#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 3.82 0.16 3.17 -0.21 -1.26 -1.72 119.66 123.62 1xqq s GLN 2 Ca 0.00 -0.35 0.10 0.00 0.02 0.00 0.00 55.36 55.13 1xqq s GLN 2 Cb 0.00 -3.14 -0.04 0.00 1.00 0.00 0.00 33.01 30.82 1xqq s GLN 2 CO 0.00 0.35 -0.24 0.96 -2.12 0.00 0.00 175.29 174.24 1xqq s ILE 3 N 0.15 2.17 -0.20 1.08 -4.36 -0.79 -1.69 121.20 117.56 1xqq s ILE 3 Ca 0.04 -1.87 -0.06 0.00 -0.26 0.00 0.00 60.65 58.50 1xqq s ILE 3 Cb -0.12 -1.97 -0.03 0.00 1.25 0.00 0.00 42.46 41.59 1xqq s ILE 3 CO 0.01 -0.07 0.02 -0.36 0.24 0.00 0.00 174.94 174.77 1xqq s PHE 4 N -1.47 3.08 -0.27 1.37 0.08 -0.66 -1.83 117.98 118.28 1xqq s PHE 4 Ca 0.16 -0.35 -0.05 0.00 0.12 0.00 0.00 56.93 56.81 1xqq s PHE 4 Cb -0.09 -2.10 0.01 0.00 -0.57 0.00 0.00 43.02 40.27 1xqq s PHE 4 CO 0.07 -0.18 0.02 0.08 -0.10 0.00 0.00 175.22 175.12 1xqq s VAL 5 N 0.96 3.56 -0.17 -0.44 1.01 -0.56 -0.40 120.40 124.36 1xqq s VAL 5 Ca 0.02 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 1xqq s VAL 5 Cb -0.14 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 1xqq s VAL 5 CO 0.02 0.16 0.22 -0.75 0.00 0.00 0.00 175.10 174.76 1xqq s LYS 6 N 1.44 4.19 0.83 2.72 2.20 0.70 -0.37 119.74 131.46 1xqq s LYS 6 Ca 0.02 -0.03 -0.12 0.00 -0.36 0.00 0.00 55.97 55.48 1xqq s LYS 6 Cb -0.17 -3.41 0.09 0.00 -1.51 0.00 0.00 37.83 32.83 1xqq s LYS 6 CO -0.00 0.29 1.11 0.95 -0.36 0.00 0.00 175.35 177.34 1xqq s THR 7 N 0.35 2.76 0.23 3.43 -4.23 -0.33 -0.61 115.64 117.24 1xqq s THR 7 Ca 0.13 0.25 -0.06 0.00 -1.18 0.00 0.00 61.69 60.83 1xqq s THR 7 Cb -0.12 -2.99 0.19 0.00 1.34 0.00 0.00 72.50 70.92 1xqq s THR 7 CO 0.02 -0.32 1.79 0.25 -0.54 0.00 0.00 174.62 175.82 1xqq h LEU 8 N -1.21 0.55 0.00 4.79 5.85 -1.78 -3.29 115.31 120.22 1xqq h LEU 8 Ca -0.48 0.05 -0.22 0.00 0.84 0.00 0.00 57.88 58.08 1xqq h LEU 8 Cb 1.29 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 1xqq h LEU 8 CO 0.60 0.32 -1.20 0.71 -0.34 0.00 0.00 178.44 178.53 1xqq h THR 9 N 0.68 0.92 0.00 1.05 1.35 -1.92 -3.49 112.91 111.50 1xqq h THR 9 Ca 0.37 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 1xqq h THR 9 Cb 0.36 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1xqq h THR 9 CO -0.26 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 1xqq n GLY 10 N 1.44 -1.09 2.93 5.82 0.00 -1.24 -5.16 105.19 107.89 1xqq n GLY 10 Ca -0.31 0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 0.29 -0.34 1.61 2.20 -1.26 -4.92 119.74 117.32 1xqq s LYS 11 Ca 0.00 -0.13 -0.10 0.00 -0.36 0.00 0.00 55.97 55.38 1xqq s LYS 11 Cb 0.00 -0.29 0.01 0.00 -1.51 0.00 0.00 37.83 36.04 1xqq s LYS 11 CO 0.00 0.07 0.18 0.99 -0.36 0.00 0.00 175.35 176.23 1xqq s THR 12 N -0.07 4.56 0.12 3.43 2.01 -1.26 -1.18 115.64 123.25 1xqq s THR 12 Ca 0.01 -0.65 -0.14 0.00 0.31 0.00 0.00 61.69 61.22 1xqq s THR 12 Cb -0.02 -3.44 -0.07 0.00 0.01 0.00 0.00 72.50 68.99 1xqq s THR 12 CO -0.00 -0.08 0.52 -0.63 -0.69 0.00 0.00 174.62 173.73 1xqq s ILE 13 N 1.58 4.90 -0.23 1.82 1.01 0.50 -4.88 121.20 125.90 1xqq s ILE 13 Ca 0.03 0.80 -0.06 0.00 0.00 0.00 0.00 60.65 61.43 1xqq s ILE 13 Cb -0.18 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 1xqq s ILE 13 CO 0.06 0.30 0.02 -0.89 0.00 0.00 0.00 174.94 174.43 1xqq s THR 14 N -1.40 3.93 -0.14 2.92 2.01 -1.26 -1.50 115.64 120.20 1xqq s THR 14 Ca 0.35 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 62.03 1xqq s THR 14 Cb -0.15 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 1xqq s THR 14 CO 0.19 0.39 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.67 1xqq s LEU 15 N 1.44 3.08 -0.35 4.42 1.43 -0.76 -4.95 118.68 122.98 1xqq s LEU 15 Ca 0.05 -0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 1xqq s LEU 15 Cb -0.15 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1xqq s LEU 15 CO 0.01 0.18 0.65 -0.70 0.23 0.00 0.00 176.35 176.72 1xqq s GLU 16 N 0.27 3.70 0.29 1.70 2.12 -1.26 -1.88 118.70 123.63 1xqq s GLU 16 Ca -0.05 0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.39 1xqq s GLU 16 Cb -0.14 -3.80 -0.05 0.00 0.26 0.00 0.00 34.13 30.39 1xqq s GLU 16 CO 0.04 -0.73 0.11 0.14 -0.54 0.00 0.00 175.26 174.27 1xqq s VAL 17 N 2.73 0.59 0.05 3.70 -7.23 -0.70 -5.00 120.40 114.55 1xqq s VAL 17 Ca 0.25 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.45 1xqq s VAL 17 Cb -0.14 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 1xqq s VAL 17 CO 0.15 0.00 0.00 -1.61 -0.31 0.00 0.00 175.10 173.33 1xqq s GLU 18 N -3.94 2.65 0.25 4.82 2.02 -1.26 -0.77 118.70 122.46 1xqq s GLU 18 Ca 0.36 -0.75 0.20 0.00 0.02 0.00 0.00 54.97 54.81 1xqq s GLU 18 Cb 0.07 -2.59 0.97 0.00 0.10 0.00 0.00 34.13 32.67 1xqq s GLU 18 CO 0.15 0.57 1.62 -0.35 0.02 0.00 0.00 175.26 177.27 1xqq n PRO 19 N 0.88 0.14 0.00 0.39 -0.04 -1.26 -0.83 135.00 134.29 1xqq n PRO 19 Ca -0.12 0.51 0.14 0.00 -0.04 0.00 0.00 63.50 63.98 1xqq n PRO 19 Cb 0.52 -1.86 0.72 0.00 -0.04 0.00 0.00 33.50 32.85 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 -2.14 0.00 -4.80 3.54 7.64 -1.26 -1.64 113.62 114.95 1xqq n SER 20 Ca 0.01 -0.22 -0.35 0.00 1.01 0.00 0.00 58.87 59.32 1xqq n SER 20 Cb 0.13 -0.25 -0.07 0.00 -1.01 0.00 0.00 64.21 63.01 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 -2.50 7.14 0.75 6.43 1.01 -0.01 -4.89 116.67 124.61 1xqq s ASP 21 Ca 0.29 1.70 -0.12 0.00 0.71 0.00 0.00 52.55 55.13 1xqq s ASP 21 Cb 0.19 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.63 1xqq s ASP 21 CO 0.41 -0.15 1.13 0.42 0.21 0.00 0.00 175.17 177.19 1xqq s THR 22 N -1.80 2.88 0.27 -1.27 -4.23 -1.26 -3.03 115.64 107.20 1xqq s THR 22 Ca 0.53 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 1xqq s THR 22 Cb -0.15 -3.27 0.26 0.00 1.34 0.00 0.00 72.50 70.68 1xqq s THR 22 CO 0.20 -0.37 1.72 0.40 -0.54 0.00 0.00 174.62 176.02 1xqq h ILE 23 