#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 2.28 0.21 3.17 -2.07 -1.26 -1.30 119.66 120.68 1xqq s GLN 2 Ca 0.00 -0.88 0.06 0.00 -1.82 0.00 0.00 55.36 52.73 1xqq s GLN 2 Cb 0.00 -2.33 -0.05 0.00 -1.09 0.00 0.00 33.01 29.55 1xqq s GLN 2 CO 0.00 0.56 -0.10 0.96 -1.32 0.00 0.00 175.29 175.39 1xqq s ILE 3 N -0.97 1.49 -0.00 3.63 -4.36 -0.52 -0.06 121.20 120.40 1xqq s ILE 3 Ca 0.16 -2.14 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 1xqq s ILE 3 Cb -0.11 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.46 1xqq s ILE 3 CO 0.07 -0.55 0.06 -0.36 0.24 0.00 0.00 174.94 174.40 1xqq s PHE 4 N -3.13 3.24 -0.12 1.37 0.08 0.13 -1.15 117.98 118.40 1xqq s PHE 4 Ca 0.23 0.18 0.02 0.00 0.12 0.00 0.00 56.93 57.48 1xqq s PHE 4 Cb 0.02 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.76 1xqq s PHE 4 CO 0.06 0.53 -0.18 0.08 -0.10 0.00 0.00 175.22 175.62 1xqq s VAL 5 N -1.17 1.72 -0.03 -0.44 1.01 0.72 -0.63 120.40 121.57 1xqq s VAL 5 Ca 0.22 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 1xqq s VAL 5 Cb -0.12 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1xqq s VAL 5 CO 0.13 0.48 0.24 -0.75 0.00 0.00 0.00 175.10 175.21 1xqq s LYS 6 N 0.94 3.57 0.48 2.72 2.47 0.13 -0.72 119.74 129.33 1xqq s LYS 6 Ca -0.06 -0.06 0.05 0.00 -1.56 0.00 0.00 55.97 54.33 1xqq s LYS 6 Cb -0.15 -3.12 0.09 0.00 -1.46 0.00 0.00 37.83 33.18 1xqq s LYS 6 CO -0.02 0.69 0.66 0.25 0.16 0.00 0.00 175.35 177.09 1xqq n THR 7 N 1.39 0.00 0.00 3.43 -2.24 -0.25 -0.71 114.28 115.90 1xqq n THR 7 Ca -0.14 -1.35 -0.17 0.00 -2.27 0.00 0.00 64.05 60.12 1xqq n THR 7 Cb 0.53 -0.78 -0.12 0.00 -2.10 0.00 0.00 70.33 67.87 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 0.42 0.30 3.22 6.46 -1.71 -3.35 115.31 120.66 1xqq h LEU 8 Ca -0.22 -0.81 -0.01 0.00 -0.12 0.00 0.00 57.88 56.72 1xqq h LEU 8 Cb 0.93 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1xqq h LEU 8 CO 0.28 1.18 -0.15 0.71 -0.62 0.00 0.00 178.44 179.85 1xqq h THR 9 N -0.28 0.70 0.00 1.05 1.35 -1.96 -3.48 112.91 110.29 1xqq h THR 9 Ca -0.07 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1xqq h THR 9 Cb 1.28 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1xqq h THR 9 CO 0.10 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1xqq n GLY 10 N -0.30 0.66 3.15 5.82 0.00 -1.26 -5.18 105.19 108.10 1xqq n GLY 10 Ca -0.09 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 1xqq n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 11 N 0.00 0.78 -0.36 1.61 1.02 -1.26 -4.92 119.74 116.61 1xqq s LYS 11 Ca 0.00 -1.02 -0.07 0.00 0.02 0.00 0.00 55.97 54.90 1xqq s LYS 11 Cb 0.00 -0.58 0.05 0.00 -0.52 0.00 0.00 37.83 36.78 1xqq s LYS 11 CO 0.00 0.11 0.14 0.99 -0.92 0.00 0.00 175.35 175.67 1xqq s THR 12 N -1.88 3.90 -0.01 2.17 2.01 -1.26 -1.09 115.64 119.47 1xqq s THR 