#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 3.12 0.28 3.17 -0.21 -1.26 -0.45 119.66 124.31 1xqq s GLN 2 Ca 0.00 -0.36 0.12 0.00 0.02 0.00 0.00 55.36 55.14 1xqq s GLN 2 Cb 0.00 -2.91 -0.05 0.00 1.00 0.00 0.00 33.01 31.05 1xqq s GLN 2 CO 0.00 0.71 -0.19 0.96 -2.12 0.00 0.00 175.29 174.65 1xqq s ILE 3 N -1.01 2.54 -0.56 1.08 -4.36 -0.28 -2.21 121.20 116.40 1xqq s ILE 3 Ca 0.16 -2.37 -0.01 0.00 -0.26 0.00 0.00 60.65 58.17 1xqq s ILE 3 Cb -0.12 -2.33 0.14 0.00 1.25 0.00 0.00 42.46 41.41 1xqq s ILE 3 CO 0.06 -0.39 0.35 -0.36 0.24 0.00 0.00 174.94 174.84 1xqq s PHE 4 N -2.48 3.40 -0.46 1.37 0.08 -0.99 -1.46 117.98 117.44 1xqq s PHE 4 Ca 0.30 -2.80 -0.19 0.00 0.12 0.00 0.00 56.93 54.36 1xqq s PHE 4 Cb -0.05 -3.11 0.03 0.00 -0.57 0.00 0.00 43.02 39.33 1xqq s PHE 4 CO 0.15 -0.84 0.59 0.08 -0.10 0.00 0.00 175.22 175.10 1xqq s VAL 5 N 0.08 4.90 -0.02 -0.44 1.01 -0.72 -0.67 120.40 124.55 1xqq s VAL 5 Ca 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1xqq s VAL 5 Cb -0.22 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1xqq s VAL 5 CO -0.03 -0.62 0.11 -0.75 0.00 0.00 0.00 175.10 173.81 1xqq s LYS 6 N 2.60 3.19 0.63 2.72 2.20 0.51 -1.48 119.74 130.11 1xqq s LYS 6 Ca 0.18 -0.41 -0.01 0.00 -0.36 0.00 0.00 55.97 55.36 1xqq s LYS 6 Cb -0.16 -2.94 0.06 0.00 -1.51 0.00 0.00 37.83 33.28 1xqq s LYS 6 CO 0.15 0.67 0.89 0.95 -0.36 0.00 0.00 175.35 177.65 1xqq s THR 7 N -1.21 2.44 0.07 3.43 -4.23 -0.32 -0.86 115.64 114.97 1xqq s THR 7 Ca 0.23 -0.55 -0.25 0.00 -1.18 0.00 0.00 61.69 59.94 1xqq s THR 7 Cb -0.12 -2.90 -0.16 0.00 1.34 0.00 0.00 72.50 70.66 1xqq s THR 7 CO 0.14 0.00 1.66 -0.07 -0.54 0.00 0.00 174.62 175.81 1xqq h LEU 8 N -0.25 -0.18 -0.72 4.79 3.38 -1.90 -2.78 115.31 117.65 1xqq h LEU 8 Ca -0.41 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 57.68 1xqq h LEU 8 Cb 1.29 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.96 1xqq h LEU 8 CO 0.51 -0.09 -0.09 0.71 0.09 0.00 0.00 178.44 179.57 1xqq h THR 9 N -0.26 0.33 0.00 0.22 1.35 -1.98 -3.46 112.91 109.10 1xqq h THR 9 Ca -0.02 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1xqq h THR 9 Cb 0.21 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 66.90 1xqq h THR 9 CO 0.04 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1xqq n GLY 10 N -1.44 0.73 3.73 5.82 0.00 -1.05 -5.11 105.19 107.87 1xqq n GLY 10 Ca 0.11 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 0.09 4.48 -0.38 1.61 2.20 -1.26 -4.82 119.74 121.66 1xqq s LYS 11 Ca 0.00 1.03 -0.12 0.00 -0.36 0.00 0.00 55.97 56.52 1xqq s LYS 11 Cb 0.00 -3.41 0.03 0.00 -1.51 0.00 0.00 37.83 32.94 1xqq s LYS 11 CO 0.00 0.16 0.22 0.99 -0.36 0.00 0.00 175.35 176.36 1xqq s THR 12 N 0.41 4.70 -0.49 3.43 2.01 -1.26 -1.17 115.64 123.26 1xqq s THR 12 Ca 0.40 -0.83 -0.28 0.00 0.31 0.00 0.00 61.69 61.28 1xqq s THR 12 Cb -0.19 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 