N -0.84 0.57 -0.28 2.99 1.08 -1.22 -1.12 117.51 118.69 1xqq h ILE 23 Ca -0.45 -0.15 0.08 0.00 -0.39 0.00 0.00 64.86 63.95 1xqq h ILE 23 Cb 1.28 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 1xqq h ILE 23 CO 0.64 0.08 0.36 -0.08 -0.69 0.00 0.00 178.15 178.46 1xqq h GLU 24 N 0.44 0.00 0.08 2.37 4.81 -1.61 -0.68 114.58 119.99 1xqq h GLU 24 Ca 0.49 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.41 1xqq h GLU 24 Cb 0.84 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1xqq h GLU 24 CO -0.46 0.00 -1.65 -0.97 -0.73 0.00 0.00 179.01 175.20 1xqq h ASN 25 N 0.00 0.27 -0.16 1.04 -0.73 -1.53 -3.22 115.58 111.25 1xqq h ASN 25 Ca 0.14 -0.45 0.00 0.00 1.87 0.00 0.00 56.30 57.86 1xqq h ASN 25 Cb 0.85 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.34 1xqq h ASN 25 CO -0.00 1.38 0.10 0.58 -0.37 0.00 0.00 177.43 179.13 1xqq h VAL 26 N 0.05 1.05 0.00 2.57 2.07 -0.98 -2.53 116.25 118.48 1xqq h VAL 26 Ca -0.28 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1xqq h VAL 26 Cb 2.01 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1xqq h VAL 26 CO 0.12 0.05 -0.05 0.11 0.02 0.00 0.00 177.57 177.82 1xqq h LYS 27 N 0.21 0.00 0.00 1.57 1.57 -1.27 -2.72 116.57 115.93 1xqq h LYS 27 Ca 0.06 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 1xqq h LYS 27 Cb -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1xqq h LYS 27 CO -0.01 0.05 -0.67 0.00 -0.57 0.00 0.00 179.45 178.24 1xqq h ALA 28 N 1.95 0.84 -0.49 3.86 0.00 -1.46 -0.93 119.26 123.04 1xqq h ALA 28 Ca -0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 1xqq h ALA 28 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xqq h ALA 28 CO 0.01 0.84 0.05 0.87 0.00 0.00 0.00 179.25 181.02 1xqq h LYS 29 N 0.00 0.78 -0.55 0.00 1.79 -1.41 -1.29 116.57 115.89 1xqq h LYS 29 Ca -0.01 -0.19 -0.06 0.00 -2.18 0.00 0.00 60.65 58.22 1xqq h LYS 29 Cb 1.23 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 1xqq h LYS 29 CO 0.09 0.75 0.10 0.82 -1.08 0.00 0.00 179.45 180.13 1xqq h ILE 30 N 0.74 1.25 0.00 1.86 2.04 -1.37 -0.20 117.51 121.83 1xqq h ILE 30 Ca 0.15 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1xqq h ILE 30 Cb 0.38 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1xqq h ILE 30 CO 0.01 0.34 -0.00 -0.61 0.00 0.00 0.00 178.15 177.89 1xqq h GLN 31 N 0.79 0.00 0.01 2.37 4.15 -0.99 -2.09 115.11 119.36 1xqq h GLN 31 Ca 0.17 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 1xqq h GLN 31 Cb 0.40 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1xqq h GLN 31 CO 0.01 0.00 -0.16 0.22 -1.93 0.00 0.00 178.83 176.97 1xqq h ASP 32 N 0.00 0.12 0.00 -0.69 3.58 -0.79 -2.90 116.42 115.74 1xqq h ASP 32 Ca -0.00 -0.87 -0.02 0.00 0.42 0.00 0.00 57.03 56.56 1xqq h ASP 32 Cb 0.01 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 1xqq h ASP 32 CO 0.00 0.98 -0.21 0.11 -2.88 0.00 0.00 179.24 177.24 1xqq h LYS 33 N -0.73 0.00 0.06 0.28 1.57 -0.99 -3.40 116.57 113.36 1xqq h LYS 33 Ca -0.02 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 1xqq h LYS 33 Cb 1.