#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 3.85 0.07 3.17 -0.21 -1.26 -0.78 119.66 124.51 1xqq s GLN 2 Ca 0.00 -0.04 0.05 0.00 0.02 0.00 0.00 55.36 55.39 1xqq s GLN 2 Cb 0.00 -3.30 -0.03 0.00 1.00 0.00 0.00 33.01 30.68 1xqq s GLN 2 CO 0.00 0.54 -0.13 0.96 -2.12 0.00 0.00 175.29 174.54 1xqq s ILE 3 N -0.40 1.06 -0.28 1.08 -4.36 0.74 -0.32 121.20 118.73 1xqq s ILE 3 Ca 0.15 -1.33 -0.01 0.00 -0.26 0.00 0.00 60.65 59.19 1xqq s ILE 3 Cb -0.13 -1.08 0.04 0.00 1.25 0.00 0.00 42.46 42.55 1xqq s ILE 3 CO 0.04 -0.27 -0.04 -0.36 0.24 0.00 0.00 174.94 174.55 1xqq s PHE 4 N -1.41 3.20 -0.26 1.37 0.08 -0.79 -0.08 117.98 120.10 1xqq s PHE 4 Ca -0.02 -1.85 -0.14 0.00 0.12 0.00 0.00 56.93 55.04 1xqq s PHE 4 Cb -0.09 -2.06 -0.04 0.00 -0.57 0.00 0.00 43.02 40.26 1xqq s PHE 4 CO 0.02 -0.80 0.31 0.08 -0.10 0.00 0.00 175.22 174.74 1xqq s VAL 5 N 1.25 5.23 -0.10 -0.44 1.01 0.39 0.09 120.40 127.83 1xqq s VAL 5 Ca -0.04 0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1xqq s VAL 5 Cb -0.19 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1xqq s VAL 5 CO -0.03 0.22 -0.14 -0.75 0.00 0.00 0.00 175.10 174.40 1xqq s LYS 6 N 1.75 3.05 0.80 2.72 2.20 0.77 -0.48 119.74 130.55 1xqq s LYS 6 Ca 0.13 -0.69 -0.09 0.00 -0.36 0.00 0.00 55.97 54.95 1xqq s LYS 6 Cb -0.15 -2.53 0.12 0.00 -1.51 0.00 0.00 37.83 33.75 1xqq s LYS 6 CO 0.09 0.36 1.13 0.95 -0.36 0.00 0.00 175.35 177.53 1xqq s THR 7 N -0.05 2.13 0.18 3.43 -4.23 0.05 -2.46 115.64 114.68 1xqq s THR 7 Ca -0.03 -0.20 0.10 0.00 -1.18 0.00 0.00 61.69 60.38 1xqq s THR 7 Cb -0.14 -2.93 -0.09 0.00 1.34 0.00 0.00 72.50 70.68 1xqq s THR 7 CO 0.04 0.00 1.47 -0.07 -0.54 0.00 0.00 174.62 175.52 1xqq h LEU 8 N -0.97 0.00 0.33 4.79 3.38 -1.90 -3.24 115.31 117.70 1xqq h LEU 8 Ca -0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1xqq h LEU 8 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1xqq h LEU 8 CO 0.52 0.75 -0.16 0.71 0.09 0.00 0.00 178.44 180.35 1xqq h THR 9 N 0.00 0.00 0.00 0.22 1.35 -1.97 -3.49 112.91 109.02 1xqq h THR 9 Ca -0.01 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1xqq h THR 9 Cb 1.38 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1xqq h THR 9 CO 0.10 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1xqq n GLY 10 N -0.06 -0.06 3.67 5.82 0.00 -1.22 -5.13 105.19 108.21 1xqq n GLY 10 Ca -0.06 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 4.13 -0.21 1.61 2.20 -1.26 -4.92 119.74 121.29 1xqq s LYS 11 Ca 0.00 -0.03 -0.11 0.00 -0.36 0.00 0.00 55.97 55.47 1xqq s LYS 11 Cb 0.00 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 1xqq s LYS 11 CO 0.00 0.03 0.18 0.99 -0.36 0.00 0.00 175.35 176.19 1xqq s THR 12 N 1.11 5.36 -0.34 3.43 2.01 -1.26 -0.77 115.64 125.19 1xqq s THR 12 Ca 0.13 0.26 -0.17 0.00 0.31 0.00 0.00 61.69 62.22 1xqq s THR 12 Cb -0.14 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 1xqq s THR 12 CO 