68.72 1xqq s THR 12 CO 0.22 -0.26 1.09 -0.63 -0.69 0.00 0.00 174.62 174.34 1xqq s ILE 13 N 1.57 4.25 -1.45 1.82 1.01 -0.55 -4.91 121.20 122.95 1xqq s ILE 13 Ca 0.02 1.02 -0.11 0.00 0.00 0.00 0.00 60.65 61.58 1xqq s ILE 13 Cb -0.19 -4.58 0.04 0.00 0.01 0.00 0.00 42.46 37.74 1xqq s ILE 13 CO 0.07 -1.02 2.37 0.35 0.00 0.00 0.00 174.94 176.71 1xqq n THR 14 N 6.70 4.07 -3.41 2.92 -2.24 -1.26 -1.76 114.28 119.31 1xqq n THR 14 Ca 0.10 -3.34 -0.38 0.00 -2.27 0.00 0.00 64.05 58.16 1xqq n THR 14 Cb 0.49 -2.50 -0.07 0.00 -2.10 0.00 0.00 70.33 66.15 1xqq n THR 14 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xqq s LEU 15 N 0.68 4.19 -0.48 3.22 2.96 -0.54 -4.85 118.68 123.88 1xqq s LEU 15 Ca 0.52 0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 54.87 1xqq s LEU 15 Cb 0.15 -2.52 0.10 0.00 0.50 0.00 0.00 46.19 44.42 1xqq s LEU 15 CO -0.06 -0.03 0.37 -0.70 -1.32 0.00 0.00 176.35 174.61 1xqq s GLU 16 N 1.01 2.75 0.33 1.98 2.12 -1.26 -1.12 118.70 124.51 1xqq s GLU 16 Ca 0.20 -1.58 0.06 0.00 0.36 0.00 0.00 54.97 54.01 1xqq s GLU 16 Cb -0.14 -4.03 -0.07 0.00 0.26 0.00 0.00 34.13 30.15 1xqq s GLU 16 CO 0.07 -1.13 -0.00 0.14 -0.54 0.00 0.00 175.26 173.81 1xqq s VAL 17 N 1.50 1.58 0.47 3.70 -7.23 0.41 -4.91 120.40 115.92 1xqq s VAL 17 Ca 0.04 -2.05 0.06 0.00 -1.81 0.00 0.00 61.98 58.22 1xqq s VAL 17 Cb -0.26 -2.72 0.02 0.00 0.56 0.00 0.00 36.38 33.99 1xqq s VAL 17 CO 0.03 -0.11 0.64 -1.61 -0.31 0.00 0.00 175.10 173.74 1xqq s GLU 18 N -3.78 2.71 0.00 4.82 2.02 -1.26 -0.70 118.70 122.50 1xqq s GLU 18 Ca 0.34 -1.14 0.29 0.00 0.02 0.00 0.00 54.97 54.47 1xqq s GLU 18 Cb 0.07 -2.68 1.20 0.00 0.10 0.00 0.00 34.13 32.83 1xqq s GLU 18 CO 0.15 -0.44 1.84 -0.35 0.02 0.00 0.00 175.26 176.49 1xqq n PRO 19 N -2.01 0.76 -0.63 0.39 -0.04 -1.26 -2.71 135.00 129.50 1xqq n PRO 19 Ca 0.09 -0.28 0.06 0.00 -0.04 0.00 0.00 63.50 63.32 1xqq n PRO 19 Cb 0.59 -1.49 0.30 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.88 4.39 -4.83 3.54 7.64 -1.26 -2.06 113.62 120.16 1xqq n SER 20 Ca 0.15 -2.61 -0.38 0.00 1.01 0.00 0.00 58.87 57.04 1xqq n SER 20 Cb 0.28 -0.61 -0.06 0.00 -1.01 0.00 0.00 64.21 62.81 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 -0.64 6.77 0.64 6.43 1.01 -1.10 -4.97 116.67 124.81 1xqq s ASP 21 Ca 0.41 0.92 -0.07 0.00 0.71 0.00 0.00 52.55 54.52 1xqq s ASP 21 Cb 0.30 -2.24 0.02 0.00 1.01 0.00 0.00 42.92 42.01 1xqq s ASP 21 CO 0.14 0.31 0.97 0.42 0.21 0.00 0.00 175.17 177.22 1xqq s THR 22 N -0.98 3.34 0.21 -1.27 -4.23 -1.26 -2.63 115.64 108.81 1xqq s THR 22 Ca 0.23 0.05 0.16 0.00 -1.18 0.00 0.00 61.69 60.95 1xqq s THR 22 Cb -0.16 -3.37 0.09 0.00 1.34 0.00 0.00 72.50 70.40 1xqq s THR 22 CO 0.13 -0.41 1.71 0.40 -0.54 0.00 0.00 174.62 175.91 1xqq h ILE 23 N -0.37 1.06 -0.06 2.99 1.08 -1.32 -1.03 117.51 119.87 1xqq h ILE 23 Ca -0.45 -1.67 0.01 0.00 -0.39 0.00 