12 Ca 0.00 -1.20 -0.17 0.00 0.31 0.00 0.00 61.69 60.63 1xqq s THR 12 Cb -0.06 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 1xqq s THR 12 CO 0.01 -0.26 0.47 -0.63 -0.69 0.00 0.00 174.62 173.51 1xqq s ILE 13 N 1.41 5.00 -0.19 1.82 1.01 0.10 -4.92 121.20 125.42 1xqq s ILE 13 Ca -0.00 0.97 -0.01 0.00 0.00 0.00 0.00 60.65 61.61 1xqq s ILE 13 Cb -0.20 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.48 1xqq s ILE 13 CO 0.03 0.50 -0.14 -0.89 0.00 0.00 0.00 174.94 174.44 1xqq s THR 14 N -0.61 2.61 0.06 2.92 2.01 -1.26 -0.20 115.64 121.16 1xqq s THR 14 Ca 0.26 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.56 1xqq s THR 14 Cb -0.17 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1xqq s THR 14 CO 0.14 0.49 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.67 1xqq s LEU 15 N 1.31 2.86 -0.00 4.42 1.43 -0.30 -4.98 118.68 123.41 1xqq s LEU 15 Ca 0.04 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 1xqq s LEU 15 Cb -0.14 -1.67 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 1xqq s LEU 15 CO -0.08 0.23 0.48 -1.61 0.23 0.00 0.00 176.35 175.60 1xqq s GLU 16 N -1.70 4.10 0.05 1.70 2.02 -1.26 -1.44 118.70 122.16 1xqq s GLU 16 Ca 0.17 0.53 -0.02 0.00 0.02 0.00 0.00 54.97 55.67 1xqq s GLU 16 Cb -0.11 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 1xqq s GLU 16 CO 0.08 0.56 -0.01 0.14 0.02 0.00 0.00 175.26 176.06 1xqq s VAL 17 N -0.72 0.19 0.00 2.63 -7.23 -0.42 -4.97 120.40 109.88 1xqq s VAL 17 Ca 0.26 -1.56 -0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1xqq s VAL 17 Cb -0.17 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 1xqq s VAL 17 CO 0.15 -0.86 0.08 -0.70 -0.31 0.00 0.00 175.10 173.45 1xqq s GLU 18 N -3.38 3.05 0.00 4.82 2.12 -1.26 -1.97 118.70 122.08 1xqq s GLU 18 Ca 0.02 -0.50 0.27 0.00 0.36 0.00 0.00 54.97 55.11 1xqq s GLU 18 Cb 0.04 -2.84 1.27 0.00 0.26 0.00 0.00 34.13 32.86 1xqq s GLU 18 CO -0.08 0.64 1.90 -0.35 -0.54 0.00 0.00 175.26 176.83 1xqq n PRO 19 N 1.13 0.22 -0.61 4.30 -0.04 -1.26 -2.86 135.00 135.88 1xqq n PRO 19 Ca -0.13 0.03 0.10 0.00 -0.04 0.00 0.00 63.50 63.46 1xqq n PRO 19 Cb 0.53 -1.50 0.36 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 -1.38 4.77 -4.78 3.54 7.64 -1.26 -1.84 113.62 120.32 1xqq n SER 20 Ca 0.10 -2.44 -0.22 0.00 1.01 0.00 0.00 58.87 57.32 1xqq n SER 20 Cb 0.26 -0.58 -0.05 0.00 -1.01 0.00 0.00 64.21 62.83 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 -0.92 5.23 0.72 6.43 1.01 -1.13 -4.97 116.67 123.04 1xqq s ASP 21 Ca 0.51 -0.38 -0.05 0.00 0.71 0.00 0.00 52.55 53.34 1xqq s ASP 21 Cb 0.33 -1.21 0.10 0.00 1.01 0.00 0.00 42.92 43.14 1xqq s ASP 21 CO 0.25 -0.05 1.01 0.42 0.21 0.00 0.00 175.17 177.00 1xqq s THR 22 N -2.20 2.26 0.15 -1.27 -4.23 -1.26 -3.58 115.64 105.50 1xqq s THR 22 Ca 0.33 -0.40 0.16 0.00 -1.18 