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.34 1xqq h LYS 33 CO 0.03 0.25 -0.55 0.93 -0.57 0.00 0.00 179.45 179.54 1xqq h GLU 34 N -1.00 0.26 -1.99 3.15 4.39 -1.61 -3.50 114.58 114.27 1xqq h GLU 34 Ca -0.03 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1xqq h GLU 34 Cb 0.39 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1xqq h GLU 34 CO -0.02 1.12 0.00 0.41 -1.16 0.00 0.00 179.01 179.36 1xqq n GLY 35 N 1.42 0.45 3.51 -3.84 0.00 -0.90 -5.01 105.19 100.80 1xqq n GLY 35 Ca -0.12 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.98 3.22 0.49 -0.61 1.01 -1.25 -4.99 121.20 116.07 1xqq s ILE 36 Ca 0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.72 1xqq s ILE 36 Cb 0.00 -2.29 -0.08 0.00 0.01 0.00 0.00 42.46 40.10 1xqq s ILE 36 CO 0.00 0.55 1.08 -2.84 0.00 0.00 0.00 174.94 173.74 1xqq s PRO 37 N -0.87 3.72 0.24 2.79 0.02 -1.26 -3.80 135.00 135.84 1xqq s PRO 37 Ca 0.12 1.52 0.09 0.00 0.02 0.00 0.00 61.00 62.75 1xqq s PRO 37 Cb -0.11 -2.18 0.24 0.00 0.02 0.00 0.00 34.50 32.47 1xqq s PRO 37 CO 0.02 -0.52 1.55 -1.00 -0.33 0.00 0.00 177.00 176.71 1xqq h PRO 38 N 1.67 0.01 0.00 5.54 0.13 -1.93 -2.73 132.00 134.69 1xqq h PRO 38 Ca -0.49 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 1xqq h PRO 38 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1xqq h PRO 38 CO 0.59 0.70 -0.19 0.38 -0.23 0.00 0.00 178.00 179.25 1xqq h ASP 39 N 0.01 0.00 0.93 1.44 2.03 -1.96 -3.07 116.42 115.80 1xqq h ASP 39 Ca -0.01 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.11 1xqq h ASP 39 Cb 1.23 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.70 1xqq h ASP 39 CO 0.09 0.19 -0.88 1.56 -1.03 0.00 0.00 179.24 179.18 1xqq h GLN 40 N 0.00 0.00 -5.68 4.15 4.20 -1.76 -3.41 115.11 112.61 1xqq h GLN 40 Ca -0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.44 1xqq h GLN 40 Cb 0.46 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 1xqq h GLN 40 CO 0.03 0.88 0.70 -0.65 -0.67 0.00 0.00 178.83 179.11 1xqq s GLN 41 N -2.95 2.37 -0.64 1.46 -0.21 -1.04 -1.86 119.66 116.79 1xqq s GLN 41 Ca 0.01 0.00 -0.19 0.00 0.02 0.00 0.00 55.36 55.20 1xqq s GLN 41 Cb 0.11 -4.92 0.11 0.00 1.00 0.00 0.00 33.01 29.30 1xqq s GLN 41 CO 0.80 -3.50 0.78 0.50 -2.12 0.00 0.00 175.29 171.75 1xqq s ARG 42 N 7.39 3.13 -0.18 2.91 3.52 -0.55 -4.97 118.95 130.21 1xqq s ARG 42 Ca 0.75 -1.37 -0.12 0.00 -0.13 0.00 0.00 55.73 54.86 1xqq s ARG 42 Cb -0.09 -4.33 -0.05 0.00 -1.56 0.00 0.00 34.95 28.92 1xqq s ARG 42 CO 0.04 -1.58 0.21 -1.17 -0.81 0.00 0.00 175.30 171.98 1xqq s LEU 43 N 2.71 4.23 -0.06 -0.88 2.96 -1.26 -0.62 118.68 125.77 1xqq s LEU 43 Ca 0.15 0.37 0.05 0.00 -0.22 0.00 0.00 54.13 54.48 1xqq s LEU 43 Cb -0.21 -2.22 -0.00 0.00 0.50 0.00 