0.00 64.86 62.36 1xqq h ILE 23 Cb 1.27 1.97 -0.01 0.00 -3.07 0.00 0.00 36.82 36.98 1xqq h ILE 23 CO 0.61 0.43 -0.02 -0.08 -0.69 0.00 0.00 178.15 178.41 1xqq h GLU 24 N 0.00 -0.01 0.00 2.37 4.81 -1.83 0.56 114.58 120.48 1xqq h GLU 24 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1xqq h GLU 24 Cb 0.94 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 1xqq h GLU 24 CO 0.06 -0.01 -0.10 -0.91 -0.73 0.00 0.00 179.01 177.32 1xqq h ASN 25 N -0.01 0.00 0.42 1.04 -0.26 -1.72 0.12 115.58 115.18 1xqq h ASN 25 Ca 0.03 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.75 1xqq h ASN 25 Cb 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 1xqq h ASN 25 CO -0.06 0.10 -0.20 0.58 -1.06 0.00 0.00 177.43 176.79 1xqq h VAL 26 N 0.00 0.50 -0.51 2.81 2.07 -1.13 -1.61 116.25 118.38 1xqq h VAL 26 Ca -0.00 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1xqq h VAL 26 Cb 0.57 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1xqq h VAL 26 CO 0.01 0.07 0.27 0.11 0.02 0.00 0.00 177.57 178.05 1xqq h LYS 27 N -0.87 0.72 -0.48 1.57 1.57 -0.68 -2.74 116.57 115.66 1xqq h LYS 27 Ca -0.06 -0.09 0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1xqq h LYS 27 Cb 0.56 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1xqq h LYS 27 CO 0.10 0.57 0.33 0.00 -0.57 0.00 0.00 179.45 179.88 1xqq h ALA 28 N 1.11 2.14 -0.51 3.86 0.00 -1.03 0.25 119.26 125.07 1xqq h ALA 28 Ca 0.18 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1xqq h ALA 28 Cb 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1xqq h ALA 28 CO -0.03 -0.26 -0.09 -0.22 0.00 0.00 0.00 179.25 178.66 1xqq h LYS 29 N 0.23 0.94 -0.14 0.00 3.64 -1.00 -1.81 116.57 118.44 1xqq h LYS 29 Ca 0.22 -0.32 -0.13 0.00 -1.27 0.00 0.00 60.65 59.15 1xqq h LYS 29 Cb 0.57 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1xqq h LYS 29 CO -0.04 0.98 -0.49 0.82 -2.27 0.00 0.00 179.45 178.45 1xqq h ILE 30 N 0.85 1.33 -0.37 2.00 2.04 -1.08 -1.37 117.51 120.90 1xqq h ILE 30 Ca 0.14 -1.72 0.07 0.00 1.00 0.00 0.00 64.86 64.35 1xqq h ILE 30 Cb 0.62 1.77 -0.07 0.00 -0.74 0.00 0.00 36.82 38.40 1xqq h ILE 30 CO 0.04 0.52 -0.08 -0.61 0.00 0.00 0.00 178.15 178.02 1xqq h GLN 31 N 0.29 0.02 0.27 2.37 4.15 -0.18 0.12 115.11 122.14 1xqq h GLN 31 Ca 0.01 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1xqq h GLN 31 Cb 0.97 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.66 1xqq h GLN 31 CO 0.08 0.01 -0.13 0.22 -1.93 0.00 0.00 178.83 177.08 1xqq h ASP 32 N 0.02 -0.31 0.00 -0.69 3.58 -1.28 -1.94 116.42 115.80 1xqq h ASP 32 Ca 0.18 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1xqq h ASP 32 Cb 0.27 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1xqq h ASP 32 CO -0.37 -0.03 0.00 1.17 -2.88 0.00 0.00 179.24 177.13 1xqq n LYS 33 N -5.15 0.00 0.08 0.28 3.00 -0.52 -4.39 118.16 111.46 1xqq n LYS 33 Ca -0.10 0.20 -0.13 0.00 -0.00 