0.00 0.00 61.69 60.60 1xqq s THR 22 Cb -0.07 -2.86 0.08 0.00 1.34 0.00 0.00 72.50 70.99 1xqq s THR 22 CO 0.24 0.00 1.66 0.40 -0.54 0.00 0.00 174.62 176.38 1xqq h ILE 23 N -0.60 1.01 0.00 2.99 1.08 -1.38 -1.59 117.51 119.02 1xqq h ILE 23 Ca -0.42 -1.79 -0.01 0.00 -0.39 0.00 0.00 64.86 62.26 1xqq h ILE 23 Cb 1.29 2.06 -0.00 0.00 -3.07 0.00 0.00 36.82 37.10 1xqq h ILE 23 CO 0.50 0.45 -0.05 -0.08 -0.69 0.00 0.00 178.15 178.27 1xqq h GLU 24 N 0.00 0.00 0.20 2.37 4.57 -1.65 0.20 114.58 120.27 1xqq h GLU 24 Ca -0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.87 1xqq h GLU 24 Cb 1.03 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.64 1xqq h GLU 24 CO 0.06 0.05 -1.44 -0.97 -1.18 0.00 0.00 179.01 175.53 1xqq h ASN 25 N 0.00 0.67 -0.93 1.04 -0.73 -1.71 -2.74 115.58 111.19 1xqq h ASN 25 Ca -0.00 -0.92 0.06 0.00 1.87 0.00 0.00 56.30 57.30 1xqq h ASN 25 Cb 0.32 -0.22 -0.06 0.00 0.27 0.00 0.00 38.32 38.63 1xqq h ASN 25 CO 0.01 1.67 0.59 0.58 -0.37 0.00 0.00 177.43 179.91 1xqq h VAL 26 N -0.01 1.09 -0.65 2.57 2.07 -0.52 -0.45 116.25 120.35 1xqq h VAL 26 Ca -0.27 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1xqq h VAL 26 Cb 2.01 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1xqq h VAL 26 CO 0.20 0.20 0.23 0.11 0.02 0.00 0.00 177.57 178.33 1xqq h LYS 27 N 1.09 1.00 0.00 1.57 1.57 -0.79 -2.67 116.57 118.34 1xqq h LYS 27 Ca 0.39 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1xqq h LYS 27 Cb 0.13 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1xqq h LYS 27 CO -0.16 0.86 -0.21 0.00 -0.57 0.00 0.00 179.45 179.37 1xqq h ALA 28 N 1.09 1.20 0.03 3.86 0.00 -1.09 -1.42 119.26 122.92 1xqq h ALA 28 Ca 0.21 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1xqq h ALA 28 Cb 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xqq h ALA 28 CO -0.01 0.26 -1.01 0.87 0.00 0.00 0.00 179.25 179.36 1xqq h LYS 29 N 0.00 0.07 -0.29 0.00 1.57 -0.89 -1.16 116.57 115.86 1xqq h LYS 29 Ca -0.00 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 1xqq h LYS 29 Cb 0.55 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1xqq h LYS 29 CO 0.03 1.02 -0.18 0.82 -0.57 0.00 0.00 179.45 180.57 1xqq h ILE 30 N 0.02 1.25 -0.33 1.86 2.04 -1.12 -1.82 117.51 119.42 1xqq h ILE 30 Ca -0.04 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1xqq h ILE 30 Cb 1.74 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 1xqq h ILE 30 CO 0.14 0.37 0.22 -0.61 0.00 0.00 0.00 178.15 178.27 1xqq h GLN 31 N 0.48 0.43 0.19 2.37 4.15 -1.30 0.58 115.11 122.00 1xqq h GLN 31 Ca 0.08 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.49 1xqq h GLN 31 Cb 0.58 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 1xqq h GLN 31 CO 0.04 0.28 -0.37 0.22 -1.93 0.00 0.00 178.83 177.07 1xqq h ASP 32 N 0.44 -1.07 0.00 -0.69 3.58 -1.06 -1.79 116.42 