0.00 46.19 44.26 1xqq s LEU 43 CO 0.04 0.15 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.39 1xqq s ILE 44 N 0.34 1.73 -0.35 6.68 1.01 -0.58 -1.91 121.20 128.12 1xqq s ILE 44 Ca 0.12 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 1xqq s ILE 44 Cb -0.12 -1.48 0.09 0.00 0.01 0.00 0.00 42.46 40.95 1xqq s ILE 44 CO 0.01 0.49 0.09 0.12 0.00 0.00 0.00 174.94 175.65 1xqq s PHE 45 N 0.04 3.52 0.00 3.97 5.36 0.08 -0.54 117.98 130.42 1xqq s PHE 45 Ca -0.06 -2.40 0.00 0.00 -0.96 0.00 0.00 56.93 53.51 1xqq s PHE 45 Cb -0.13 -2.77 0.00 0.00 -0.34 0.00 0.00 43.02 39.77 1xqq s PHE 45 CO 0.04 -0.92 0.00 0.00 -1.46 0.00 0.00 175.22 172.88 1xqq n ALA 46 N 4.51 0.00 -0.74 11.12 0.00 -1.26 -1.07 120.51 133.07 1xqq n ALA 46 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.45 1xqq n ALA 46 Cb 0.42 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.95 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 3.78 3.61 0.00 0.00 -1.26 -5.01 105.19 106.31 1xqq n GLY 47 Ca 0.00 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 3.87 -0.07 1.61 -0.14 -0.23 -5.01 119.74 117.77 1xqq s LYS 48 Ca 0.18 0.61 -0.30 0.00 -1.36 0.00 0.00 55.97 55.10 1xqq s LYS 48 Cb 0.16 -3.78 -0.03 0.00 -1.68 0.00 0.00 37.83 32.49 1xqq s LYS 48 CO 0.02 -0.89 1.27 -1.14 -0.76 0.00 0.00 175.35 173.85 1xqq s GLN 49 N 3.38 4.30 -0.12 1.68 0.74 -1.26 -0.74 119.66 127.64 1xqq s GLN 49 Ca 0.37 1.75 -0.14 0.00 0.05 0.00 0.00 55.36 57.39 1xqq s GLN 49 Cb -0.12 -3.63 -0.05 0.00 1.10 0.00 0.00 33.01 30.30 1xqq s GLN 49 CO 0.17 -0.56 0.34 -0.51 -0.55 0.00 0.00 175.29 174.18 1xqq s LEU 50 N 2.68 4.30 0.47 3.68 1.43 -0.80 -4.98 118.68 125.45 1xqq s LEU 50 Ca 0.58 0.65 -0.20 0.00 -1.03 0.00 0.00 54.13 54.13 1xqq s LEU 50 Cb -0.25 -2.45 -0.09 0.00 0.03 0.00 0.00 46.19 43.42 1xqq s LEU 50 CO 0.21 0.15 0.98 -1.61 0.23 0.00 0.00 176.35 176.31 1xqq s GLU 51 N 0.10 4.02 0.19 1.70 0.41 -1.26 -4.83 118.70 119.04 1xqq s GLU 51 Ca 0.20 1.16 -0.04 0.00 -0.41 0.00 0.00 54.97 55.88 1xqq s GLU 51 Cb -0.14 -2.14 0.13 0.00 -1.78 0.00 0.00 34.13 30.19 1xqq s GLU 51 CO 0.07 -0.22 1.54 -0.44 -0.49 0.00 0.00 175.26 175.72 1xqq h ASP 52 N 1.57 0.69 -0.64 -0.19 5.19 -1.96 -3.29 116.42 117.80 1xqq h ASP 52 Ca -0.49 -0.33 -0.21 0.00 -0.62 0.00 0.00 57.03 55.38 1xqq h ASP 52 Cb 1.19 -0.20 -0.13 0.00 0.18 0.00 0.00 39.33 40.38 1xqq h ASP 52 CO 0.60 1.04 0.22 0.61 -3.12 0.00 0.00 179.24 178.59 1xqq n GLY 53 N 0.11 4.02 3.45 2.75 0.00 -1.26 -1.63 105.19 112.64 1xqq n GLY 53 Ca -0.02 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.05 2.28 0.55 1.61 1.81 -1.24 -4.94 118.95 115.98 1xqq s ARG 54 Ca 0.52 -0.84 -0.17 0.00 -1.72 0.00 0.00 55.73 53.52 1xqq s ARG 54 Cb 0.43 -2.26 -0.06 0.00 -0.45 0.00 0.00 34.95 32.60 1xqq s ARG 54 CO 0.10 0.58 1.03 0.95 -0.68 0.00 0.00 175.30 177.28 1xqq s THR 55 N -0.80 4.05 0.26 0.02 -4.23 -1.26 -1.73 115.64 