0.00 0.00 58.31 58.28 1xqq n LYS 33 Cb 0.23 -0.99 -0.08 0.00 0.00 0.00 0.00 35.03 34.19 1xqq n LYS 33 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1xqq h GLU 34 N 0.00 -0.16 0.00 1.64 4.39 -0.95 -3.49 114.58 116.01 1xqq h GLU 34 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1xqq h GLU 34 Cb 0.00 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1xqq h GLU 34 CO 0.00 0.02 0.00 0.41 -1.16 0.00 0.00 179.01 178.28 1xqq n GLY 35 N -0.76 1.51 3.57 -3.84 0.00 -0.73 -5.04 105.19 99.91 1xqq n GLY 35 Ca -0.08 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 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 5.18 0.75 -0.61 1.01 -1.26 -5.05 121.20 119.21 1xqq s ILE 36 Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.81 1xqq s ILE 36 Cb 0.00 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 38.76 1xqq s ILE 36 CO 0.00 0.03 1.10 -2.84 0.00 0.00 0.00 174.94 173.23 1xqq s PRO 37 N 2.04 2.34 0.33 2.79 0.02 -1.26 -4.41 135.00 136.85 1xqq s PRO 37 Ca 0.13 1.27 0.18 0.00 0.02 0.00 0.00 61.00 62.60 1xqq s PRO 37 Cb -0.16 -1.90 0.27 0.00 0.02 0.00 0.00 34.50 32.72 1xqq s PRO 37 CO 0.11 -1.59 1.54 -1.00 -0.33 0.00 0.00 177.00 175.73 1xqq h PRO 38 N -0.80 0.00 0.00 5.54 0.13 -1.97 -3.06 132.00 131.83 1xqq h PRO 38 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xqq h PRO 38 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xqq h PRO 38 CO 0.52 0.38 0.00 0.38 -0.23 0.00 0.00 178.00 179.04 1xqq h ASP 39 N 0.00 0.00 0.52 1.44 2.03 -1.96 -3.06 116.42 115.39 1xqq h ASP 39 Ca -0.00 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.11 1xqq h ASP 39 Cb 1.21 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.68 1xqq h ASP 39 CO 0.05 0.00 -1.63 0.00 -1.03 0.00 0.00 179.24 176.63 1xqq n GLN 40 N -2.61 0.64 -2.11 4.15 6.02 -1.16 -4.14 117.38 118.17 1xqq n GLN 40 Ca -0.00 0.15 -0.29 0.00 -0.01 0.00 0.00 57.00 56.85 1xqq n GLN 40 Cb 0.18 -1.74 -0.05 0.00 1.02 0.00 0.00 30.24 29.65 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 -2.91 2.66 -0.41 -1.09 -0.21 -1.16 -0.58 119.66 115.97 1xqq s GLN 41 Ca -0.05 -0.67 -0.29 0.00 0.02 0.00 0.00 55.36 54.37 1xqq s GLN 41 Cb 0.09 -5.16 0.02 0.00 1.00 0.00 0.00 33.01 28.96 1xqq s GLN 41 CO 0.82 -3.43 1.16 0.50 -2.12 0.00 0.00 175.29 172.22 1xqq s ARG 42 N 6.60 3.82 -0.35 2.91 3.52 -0.00 -4.96 118.95 130.48 1xqq s ARG 42 Ca 0.67 0.79 -0.08 0.00 -0.13 0.00 0.00 55.73 56.99 1xqq s ARG 42 Cb -0.04 -3.87 0.04 0.00 -1.56 0.00 0.00 34.95 29.52 1xqq s ARG 42 CO 0.03 -1.25 0.14 -0.51 -0.81 0.00 0.00 175.30 172.90 1xqq s LEU 43 N 4.33 4.50 -0.21 -0.88 1.02 -1.26 -0.50 118.68 125.68 1xqq s LEU 43 Ca 0.49 -1.15 -0.08 0.00 0.02 0.00 0.00 54.13 53.41 1xqq s LEU 43 Cb -0.10 -1.91 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 1xqq s LEU 43 CO 0.27 -0.36 0.08 -0.63 0.02 0.00 0.00 176.35 175.73 1xqq s ILE 44 N 1.44 