115.83 1xqq h ASP 32 Ca 0.12 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1xqq h ASP 32 Cb -0.05 0.39 0.00 0.00 1.72 0.00 0.00 39.33 41.39 1xqq h ASP 32 CO -0.03 -0.47 0.00 0.29 -2.88 0.00 0.00 179.24 176.15 1xqq n LYS 33 N -5.45 0.00 0.08 0.28 5.02 -0.70 -4.63 118.16 112.76 1xqq n LYS 33 Ca -0.08 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.16 1xqq n LYS 33 Cb 0.36 -0.82 -0.04 0.00 -0.02 0.00 0.00 35.03 34.51 1xqq n LYS 33 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1xqq h GLU 34 N 0.00 0.01 0.00 1.97 4.39 -1.07 -3.48 114.58 116.40 1xqq h GLU 34 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1xqq h GLU 34 Cb 0.00 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1xqq h GLU 34 CO 0.00 0.90 0.00 0.41 -1.16 0.00 0.00 179.01 179.16 1xqq n GLY 35 N 1.05 0.81 3.71 -3.84 0.00 -0.67 -4.97 105.19 101.28 1xqq n GLY 35 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 3.47 0.56 -0.61 -1.09 -1.26 -4.89 121.20 115.38 1xqq s ILE 36 Ca 0.00 1.02 -0.19 0.00 -2.23 0.00 0.00 60.65 59.25 1xqq s ILE 36 Cb 0.00 -3.65 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1xqq s ILE 36 CO 0.00 0.06 1.16 -2.84 -1.23 0.00 0.00 174.94 172.09 1xqq s PRO 37 N 1.42 3.21 0.44 2.79 0.02 -1.26 -4.16 135.00 137.46 1xqq s PRO 37 Ca 0.64 1.70 0.28 0.00 0.02 0.00 0.00 61.00 63.65 1xqq s PRO 37 Cb -0.35 -1.98 0.98 0.00 0.02 0.00 0.00 34.50 33.17 1xqq s PRO 37 CO 0.29 -0.99 1.82 -1.35 -0.33 0.00 0.00 177.00 176.45 1xqq h PRO 38 N 1.09 0.00 0.00 5.54 0.11 -1.94 -2.51 132.00 134.29 1xqq h PRO 38 Ca -0.50 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1xqq h PRO 38 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1xqq h PRO 38 CO 0.56 0.00 -0.28 0.38 -0.21 0.00 0.00 178.00 178.45 1xqq h ASP 39 N 0.00 0.00 0.42 -2.05 3.04 -1.99 -3.32 116.42 112.51 1xqq h ASP 39 Ca 0.00 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.69 1xqq h ASP 39 Cb 0.63 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.91 1xqq h ASP 39 CO 0.00 0.28 -1.67 1.67 -2.04 0.00 0.00 179.24 177.47 1xqq n GLN 40 N -3.67 0.64 -2.91 4.15 7.27 -0.95 -4.74 117.38 117.16 1xqq n GLN 40 Ca -0.01 0.02 -0.42 0.00 0.07 0.00 0.00 57.00 56.66 1xqq n GLN 40 Cb 0.40 -1.67 -0.05 0.00 2.41 0.00 0.00 30.24 31.33 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1xqq s GLN 41 N -3.17 4.07 -0.28 3.69 -0.21 -1.18 -1.85 119.66 120.73 1xqq s GLN 41 Ca -0.05 0.76 -0.06 0.00 0.02 0.00 0.00 55.36 56.02 1xqq s GLN 41 Cb 0.10 -3.69 0.00 0.00 1.00 0.00 0.00 33.01 30.43 1xqq s GLN 41 CO 0.84 -0.61 0.06 0.50 -2.12 0.00 0.00 175.29 173.96 1xqq s ARG 42 N 2.92 3.19 -0.37 2.91 3.52 -0.38 -4.75 118.95 125.99 1xqq s ARG 42 Ca 0.34 -0.78 -0.12 0.00 -0.13 0.00 0.00 55.73 55.03 1xqq s ARG 42 Cb -0.15 -3.30 0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1xqq