Ca 0.04 0.88 -0.35 0.00 -0.02 0.00 0.00 57.16 57.71 1xqq n GLU 64 Cb 0.46 -5.20 -0.06 0.00 -0.02 0.00 0.00 31.44 26.62 1xqq n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xqq s SER 65 N -2.47 6.69 -0.19 1.62 0.15 -1.19 -4.77 113.70 113.55 1xqq s SER 65 Ca 0.00 0.86 -0.04 0.00 0.70 0.00 0.00 55.95 57.48 1xqq s SER 65 Cb 0.00 -2.21 -0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1xqq s SER 65 CO 0.00 0.18 -0.04 -0.89 1.20 0.00 0.00 173.24 173.69 1xqq s THR 66 N -1.37 3.58 -0.02 6.45 2.01 -1.26 -0.82 115.64 124.21 1xqq s THR 66 Ca 0.33 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 1xqq s THR 66 Cb -0.14 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 1xqq s THR 66 CO 0.18 0.45 0.34 -0.76 -0.69 0.00 0.00 174.62 174.13 1xqq s LEU 67 N 1.03 4.43 0.14 4.42 1.43 0.18 -4.77 118.68 125.54 1xqq s LEU 67 Ca 0.01 0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 53.74 1xqq s LEU 67 Cb -0.15 -2.52 -0.07 0.00 0.03 0.00 0.00 46.19 43.48 1xqq s LEU 67 CO 0.01 0.32 0.59 -2.28 0.23 0.00 0.00 176.35 175.22 1xqq s HIS 68 N -1.12 3.68 -0.18 0.29 5.65 0.07 -0.21 115.29 123.46 1xqq s HIS 68 Ca 0.23 1.20 0.01 0.00 0.25 0.00 0.00 55.06 56.74 1xqq s HIS 68 Cb -0.15 -2.46 0.02 0.00 -1.18 0.00 0.00 32.58 28.81 1xqq s HIS 68 CO 0.12 0.46 -0.19 -1.17 -0.65 0.00 0.00 174.74 173.31 1xqq s LEU 69 N -1.69 2.20 -0.13 8.88 2.96 -0.94 -1.55 118.68 128.40 1xqq s LEU 69 Ca 0.36 -0.65 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1xqq s LEU 69 Cb -0.17 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1xqq s LEU 69 CO 0.19 -0.00 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.48 1xqq s VAL 70 N 1.30 3.79 -0.30 1.68 1.01 0.13 -4.31 120.40 123.70 1xqq s VAL 70 Ca 0.05 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 1xqq s VAL 70 Cb -0.13 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1xqq s VAL 70 CO -0.12 0.52 0.28 -0.76 0.00 0.00 0.00 175.10 175.03 1xqq s LEU 71 N 0.07 4.16 0.56 3.92 1.43 -1.26 -0.84 118.68 126.71 1xqq s LEU 71 Ca -0.01 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1xqq s LEU 71 Cb -0.14 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.86 1xqq s LEU 71 CO 0.03 -0.17 0.79 0.00 0.23 0.00 0.00 176.35 177.23 1xqq s ARG 72 N 1.90 2.52 0.00 1.70 1.70 -0.07 -5.00 118.95 121.70 1xqq s ARG 72 Ca 0.10 -0.76 0.00 0.00 -0.47 0.00 0.00 55.73 54.60 1xqq s ARG 72 Cb -0.16 -2.47 0.00 0.00 -0.57 0.00 0.00 34.95 31.75 1xqq s ARG 72 CO 0.11 -0.75 0.00 -0.11 -1.08 0.00 0.00 175.30 173.48 1xqq n LEU 73 N -2.37 1.29 -3.70 -1.89 7.94 -1.26 -4.35 117.00 112.65 1xqq n LEU 73 Ca 0.08 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.85 1xqq n LEU 73 Cb 0.60 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.46 1xqq n LEU 73 CO 0.45 0.00 0.17 -0.60 -1.11 0.00 0.00 177.39 176.30 1xqq s ARG 74 N -0.01 0.61 0.00 1.96 3.52 -1.26 -4.10 118.95 119.67 1xqq s ARG 74 Ca 0.00 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.14 1xqq s ARG 74 Cb 0.00 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.68 1xqq s ARG 74 CO 0.00 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 1xqq n GLY 75 N 2.50 -1.82 0.00 8.12 0.00 -1.26 -5.13 105.19 107.60 1xqq n GLY 75 Ca -0.15 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93