4.76 -0.29 -0.59 -1.09 -0.75 -2.24 121.20 122.44 1xqq s ILE 44 Ca -0.00 -0.03 -0.10 0.00 -2.23 0.00 0.00 60.65 58.28 1xqq s ILE 44 Cb -0.20 -3.19 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 1xqq s ILE 44 CO 0.04 0.40 0.16 0.12 -1.23 0.00 0.00 174.94 174.42 1xqq s PHE 45 N 0.89 3.18 0.00 3.97 5.36 -0.45 -1.46 117.98 129.46 1xqq s PHE 45 Ca 0.04 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 1xqq s PHE 45 Cb -0.14 -2.36 0.00 0.00 -0.34 0.00 0.00 43.02 40.19 1xqq s PHE 45 CO 0.03 -0.33 0.00 0.00 -1.46 0.00 0.00 175.22 173.46 1xqq n ALA 46 N 5.01 0.00 -0.76 11.12 0.00 -1.26 -0.37 120.51 134.25 1xqq n ALA 46 Ca -0.14 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.37 1xqq n ALA 46 Cb 0.51 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.17 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 3.75 3.31 0.00 0.00 -1.26 -5.04 105.19 105.95 1xqq n GLY 47 Ca 0.00 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.31 2.19 -0.19 1.61 1.02 0.50 -5.11 119.74 117.45 1xqq s LYS 48 Ca 0.35 -0.92 -0.07 0.00 0.02 0.00 0.00 55.97 55.35 1xqq s LYS 48 Cb 0.27 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.47 1xqq s LYS 48 CO 0.10 0.54 0.05 1.14 -0.92 0.00 0.00 175.35 176.26 1xqq s GLN 49 N -0.55 3.88 -0.09 1.68 -2.07 -1.26 -1.35 119.66 119.91 1xqq s GLN 49 Ca 0.08 -0.39 -0.23 0.00 -1.82 0.00 0.00 55.36 53.00 1xqq s GLN 49 Cb -0.11 -3.21 -0.03 0.00 -1.09 0.00 0.00 33.01 28.58 1xqq s GLN 49 CO -0.00 0.18 0.70 -0.51 -1.32 0.00 0.00 175.29 174.34 1xqq s LEU 50 N 0.61 4.29 0.23 2.60 1.43 -0.95 -4.99 118.68 121.90 1xqq s LEU 50 Ca 0.03 1.15 0.07 0.00 -1.03 0.00 0.00 54.13 54.35 1xqq s LEU 50 Cb -0.13 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 1xqq s LEU 50 CO 0.02 -0.16 0.14 -1.61 0.23 0.00 0.00 176.35 174.97 1xqq s GLU 51 N 1.03 2.79 0.09 1.70 2.02 -1.26 -4.74 118.70 120.33 1xqq s GLU 51 Ca 0.37 -1.08 -0.27 0.00 0.02 0.00 0.00 54.97 54.00 1xqq s GLU 51 Cb -0.17 -2.50 -0.14 0.00 0.10 0.00 0.00 34.13 31.42 1xqq s GLU 51 CO 0.17 0.41 1.67 -0.44 0.02 0.00 0.00 175.26 177.09 1xqq h ASP 52 N 1.81 -0.47 0.12 -0.19 3.32 -1.96 -3.12 116.42 115.93 1xqq h ASP 52 Ca -0.48 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1xqq h ASP 52 Cb 1.23 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1xqq h ASP 52 CO 0.61 -0.29 -0.16 0.61 -1.72 0.00 0.00 179.24 178.29 1xqq n GLY 53 N -1.31 -0.30 3.89 2.75 0.00 -1.26 -2.40 105.19 106.55 1xqq n GLY 53 Ca -0.09 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.29 3.71 0.62 1.61 1.81 -1.18 -4.95 118.95 118.28 1xqq s ARG 54 Ca 0.29 0.29 0.01 0.00 -1.72 0.00 0.00 55.73 54.60 1xqq s ARG 54 Cb 0.20 -2.47 0.07 0.00 -0.45 0.00 0.00 34.95 32.30 1xqq s ARG 54 CO 0.44 0.03 0.86 0.95 -0.68 0.00 0.00 175.30 176.91 1xqq s THR 55 N -2.31 2.44 0.24 0.02 -4.23 -1.26 -2.84 115.64 107.70 1xqq s THR 55 Ca 0.48 -0.64 -0.06 0.00 -1.18 0.00 0.00 61.69 60.30 1xqq s THR 55 Cb -0.10 -2.81 0.22 0.00 1.34 0.00 0.00 72.50 71.15 1xqq s THR 55 CO 0.32 0.00 1.69 -0.07 -0.54 0.00 0.00 174.62 176.02 1xqq h LEU 56 N -0.16 -0.01 -0.53 4.79 3.38 -1.52 -3.03 115.31 118.23 1xqq h LEU 56 Ca -0.40 0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.79 1xqq h LEU 56 Cb 1.29 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 42.17 1xqq h LEU 56 CO 0.48 -0.04 0.19 -1.28 0.09 0.00 0.00 178.44 177.88 1xqq h SER 57 N 0.26 0.19 -0.10 -0.43 0.87 -1.67 -0.81 113.55 111.86 1xqq h SER 57 Ca 0.40 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 61.04 1xqq h SER 57 Cb 0.67 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.64 1xqq h SER 57 CO -0.50 0.13 -0.33 0.44 -0.53 0.00 0.00 176.83 176.04 1xqq h ASP 58 N 0.37 -1.06 0.00 6.23 3.32 -1.83 -1.48 116.42 121.97 1xqq h ASP 58 Ca 0.26 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1xqq h ASP 58 Cb 0.29 0.42 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1xqq h ASP 58 CO -0.26 -0.29 0.00 -1.22 -1.72 0.00 0.00 179.24 175.75 1xqq n TYR 59 N -4.31 0.00 -2.76 4.55 4.01 -1.18 -4.88 117.16 112.60 1xqq n TYR 59 Ca -0.04 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.61 1xqq n TYR 59 Cb 0.23 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.31 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 -0.80 -3.16 -4.20 7.72 5.15 -0.56 -5.01 115.26 114.40 1xqq n ASN 60 Ca 0.10 -0.40 -0.38 0.00 -0.60 0.00 0.00 54.58 53.29 1xqq n ASN 60 Cb 0.04 -3.36 -0.11 0.00 -0.53 0.00 0.00 39.78 35.82 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 -3.23 3.78 1.01 -1.44 1.01 -0.37 -5.00 121.20 116.96 1xqq s ILE 61 Ca 0.11 -1.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.00 1xqq s ILE 61 Cb -0.01 -3.40 0.19 0.00 0.01 0.00 0.00 42.46 39.25 1xqq s ILE 61 CO 0.45 -0.54 1.08 0.00 0.00 0.00 0.00 174.94 175.93 1xqq s GLN 62 N 1.31 0.33 0.76 2.79 -2.07 -1.26 -4.59 119.66 116.93 1xqq s GLN 62 Ca 0.04 0.63 -0.15 0.00 -1.82 0.00 0.00 55.36 54.06 1xqq s GLN 62 Cb -0.23 -1.72 0.04 0.00 -1.09 0.00 0.00 33.01 30.01 1xqq s GLN 62 CO -0.01 -2.82 1.10 0.36 -1.32 0.00 0.00 175.29 172.60 1xqq n LYS 63 N -4.26 0.41 -3.73 9.60 -0.00 -1.26 -3.84 118.16 115.08 1xqq n LYS 63 Ca 0.05 0.21 -0.26 0.00 -0.00 0.00 0.00 58.31 58.31 1xqq n LYS 63 Cb 0.56 -2.35 0.05 0.00 -0.00 0.00 0.00 35.03 33.30 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1xqq n GLU 64 N -2.51 -6.70 -3.03 -1.58 1.02 -0.94 -4.98 120.64 101.93 1xqq n GLU 64 Ca 0.13 0.72 -0.40 0.00 -0.02 0.00 0.00 57.16 57.59 1xqq n GLU 64 Cb 0.50 -5.68 -0.05 0.00 -0.02 0.00 0.00 31.44 26.19 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 -3.42 6.90 0.02 1.62 0.01 -1.25 -4.88 113.70 112.70 1xqq s SER 65 Ca 0.56 1.09 -0.30 0.00 1.31 0.00 0.00 55.95 58.61 1xqq s SER 65 Cb -0.26 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 