s ARG 42 CO 0.10 -0.38 0.23 -0.51 -0.81 0.00 0.00 175.30 173.94 1xqq s LEU 43 N 1.50 4.72 -0.22 -0.88 1.43 -1.26 -0.30 118.68 123.67 1xqq s LEU 43 Ca 0.03 -0.83 -0.09 0.00 -1.03 0.00 0.00 54.13 52.22 1xqq s LEU 43 Cb -0.17 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1xqq s LEU 43 CO 0.02 -0.36 0.10 -0.63 0.23 0.00 0.00 176.35 175.71 1xqq s ILE 44 N 1.62 4.88 -0.13 -0.59 -1.09 0.24 -2.53 121.20 123.60 1xqq s ILE 44 Ca 0.04 0.01 0.02 0.00 -2.23 0.00 0.00 60.65 58.48 1xqq s ILE 44 Cb -0.19 -3.25 -0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1xqq s ILE 44 CO 0.08 0.38 -0.19 0.12 -1.23 0.00 0.00 174.94 174.10 1xqq s PHE 45 N 1.01 2.71 0.00 3.97 5.36 -0.54 -1.53 117.98 128.96 1xqq s PHE 45 Ca 0.05 -1.05 0.00 0.00 -0.96 0.00 0.00 56.93 54.97 1xqq s PHE 45 Cb -0.14 -1.82 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 1xqq s PHE 45 CO 0.03 -0.45 0.00 0.00 -1.46 0.00 0.00 175.22 173.34 1xqq n ALA 46 N 3.85 0.00 -2.56 11.12 0.00 -1.26 -2.29 120.51 129.37 1xqq n ALA 46 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.26 1xqq n ALA 46 Cb 0.52 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.00 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 1.27 3.08 0.00 0.00 -1.26 -5.04 105.19 103.24 1xqq n GLY 47 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.19 0.30 -0.12 1.61 2.20 -0.97 -5.14 119.74 116.44 1xqq s LYS 48 Ca 0.26 0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.62 1xqq s LYS 48 Cb 0.32 0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.77 1xqq s LYS 48 CO -0.10 -0.06 0.99 -1.14 -0.36 0.00 0.00 175.35 174.68 1xqq s GLN 49 N -0.37 4.40 0.17 4.03 0.74 -1.26 -1.47 119.66 125.90 1xqq s GLN 49 Ca -0.05 1.36 -0.31 0.00 0.05 0.00 0.00 55.36 56.41 1xqq s GLN 49 Cb -0.03 -3.55 -0.09 0.00 1.10 0.00 0.00 33.01 30.43 1xqq s GLN 49 CO 0.01 -0.34 1.47 -0.51 -0.55 0.00 0.00 175.29 175.37 1xqq s LEU 50 N 2.11 4.38 0.55 3.68 1.43 -1.05 -4.97 118.68 124.80 1xqq s LEU 50 Ca 0.47 2.54 -0.10 0.00 -1.03 0.00 0.00 54.13 56.01 1xqq s LEU 50 Cb -0.18 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 1xqq s LEU 50 CO 0.17 -0.73 0.93 -1.61 0.23 0.00 0.00 176.35 175.34 1xqq s GLU 51 N 0.66 3.64 0.10 1.70 2.02 -1.26 -4.83 118.70 120.72 1xqq s GLU 51 Ca 0.65 0.59 -0.17 0.00 0.02 0.00 0.00 54.97 56.05 1xqq s GLU 51 Cb -0.41 -2.20 -0.07 0.00 0.10 0.00 0.00 34.13 31.55 1xqq s GLU 51 CO 0.34 -0.38 1.53 -0.44 0.02 0.00 0.00 175.26 176.34 1xqq h ASP 52 N 0.13 0.50 -0.14 -0.19 3.32 -1.95 -2.97 116.42 115.12 1xqq h ASP 52 Ca -0.45 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.29 1xqq h ASP 52 Cb 1.19 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1xqq h ASP 52 CO 0.62 0.69 0.00 0.61 -1.72 0.00 0.00 179.24 179.44 1xqq n GLY 53 N -0.33 0.07 3.93 2.75 0.00 -1.26 -1.78 105.19 