111.95 1xqq s THR 55 Ca 0.13 1.02 0.06 0.00 -1.18 0.00 0.00 61.69 61.72 1xqq s THR 55 Cb -0.10 -3.50 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 1xqq s THR 55 CO 0.02 -0.52 1.62 -0.07 -0.54 0.00 0.00 174.62 175.13 1xqq h LEU 56 N 0.77 0.23 -1.03 4.79 3.38 -1.49 -2.16 115.31 119.80 1xqq h LEU 56 Ca -0.47 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1xqq h LEU 56 Cb 1.21 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1xqq h LEU 56 CO 0.59 0.72 0.00 0.77 0.09 0.00 0.00 178.44 180.61 1xqq h SER 57 N 0.16 0.00 0.06 -0.43 4.64 -1.55 0.35 113.55 116.79 1xqq h SER 57 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1xqq h SER 57 Cb 1.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1xqq h SER 57 CO 0.08 0.00 -0.64 -0.78 -0.87 0.00 0.00 176.83 174.62 1xqq h ASP 58 N 0.00 0.46 0.73 4.97 3.58 -1.67 -3.24 116.42 121.25 1xqq h ASP 58 Ca 0.00 -0.85 -0.06 0.00 0.42 0.00 0.00 57.03 56.54 1xqq h ASP 58 Cb 0.48 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1xqq h ASP 58 CO 0.00 1.26 -0.27 1.88 -2.88 0.00 0.00 179.24 179.23 1xqq h TYR 59 N -0.28 0.00 -1.27 0.28 0.05 -1.41 -3.48 116.97 110.86 1xqq h TYR 59 Ca -0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.68 1xqq h TYR 59 Cb 1.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.15 1xqq h TYR 59 CO 0.18 0.27 0.00 -1.71 -1.05 0.00 0.00 178.16 175.85 1xqq n ASN 60 N -3.55 -1.84 -4.39 3.88 5.15 -0.64 -5.03 115.26 108.83 1xqq n ASN 60 Ca -0.01 0.00 -0.45 0.00 -0.60 0.00 0.00 54.58 53.52 1xqq n ASN 60 Cb 0.42 -0.46 -0.03 0.00 -0.53 0.00 0.00 39.78 39.18 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xqq s ILE 61 N -2.89 4.97 0.55 -1.44 1.01 0.02 -5.01 121.20 118.42 1xqq s ILE 61 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 59.12 1xqq s ILE 61 Cb 0.00 -4.59 0.11 0.00 0.01 0.00 0.00 42.46 37.99 1xqq s ILE 61 CO 0.00 -1.24 0.76 0.00 0.00 0.00 0.00 174.94 174.46 1xqq n GLN 62 N 5.85 0.11 -1.70 2.79 6.02 -1.26 -4.54 117.38 124.65 1xqq n GLN 62 Ca 0.07 -2.12 -0.43 0.00 -0.01 0.00 0.00 57.00 54.52 1xqq n GLN 62 Cb 0.46 -0.48 -0.01 0.00 1.02 0.00 0.00 30.24 31.23 1xqq n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1xqq n LYS 63 N -2.38 2.17 -1.08 -1.09 2.85 -1.26 -2.22 118.16 115.15 1xqq n LYS 63 Ca 0.13 0.76 -0.03 0.00 -1.05 0.00 0.00 58.31 58.12 1xqq n LYS 63 Cb 0.45 -2.37 -0.01 0.00 -0.65 0.00 0.00 35.03 32.45 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xqq n GLU 64 N 0.83 -1.03 -2.00 -1.58 1.02 -0.68 -5.01 120.64 112.19 1xqq n GLU 64 Ca 0.06 0.42 -0.39 0.00 -0.02 0.00 0.00 57.16 57.23 1xqq n GLU 64 Cb 0.36 -4.28 0.01 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 -2.20 6.02 -0.32 1.62 0.01 -0.94 -4.72 113.70 113.17 1xqq s SER 65 Ca 0.00 2.65 -0.11 0.00 1.31 0.00 0.00 55.95 59.80 1xqq s SER 65 Cb 0.00 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 1xqq s