0.06 0.38 0.47 -0.63 -0.69 0.00 0.00 174.62 174.21 1xqq s ILE 13 N 0.72 5.07 -0.15 1.82 1.09 0.36 -4.95 121.20 125.16 1xqq s ILE 13 Ca 0.09 0.33 -0.25 0.00 -1.10 0.00 0.00 60.65 59.72 1xqq s ILE 13 Cb -0.12 -3.90 -0.02 0.00 -1.06 0.00 0.00 42.46 37.36 1xqq s ILE 13 CO 0.02 -0.14 0.81 -0.89 -0.10 0.00 0.00 174.94 174.64 1xqq s THR 14 N 2.27 4.91 -0.14 2.92 2.01 -1.26 -0.46 115.64 125.89 1xqq s THR 14 Ca 0.17 1.60 -0.00 0.00 0.31 0.00 0.00 61.69 63.76 1xqq s THR 14 Cb -0.16 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.22 1xqq s THR 14 CO 0.12 0.07 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.24 1xqq s LEU 15 N 1.91 2.70 -0.40 4.42 1.43 0.89 -4.96 118.68 124.67 1xqq s LEU 15 Ca 0.38 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 52.98 1xqq s LEU 15 Cb -0.17 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1xqq s LEU 15 CO 0.14 0.14 0.30 -1.61 0.23 0.00 0.00 176.35 175.54 1xqq s GLU 16 N 0.52 3.07 0.09 1.70 2.02 -1.26 -0.18 118.70 124.65 1xqq s GLU 16 Ca -0.09 -0.94 0.03 0.00 0.02 0.00 0.00 54.97 54.00 1xqq s GLU 16 Cb -0.16 -3.95 -0.04 0.00 0.10 0.00 0.00 34.13 30.09 1xqq s GLU 16 CO 0.04 -0.70 -0.09 0.14 0.02 0.00 0.00 175.26 174.67 1xqq s VAL 17 N 1.72 0.79 -0.11 2.63 -7.23 0.04 -4.95 120.40 113.29 1xqq s VAL 17 Ca 0.06 -1.61 -0.04 0.00 -1.81 0.00 0.00 61.98 58.58 1xqq s VAL 17 Cb -0.19 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 1xqq s VAL 17 CO 0.10 -0.61 0.06 -1.61 -0.31 0.00 0.00 175.10 172.73 1xqq s GLU 18 N -2.84 3.23 0.28 4.82 2.02 -1.26 -0.82 118.70 124.13 1xqq s GLU 18 Ca 0.04 -0.30 0.25 0.00 0.02 0.00 0.00 54.97 54.99 1xqq s GLU 18 Cb -0.02 -2.97 0.91 0.00 0.10 0.00 0.00 34.13 32.14 1xqq s GLU 18 CO -0.01 0.70 1.76 -1.00 0.02 0.00 0.00 175.26 176.72 1xqq h PRO 19 N 5.21 0.00 -0.00 0.39 0.13 -1.97 -2.91 132.00 132.85 1xqq h PRO 19 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1xqq h PRO 19 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xqq h PRO 19 CO 0.57 0.00 -0.02 -1.13 -0.23 0.00 0.00 178.00 177.19 1xqq n SER 20 N -2.39 0.32 -4.74 1.44 3.41 -1.26 -1.93 113.62 108.48 1xqq n SER 20 Ca 0.03 -0.86 -0.24 0.00 -0.26 0.00 0.00 58.87 57.54 1xqq n SER 20 Cb 0.34 -0.06 0.09 0.00 -0.26 0.00 0.00 64.21 64.32 1xqq n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xqq s ASP 21 N -2.18 4.51 0.35 4.04 -1.08 -1.10 -4.91 116.67 116.30 1xqq s ASP 21 Ca 0.40 -0.01 -0.04 0.00 -0.52 0.00 0.00 52.55 52.38 1xqq s ASP 21 Cb 0.21 -0.50 -0.04 0.00 -1.46 0.00 0.00 42.92 41.12 1xqq s ASP 21 CO 0.40 -1.75 0.61 0.42 0.52 0.00 0.00 175.17 175.37 1xqq s THR 22 N -3.18 5.01 0.22 1.71 -4.23 -1.26 -3.36 115.64 110.55 1xqq s THR 22 Ca 0.64 -0.04 0.07 0.00 -1.18 0.00 0.00 61.69 61.18 1xqq s THR 22 Cb -0.08 -3.80 -0.08 0.00 1.34 0.00 0.00 72.50 69.89 1xqq s THR 22 CO 0.44 -0.52 1.51 0.40 -0.54 0.00 0.00 174.62 175.92 1xqq h ILE 23 N 0.92 1.47 -0.99 2.99 2.04 -1.26 -2.78 117.51 119.90 1xqq h ILE 23 Ca -0.48 -2.34 0.23 0.00 1.00 0.00 0.00 64.86 63.27 1xqq h ILE 23 Cb 1.20 2.26 -0.19 0.00 -0.74 0.00 0.00 36.82 39.35 1xqq h ILE 23 CO 0.64 0.68 -0.15 -0.08 0.00 0.00 0.00 178.15 179.23 1xqq h GLU 24 N 0.06 0.00 -0.74 2.37 4.81 -1.38 -0.91 114.58 118.80 1xqq h GLU 24 Ca -0.01 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1xqq h GLU 24 Cb 1.26 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1xqq h GLU 24 CO 0.10 0.00 0.40 -0.97 -0.73 0.00 0.00 179.01 177.81 1xqq h ASN 25 N 0.00 0.93 -0.50 1.04 -0.73 -1.79 -0.61 115.58 113.91 1xqq h ASN 25 Ca 0.52 -0.10 0.01 0.00 1.87 0.00 0.00 56.30 58.60 1xqq h ASN 25 Cb 0.91 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 39.24 1xqq h ASN 25 CO -0.99 0.76 0.32 0.58 -0.37 0.00 0.00 177.43 177.73 1xqq h VAL 26 N 1.02 1.09 -0.42 2.57 2.07 -1.01 -0.70 116.25 120.87 1xqq h VAL 26 Ca 0.26 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.42 1xqq h VAL 26 Cb 0.05 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1xqq h VAL 26 CO -0.04 0.12 -0.27 0.11 0.02 0.00 0.00 177.57 177.50 1xqq h LYS 27 N 0.64 0.92 0.00 1.57 1.57 -1.05 -2.54 116.57 117.68 1xqq h LYS 27 Ca 0.19 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 1xqq h LYS 27 Cb -0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1xqq h LYS 27 CO -0.07 1.09 -0.14 0.00 -0.57 0.00 0.00 179.45 179.77 1xqq h ALA 28 N 0.81 1.41 -0.18 3.86 0.00 -0.89 0.97 119.26 125.23 1xqq h ALA 28 Ca 0.08 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1xqq h ALA 28 Cb 0.86 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1xqq h ALA 28 CO 0.08 0.17 -0.64 0.87 0.00 0.00 0.00 179.25 179.73 1xqq h LYS 29 N 0.00 0.66 0.00 0.00 1.57 -0.69 -2.33 116.57 115.78 1xqq h LYS 29 Ca -0.00 -0.46 -0.16 0.00 -1.87 0.00 0.00 60.65 58.16 1xqq h LYS 29 Cb 0.32 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1xqq h LYS 29 CO 0.02 1.08 -0.74 0.82 -0.57 0.00 0.00 179.45 180.06 1xqq h ILE 30 N 0.48 1.44 -0.00 1.86 2.04 -1.31 -1.47 117.51 120.55 1xqq h ILE 30 Ca -0.01 -2.63 0.01 0.00 1.00 0.00 0.00 64.86 63.22 1xqq h ILE 30 Cb 1.22 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 1xqq h ILE 30 CO 0.13 0.73 -0.03 -0.61 0.00 0.00 0.00 178.15 178.37 1xqq h GLN 31 N 0.00 -0.04 0.14 2.37 4.15 -0.74 -1.58 115.11 119.41 1xqq h GLN 31 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1xqq h GLN 31 Cb 1.40 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 29.10 1xqq h GLN 31 CO 0.10 -0.03 -0.09 0.22 -1.93 0.00 0.00 178.83 177.10 1xqq h ASP 32 N -0.04 -0.22 0.30 -0.69 3.58 -1.27 -2.89 116.42 115.19 1xqq h ASP 32 Ca 0.01 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1xqq h ASP 32 Cb 0.06 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1xqq h ASP 32 CO -0.03 -0.13 -0.15 0.11 -2.88 0.00 0.00 179.24 176.16 1xqq h LYS 33 N -0.21 -0.39 0.05 0.28 1.57 -1.41 -3.39 116.57 113.06 1xqq h LYS 33 Ca -0.02 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xqq h LYS 33 Cb 0.17 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1xqq h LYS 33 CO 0.02 -0.26 -0.02 0.93 -0.57 0.00 0.00 179.45 179.55 1xqq h GLU 34 N -0.82 -0.06 0.00 3.15 4.39 -1.65 -3.49 114.58 116.09 1xqq h GLU 34 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1xqq h GLU 34 Cb 0.31 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1xqq h GLU 34 CO 0.07 0.49 0.00 0.41 -1.16 0.00 0.00 179.01 178.82 1xqq n GLY 35 N 0.53 1.12 3.05 -3.84 0.00 -0.63 -5.03 105.19 100.39 1xqq n GLY 35 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 1.53 0.99 -0.61 1.01 -1.15 -4.97 121.20 116.00 1xqq s ILE 36 Ca 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 1xqq s ILE 36 Cb 0.00 -1.40 0.20 0.00 0.01 0.00 0.00 42.46 41.26 1xqq s ILE 36 CO 0.00 0.45 1.23 -2.84 0.00 0.00 0.00 174.94 173.78 1xqq s PRO 37 N 1.06 0.43 0.18 2.79 0.02 -1.26 -3.01 135.00 135.22 1xqq s PRO 37 Ca -0.05 -0.16 0.03 0.00 0.02 0.00 0.00 61.00 60.84 1xqq s PRO 37 Cb -0.15 -1.80 0.07 0.00 0.02 0.00 0.00 34.50 32.64 1xqq s PRO 37 CO -0.03 -2.59 1.43 -1.00 -0.33 0.00 0.00 177.00 174.48 1xqq h PRO 38 N -1.77 0.21 -0.77 5.54 0.13 -1.92 -2.28 132.00 131.13 1xqq h PRO 38 Ca -0.46 -0.20 0.04 0.00 -0.87 0.00 0.00 66.00 64.51 1xqq h PRO 38 Cb 1.27 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 1xqq h PRO 38 CO 0.44 0.90 0.48 0.22 -0.23 0.00 0.00 178.00 179.82 1xqq h ASP 39 N 0.13 0.79 0.33 1.44 3.58 -2.00 -3.15 116.42 117.54 1xqq h ASP 39 Ca -0.03 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.10 1xqq h ASP 39 Cb 1.39 -0.17 0.03 0.00 1.72 0.00 0.00 39.33 42.30 1xqq h ASP 39 CO 0.12 0.54 -1.38 -0.61 -2.88 0.00 0.00 179.24 175.03 1xqq h GLN 40 N 0.93 0.49 -7.54 0.28 4.15 -1.91 -3.44 115.11 108.07 1xqq h GLN 40 Ca 0.32 -0.80 -0.48 0.00 0.77 0.00 0.00 58.65 58.45 1xqq h GLN 40 Cb 0.05 0.29 0.09 0.00 0.21 0.00 0.00 27.48 28.12 1xqq h GLN 40 CO -0.13 1.38 0.41 1.14 -1.93 0.00 0.00 178.83 179.70 1xqq s GLN 41 N -2.69 2.41 -0.09 1.69 -2.07 -0.86 0.56 119.66 118.60 1xqq s GLN 41 Ca -0.08 0.28 -0.00 0.00 -1.82 0.00 0.00 55.36 53.74 1xqq s GLN 41 Cb 0.05 -1.99 0.02 0.00 -1.09 0.00 0.00 33.01 30.01 1xqq s GLN 41 CO 0.93 -1.31 -0.06 0.50 -1.32 0.00 0.00 175.29 174.03 1xqq s ARG 42 N -5.47 1.24 -0.25 9.60 3.52 0.43 -4.04 118.95 123.99 1xqq s ARG 42 Ca 0.60 -0.16 -0.06 0.00 -0.13 0.00 0.00 55.73 55.98 1xqq s ARG 42 Cb -0.11 -1.34 -0.01 0.00 -1.56 0.00 0.00 34.95 31.92 1xqq s ARG 42 CO 0.50 -0.23 0.03 -1.17 -0.81 0.00 0.00 175.30 173.62 1xqq s LEU 43 N 1.61 3.32 -0.06 -0.88 2.96 -1.26 -1.19 118.68 123.17 1xqq s LEU 43 Ca 0.02 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 1xqq s LEU 43 Cb -0.13 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 1xqq s LEU 43 CO -0.06 -0.06 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.07 