108.57 1xqq n GLY 53 Ca -0.03 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.82 3.50 0.70 1.61 1.81 -1.12 -4.88 118.95 118.75 1xqq s ARG 54 Ca 0.31 -0.20 -0.06 0.00 -1.72 0.00 0.00 55.73 54.06 1xqq s ARG 54 Cb 0.16 -2.59 0.07 0.00 -0.45 0.00 0.00 34.95 32.15 1xqq s ARG 54 CO 0.25 0.06 1.00 0.95 -0.68 0.00 0.00 175.30 176.88 1xqq s THR 55 N -2.43 2.29 0.21 0.02 -4.23 -1.26 -2.26 115.64 107.98 1xqq s THR 55 Ca 0.42 -0.33 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 1xqq s THR 55 Cb -0.10 -2.96 -0.07 0.00 1.34 0.00 0.00 72.50 70.71 1xqq s THR 55 CO 0.38 0.00 1.50 -0.07 -0.54 0.00 0.00 174.62 175.89 1xqq h LEU 56 N -0.58 0.36 0.00 4.79 3.38 -1.61 -3.17 115.31 118.48 1xqq h LEU 56 Ca -0.43 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1xqq h LEU 56 Cb 1.30 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1xqq h LEU 56 CO 0.56 0.92 0.00 -1.54 0.09 0.00 0.00 178.44 178.47 1xqq n SER 57 N -3.85 0.00 0.05 -0.43 3.41 -0.77 -2.15 113.62 109.88 1xqq n SER 57 Ca -0.03 0.33 -0.22 0.00 -0.26 0.00 0.00 58.87 58.69 1xqq n SER 57 Cb 0.66 -0.39 -0.14 0.00 -0.26 0.00 0.00 64.21 64.07 1xqq n SER 57 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1xqq h ASP 58 N 0.00 0.51 1.21 4.04 3.58 -1.85 -3.23 116.42 120.68 1xqq h ASP 58 Ca 0.00 -0.90 0.00 0.00 0.42 0.00 0.00 57.03 56.55 1xqq h ASP 58 Cb 0.11 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1xqq h ASP 58 CO 0.00 1.63 0.00 -1.22 -2.88 0.00 0.00 179.24 176.77 1xqq n TYR 59 N -3.86 0.68 -3.05 0.28 4.01 -1.19 -4.93 117.16 109.11 1xqq n TYR 59 Ca -0.22 0.21 -0.13 0.00 -0.16 0.00 0.00 57.90 57.60 1xqq n TYR 59 Cb 0.95 -0.84 0.07 0.00 -0.31 0.00 0.00 39.34 39.20 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 -2.07 -2.48 -4.77 7.72 3.02 -1.15 -5.01 115.26 110.53 1xqq n ASN 60 Ca 0.05 -0.48 -0.39 0.00 -0.03 0.00 0.00 54.58 53.73 1xqq n ASN 60 Cb 0.37 -4.01 -0.06 0.00 -0.61 0.00 0.00 39.78 35.47 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 -3.28 4.55 0.40 2.41 1.01 -0.92 -5.03 121.20 120.35 1xqq s ILE 61 Ca 0.04 1.62 0.08 0.00 0.00 0.00 0.00 60.65 62.39 1xqq s ILE 61 Cb -0.01 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1xqq s ILE 61 CO 0.55 0.47 0.25 -1.10 0.00 0.00 0.00 174.94 175.11 1xqq s GLN 62 N -0.73 2.39 0.71 2.79 -0.21 -1.26 -4.69 119.66 118.65 1xqq s GLN 62 Ca 0.36 -1.65 -0.14 0.00 0.02 0.00 0.00 55.36 53.94 1xqq s GLN 62 Cb -0.22 -2.18 0.03 0.00 1.00 0.00 0.00 33.01 31.64 1xqq s GLN 62 CO 0.24 -0.09 1.14 -1.59 -2.12 0.00 0.00 175.29 172.87 1xqq s LYS 63 N -3.98 2.43 -1.31 2.91 -2.85 -1.26 -2.90 119.74 112.78 1xqq s LYS 63 Ca 0.43 1.50 0.00 0.00 -1.00 0.00 0.00 55.97 56.90 1xqq s LYS 63 Cb -0.00 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.87 1xqq s LYS 63 CO 0.25 -1.56 0.00 0.39 0.10 0.00 0.00 175.35 174.53 