1xqq s SER 65 CO 0.78 -0.22 1.30 -0.89 0.41 0.00 0.00 173.24 174.62 1xqq s THR 66 N 1.39 3.87 0.34 1.44 2.01 -1.26 -2.36 115.64 121.06 1xqq s THR 66 Ca 0.35 1.28 0.09 0.00 0.31 0.00 0.00 61.69 63.73 1xqq s THR 66 Cb -0.17 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 1xqq s THR 66 CO 0.15 0.04 0.05 -0.76 -0.69 0.00 0.00 174.62 173.41 1xqq s LEU 67 N 1.82 3.07 -0.17 4.42 1.43 0.16 -4.69 118.68 124.72 1xqq s LEU 67 Ca 0.61 -0.92 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1xqq s LEU 67 Cb -0.30 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.46 1xqq s LEU 67 CO 0.27 -0.25 -0.20 -1.00 0.23 0.00 0.00 176.35 175.39 1xqq s HIS 68 N -2.49 2.69 -0.46 0.29 3.76 -0.54 -0.37 115.29 118.18 1xqq s HIS 68 Ca 0.36 -1.53 -0.21 0.00 -0.15 0.00 0.00 55.06 53.53 1xqq s HIS 68 Cb -0.01 -1.86 0.03 0.00 1.11 0.00 0.00 32.58 31.85 1xqq s HIS 68 CO 0.20 -0.75 0.68 -1.17 -0.85 0.00 0.00 174.74 172.86 1xqq s LEU 69 N 1.19 4.53 0.02 0.89 2.96 -0.04 -1.81 118.68 126.42 1xqq s LEU 69 Ca 0.02 -0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 53.42 1xqq s LEU 69 Cb -0.14 -2.70 -0.05 0.00 0.50 0.00 0.00 46.19 43.80 1xqq s LEU 69 CO -0.10 -0.86 0.30 -0.69 -1.32 0.00 0.00 176.35 173.69 1xqq s VAL 70 N 2.93 5.25 -0.24 1.68 1.01 0.35 -4.45 120.40 126.93 1xqq s VAL 70 Ca 0.22 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 1xqq s VAL 70 Cb -0.15 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1xqq s VAL 70 CO 0.18 0.37 -0.08 -0.76 0.00 0.00 0.00 175.10 174.81 1xqq s LEU 71 N -1.73 3.06 0.00 3.92 1.43 -1.26 -0.82 118.68 123.29 1xqq s LEU 71 Ca 0.28 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1xqq s LEU 71 Cb -0.13 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 1xqq s LEU 71 CO 0.16 -0.11 0.02 -2.11 0.23 0.00 0.00 176.35 174.54 1xqq n ARG 72 N 4.66 0.84 -3.63 1.70 1.85 0.25 -4.99 116.66 117.34 1xqq n ARG 72 Ca -0.17 -3.31 -0.22 0.00 -1.00 0.00 0.00 57.85 53.15 1xqq n ARG 72 Cb 0.47 1.04 -0.03 0.00 -1.05 0.00 0.00 32.46 32.90 1xqq n ARG 72 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1xqq s LEU 73 N 0.00 3.24 0.23 2.89 1.43 -1.26 -4.32 118.68 120.88 1xqq s LEU 73 Ca 0.03 -0.86 -0.30 0.00 -1.03 0.00 0.00 54.13 51.97 1xqq s LEU 73 Cb 0.00 -1.84 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 1xqq s LEU 73 CO 0.02 -0.76 1.06 -0.60 0.23 0.00 0.00 176.35 176.31 1xqq s ARG 74 N -4.17 4.67 0.00 1.70 3.52 -1.26 -4.83 118.95 118.59 1xqq s ARG 74 Ca 0.46 1.70 0.00 0.00 -0.13 0.00 0.00 55.73 57.75 1xqq s ARG 74 Cb -0.03 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 1xqq s ARG 74 CO 0.27 0.22 0.00 0.41 -0.81 0.00 0.00 175.30 175.39 1xqq n GLY 75 N 1.62 -0.07 0.12 8.12 0.00 -1.26 -5.16 105.19 108.56 1xqq n GLY 75 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 46.02 46.61 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93