1xqq s ILE 44 N 1.54 2.34 -0.27 6.68 1.01 0.90 -0.76 121.20 132.64 1xqq s ILE 44 Ca 0.05 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1xqq s ILE 44 Cb -0.15 -1.88 0.06 0.00 0.01 0.00 0.00 42.46 40.50 1xqq s ILE 44 CO 0.01 0.57 -0.08 0.12 0.00 0.00 0.00 174.94 175.56 1xqq s PHE 45 N -0.22 3.29 0.00 3.97 5.36 0.82 -0.53 117.98 130.67 1xqq s PHE 45 Ca -0.01 -2.25 0.00 0.00 -0.96 0.00 0.00 56.93 53.71 1xqq s PHE 45 Cb -0.13 -2.02 0.00 0.00 -0.34 0.00 0.00 43.02 40.53 1xqq s PHE 45 CO 0.03 -0.87 0.00 0.00 -1.46 0.00 0.00 175.22 172.93 1xqq n ALA 46 N 4.47 0.00 0.04 11.12 0.00 -1.26 -0.91 120.51 133.97 1xqq n ALA 46 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 1xqq n ALA 46 Cb 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 1xqq n ALA 46 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xqq h GLY 47 N 0.00 0.32 -4.77 0.00 0.00 -2.01 -3.49 103.07 93.12 1xqq h GLY 47 Ca 0.00 -0.82 -0.66 0.00 0.00 0.00 0.00 47.33 45.85 1xqq h GLY 47 CO 0.00 0.72 -0.64 0.54 0.00 0.00 0.00 176.54 177.16 1xqq s LYS 48 N -2.58 2.75 0.18 4.80 1.02 -0.09 -5.09 119.74 120.73 1xqq s LYS 48 Ca -0.15 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 54.88 1xqq s LYS 48 Cb 0.06 -2.65 -0.08 0.00 -0.52 0.00 0.00 37.83 34.64 1xqq s LYS 48 CO 0.83 0.60 0.91 -1.14 -0.92 0.00 0.00 175.35 175.62 1xqq s GLN 49 N -1.83 4.75 -0.35 1.68 0.74 -1.26 -0.13 119.66 123.25 1xqq s GLN 49 Ca 0.22 1.40 -0.21 0.00 0.05 0.00 0.00 55.36 56.81 1xqq s GLN 49 Cb -0.12 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.69 1xqq s GLN 49 CO 0.14 0.44 0.68 -0.51 -0.55 0.00 0.00 175.29 175.48 1xqq s LEU 50 N -0.82 4.21 0.21 3.68 1.43 0.06 -4.92 118.68 122.52 1xqq s LEU 50 Ca 0.41 0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 53.55 1xqq s LEU 50 Cb -0.25 -2.86 -0.08 0.00 0.03 0.00 0.00 46.19 43.04 1xqq s LEU 50 CO 0.30 -0.62 0.72 -1.61 0.23 0.00 0.00 176.35 175.36 1xqq s GLU 51 N 2.81 4.27 0.13 1.70 0.41 -1.26 -4.76 118.70 122.00 1xqq s GLU 51 Ca 0.26 0.88 -0.20 0.00 -0.41 0.00 0.00 54.97 55.50 1xqq s GLU 51 Cb -0.14 -2.93 -0.01 0.00 -1.78 0.00 0.00 34.13 29.27 1xqq s GLU 51 CO 0.15 0.42 1.70 -0.44 -0.49 0.00 0.00 175.26 176.61 1xqq h ASP 52 N 3.54 -0.18 0.27 -0.19 3.32 -1.96 -3.20 116.42 118.02 1xqq h ASP 52 Ca -0.48 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1xqq h ASP 52 Cb 1.19 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1xqq h ASP 52 CO 0.65 -0.06 -0.19 0.61 -1.72 0.00 0.00 179.24 178.53 1xqq n GLY 53 N -1.21 -0.70 3.96 2.75 0.00 -1.26 -1.09 105.19 107.64 1xqq n GLY 53 Ca -0.02 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.46 0.85 0.50 1.61 0.52 -1.21 -4.94 118.95 113.82 1xqq s ARG 54 Ca 0.27 -0.71 0.06 0.00 -0.52 0.00 0.00 55.73 54.82 1xqq s ARG 54 Cb 0.20 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.68 1xqq s ARG 54 CO 0.49 -2.18 0.33 0.95 0.02 0.00 0.00 