SER 65 CO 0.00 -1.05 0.19 -0.89 0.41 0.00 0.00 173.24 171.90 1xqq s THR 66 N -1.31 4.96 -0.16 1.44 2.01 -1.26 -1.65 115.64 119.67 1xqq s THR 66 Ca 0.61 -0.25 -0.08 0.00 0.31 0.00 0.00 61.69 62.28 1xqq s THR 66 Cb -0.38 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1xqq s THR 66 CO 0.47 0.07 0.13 -0.76 -0.69 0.00 0.00 174.62 173.84 1xqq s LEU 67 N 1.68 4.26 -0.23 4.42 1.02 0.46 -4.70 118.68 125.59 1xqq s LEU 67 Ca 0.06 0.33 -0.05 0.00 0.02 0.00 0.00 54.13 54.48 1xqq s LEU 67 Cb -0.17 -2.07 -0.02 0.00 0.02 0.00 0.00 46.19 43.95 1xqq s LEU 67 CO 0.09 0.29 0.00 -1.00 0.02 0.00 0.00 176.35 175.74 1xqq s HIS 68 N -0.29 3.01 -0.30 0.29 3.76 0.30 -0.22 115.29 121.84 1xqq s HIS 68 Ca 0.11 -0.69 -0.17 0.00 -0.15 0.00 0.00 55.06 54.16 1xqq s HIS 68 Cb -0.12 -2.15 -0.02 0.00 1.11 0.00 0.00 32.58 31.41 1xqq s HIS 68 CO 0.01 -0.44 0.45 -1.17 -0.85 0.00 0.00 174.74 172.74 1xqq s LEU 69 N 1.45 4.18 0.08 0.89 2.96 0.22 -1.52 118.68 126.94 1xqq s LEU 69 Ca 0.05 0.19 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1xqq s LEU 69 Cb -0.15 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 1xqq s LEU 69 CO -0.00 -0.32 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.00 1xqq s VAL 70 N 2.22 3.89 0.12 1.68 1.01 0.21 -2.09 120.40 127.45 1xqq s VAL 70 Ca 0.17 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 1xqq s VAL 70 Cb -0.16 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1xqq s VAL 70 CO 0.11 0.15 0.31 -0.76 0.00 0.00 0.00 175.10 174.91 1xqq s LEU 71 N -2.19 4.30 0.25 3.92 1.43 -1.26 -1.48 118.68 123.65 1xqq s LEU 71 Ca 0.24 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 1xqq s LEU 71 Cb -0.12 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1xqq s LEU 71 CO 0.16 0.08 0.14 0.00 0.23 0.00 0.00 176.35 176.97 1xqq s ARG 72 N -2.75 1.41 0.00 1.70 1.70 -0.78 -4.90 118.95 115.34 1xqq s ARG 72 Ca 0.38 -1.77 0.00 0.00 -0.47 0.00 0.00 55.73 53.87 1xqq s ARG 72 Cb -0.12 0.05 0.00 0.00 -0.57 0.00 0.00 34.95 34.31 1xqq s ARG 72 CO 0.27 -0.41 0.00 1.28 -1.08 0.00 0.00 175.30 175.36 1xqq n LEU 73 N -0.43 0.35 -0.08 -1.89 4.77 -1.26 -4.52 117.00 113.94 1xqq n LEU 73 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1xqq n LEU 73 Cb 0.65 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.68 1xqq n LEU 73 CO 0.34 0.00 -1.03 -1.14 -1.33 0.00 0.00 177.39 174.24 1xqq n ARG 74 N -0.98 0.38 -3.79 3.23 3.00 -1.26 -4.57 116.66 112.67 1xqq n ARG 74 Ca 0.00 0.11 -0.06 0.00 -0.00 0.00 0.00 57.85 57.90 1xqq n ARG 74 Cb 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 32.46 31.19 1xqq n ARG 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1xqq s GLY 75 N -5.46 -0.18 0.00 5.14 0.00 -1.26 -5.03 107.32 100.53 1xqq s GLY 75 Ca -0.22 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1xqq s GLY 75 CO 0.34 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 174.02