175.30 174.91 1xqq s THR 55 N -3.68 1.87 -0.07 0.02 -4.23 -1.26 -2.27 115.64 106.03 1xqq s THR 55 Ca 0.73 -1.54 0.13 0.00 -1.18 0.00 0.00 61.69 59.82 1xqq s THR 55 Cb -0.03 -2.42 -0.07 0.00 1.34 0.00 0.00 72.50 71.32 1xqq s THR 55 CO 0.51 0.00 1.23 -0.07 -0.54 0.00 0.00 174.62 175.75 1xqq h LEU 56 N 0.95 0.00 -0.91 4.79 4.07 -1.49 -3.09 115.31 119.63 1xqq h LEU 56 Ca -0.39 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.49 1xqq h LEU 56 Cb 1.29 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.01 1xqq h LEU 56 CO 0.61 0.69 -0.10 0.77 -1.08 0.00 0.00 178.44 179.33 1xqq h SER 57 N 0.00 0.68 0.28 -0.43 4.64 -1.69 -0.72 113.55 116.31 1xqq h SER 57 Ca -0.05 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1xqq h SER 57 Cb 1.57 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1xqq h SER 57 CO 0.08 0.81 -0.14 -0.78 -0.87 0.00 0.00 176.83 175.93 1xqq h ASP 58 N 0.64 -0.32 0.66 4.97 3.58 -1.84 -2.94 116.42 121.17 1xqq h ASP 58 Ca 0.11 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1xqq h ASP 58 Cb 0.54 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1xqq h ASP 58 CO 0.03 -0.21 0.00 1.88 -2.88 0.00 0.00 179.24 178.06 1xqq h TYR 59 N -0.40 0.00 -5.58 0.28 -1.99 -1.59 -3.47 116.97 104.21 1xqq h TYR 59 Ca -0.04 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.39 1xqq h TYR 59 Cb 0.31 0.00 0.18 0.00 2.00 0.00 0.00 36.73 39.21 1xqq h TYR 59 CO -0.05 0.00 -0.82 0.09 -0.00 0.00 0.00 178.16 177.38 1xqq n ASN 60 N -2.69 -4.32 -4.61 3.88 3.02 -0.75 -4.98 115.26 104.81 1xqq n ASN 60 Ca 0.00 -0.68 -0.42 0.00 -0.03 0.00 0.00 54.58 53.45 1xqq n ASN 60 Cb 0.22 -5.09 -0.05 0.00 -0.61 0.00 0.00 39.78 34.25 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 -3.39 4.79 0.27 2.41 1.01 -0.35 -5.02 121.20 120.92 1xqq s ILE 61 Ca 0.23 1.15 0.03 0.00 0.00 0.00 0.00 60.65 62.07 1xqq s ILE 61 Cb -0.03 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 1xqq s ILE 61 CO 0.74 -0.26 0.41 -1.10 0.00 0.00 0.00 174.94 174.73 1xqq s GLN 62 N 2.96 3.46 0.16 2.79 -1.52 -1.26 -4.78 119.66 121.46 1xqq s GLN 62 Ca 0.32 -0.62 -0.34 0.00 -1.95 0.00 0.00 55.36 52.77 1xqq s GLN 62 Cb -0.14 -2.83 -0.15 0.00 -0.22 0.00 0.00 33.01 29.68 1xqq s GLN 62 CO 0.13 0.35 1.40 0.36 -0.25 0.00 0.00 175.29 177.28 1xqq n LYS 63 N -1.47 1.69 -2.33 2.91 2.85 -1.26 -2.67 118.16 117.88 1xqq n LYS 63 Ca -0.08 0.61 -0.08 0.00 -1.05 0.00 0.00 58.31 57.72 1xqq n LYS 63 Cb 0.57 -2.27 0.00 0.00 -0.65 0.00 0.00 35.03 32.68 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 2.55 -1.14 -2.55 -1.58 1.02 0.56 -5.01 120.64 114.49 1xqq n GLU 64 Ca 0.16 0.34 -0.39 0.00 -0.02 0.00 0.00 57.16 57.24 1xqq n GLU 64 Cb 0.26 -4.11 -0.05 0.00 -0.02 0.00 0.00 31.44 27.53 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 -2.78 7.22 -0.24 1.62 0.01 -1.09 -4.84 113.70 113.60 1xqq s SER 65 Ca 0.05 2.15 -0.23 0.00 1.31 0.00 0.00 55.95 59.23 1xqq s SER 65 Cb -0.02 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 1xqq s SER 65 CO 0.06 -0.17 0.76 -0.89 0.41 0.00 0.00 173.24 173.42 1xqq s THR 66 N -1.29 4.89 0.05 1.44 2.01 -1.26 -1.88 115.64 119.61 1xqq s THR 66 Ca 0.47 1.42 0.06 0.00 0.31 0.00 0.00 61.69 63.95 1xqq s THR 66 Cb -0.28 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 1xqq s THR 66 CO 0.36 -0.03 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.40 1xqq s LEU 67 N 2.64 3.00 -0.02 4.42 1.02 0.11 -4.62 118.68 125.22 1xqq s LEU 67 Ca 0.32 -0.30 0.06 0.00 0.02 0.00 0.00 54.13 54.23 1xqq s LEU 67 Cb -0.15 -1.76 -0.02 0.00 0.02 0.00 0.00 46.19 44.27 1xqq s LEU 67 CO 0.08 0.23 -0.21 -1.00 0.02 0.00 0.00 176.35 175.47 1xqq s HIS 68 N -1.07 2.47 -0.06 0.29 3.76 0.31 -0.16 115.29 120.83 1xqq s HIS 68 Ca 0.18 -0.33 0.06 0.00 -0.15 0.00 0.00 55.06 54.83 1xqq s HIS 68 Cb -0.11 -1.54 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 1xqq s HIS 68 CO 0.10 0.07 -0.25 -1.17 -0.85 0.00 0.00 174.74 172.64 1xqq s LEU 69 N -0.74 2.10 0.00 0.89 2.96 -1.03 -0.07 118.68 122.79 1xqq s LEU 69 Ca 0.11 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1xqq s LEU 69 Cb -0.10 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 1xqq s LEU 69 CO 0.00 0.25 0.14 0.52 -1.32 0.00 0.00 176.35 175.95 1xqq n VAL 70 N 2.90 0.00 -2.71 1.68 0.31 -0.34 -4.39 118.33 115.78 1xqq n VAL 70 Ca -0.17 -1.65 -0.23 0.00 -0.01 0.00 0.00 64.34 62.28 1xqq n VAL 70 Cb 0.52 0.70 0.03 0.00 -0.91 0.00 0.00 33.84 34.18 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xqq s LEU 71 N 0.00 3.37 -0.31 7.52 1.43 -1.26 -0.43 118.68 129.00 1xqq s LEU 71 Ca 0.20 0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.40 1xqq s LEU 71 Cb 0.01 -3.05 -0.00 0.00 0.03 0.00 0.00 46.19 43.18 1xqq s LEU 71 CO 0.14 -1.01 0.14 -0.60 0.23 0.00 0.00 176.35 175.26 1xqq s ARG 72 N -4.74 3.25 0.00 1.70 3.52 0.19 -4.05 118.95 118.82 1xqq s ARG 72 Ca 0.54 -0.77 -0.21 0.00 -0.13 0.00 0.00 55.73 55.15 1xqq s ARG 72 Cb -0.10 -3.53 -0.12 0.00 -1.56 0.00 0.00 34.95 29.64 1xqq s ARG 72 CO 0.39 -0.44 0.97 1.25 -0.81 0.00 0.00 175.30 176.66 1xqq h LEU 73 N 8.33 -0.65 0.00 -0.88 5.85 -1.95 -3.48 115.31 122.53 1xqq h LEU 73 Ca -0.31 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1xqq h LEU 73 Cb 1.14 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1xqq h LEU 73 CO 0.62 -0.32 0.00 -1.14 -0.34 0.00 0.00 178.44 177.26 1xqq n ARG 74 N -4.92 0.00 -3.53 1.25 3.00 -1.26 -5.18 116.66 106.02 1xqq n ARG 74 Ca -0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.63 1xqq n ARG 74 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.72 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 0.00 -0.46 0.00 5.14 0.00 -1.26 -5.20 107.32 105.54 1xqq s GLY 75 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1xqq s GLY 75 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.82