1xqq n GLU 64 N -2.71 -1.77 -3.36 1.78 1.02 0.91 -5.00 120.64 111.51 1xqq n GLU 64 Ca 0.11 0.74 -0.31 0.00 -0.02 0.00 0.00 57.16 57.68 1xqq n GLU 64 Cb 0.51 -5.20 -0.04 0.00 -0.02 0.00 0.00 31.44 26.69 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 -2.09 6.54 -0.23 1.62 0.15 -1.14 -4.82 113.70 113.72 1xqq s SER 65 Ca 0.00 0.84 -0.06 0.00 0.70 0.00 0.00 55.95 57.43 1xqq s SER 65 Cb 0.00 -2.19 -0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1xqq s SER 65 CO 0.00 -0.13 0.03 -0.89 1.20 0.00 0.00 173.24 173.45 1xqq s THR 66 N -1.94 4.02 0.36 6.45 2.01 -1.25 -0.69 115.64 124.60 1xqq s THR 66 Ca 0.46 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.22 1xqq s THR 66 Cb -0.11 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.53 1xqq s THR 66 CO 0.25 0.38 0.52 -0.76 -0.69 0.00 0.00 174.62 174.33 1xqq s LEU 67 N 1.41 3.93 -0.11 4.42 1.43 0.20 -4.89 118.68 125.06 1xqq s LEU 67 Ca 0.05 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1xqq s LEU 67 Cb -0.15 -2.95 -0.00 0.00 0.03 0.00 0.00 46.19 43.12 1xqq s LEU 67 CO 0.02 -0.45 -0.23 -2.28 0.23 0.00 0.00 176.35 173.64 1xqq s HIS 68 N -2.27 2.60 -0.25 0.29 5.65 -0.58 0.22 115.29 120.95 1xqq s HIS 68 Ca 0.44 -1.04 -0.08 0.00 0.25 0.00 0.00 55.06 54.63 1xqq s HIS 68 Cb -0.10 -1.74 -0.03 0.00 -1.18 0.00 0.00 32.58 29.54 1xqq s HIS 68 CO 0.33 -0.42 0.08 -1.17 -0.65 0.00 0.00 174.74 172.91 1xqq s LEU 69 N 0.40 3.50 0.00 8.88 2.96 0.11 0.83 118.68 135.36 1xqq s LEU 69 Ca -0.17 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1xqq s LEU 69 Cb -0.17 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.57 1xqq s LEU 69 CO 0.07 -0.04 0.00 1.33 -1.32 0.00 0.00 176.35 176.40 1xqq n VAL 70 N 4.94 0.00 -3.41 1.68 0.24 0.59 -1.82 118.33 120.55 1xqq n VAL 70 Ca -0.16 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.77 1xqq n VAL 70 Cb 0.51 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.83 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xqq s LEU 71 N 0.00 4.43 -0.11 1.34 2.96 -1.26 -1.25 118.68 124.79 1xqq s LEU 71 Ca 0.00 1.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.96 1xqq s LEU 71 Cb 0.00 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.73 1xqq s LEU 71 CO 0.00 0.22 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.58 1xqq s ARG 72 N -1.47 3.14 0.11 1.98 3.52 -0.77 -4.64 118.95 120.82 1xqq s ARG 72 Ca 0.31 -0.57 -0.15 0.00 -0.13 0.00 0.00 55.73 55.19 1xqq s ARG 72 Cb -0.17 -2.69 -0.07 0.00 -1.56 0.00 0.00 34.95 30.46 1xqq s ARG 72 CO 0.17 0.45 0.53 -0.51 -0.81 0.00 0.00 175.30 175.14 1xqq s LEU 73 N -0.24 4.40 -0.07 -0.88 1.43 -1.26 -4.79 118.68 117.27 1xqq s LEU 73 Ca 0.03 1.09 -0.30 0.00 -1.03 0.00 0.00 54.13 53.93 1xqq s LEU 73 Cb -0.13 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 1xqq s LEU 73 CO 0.03 0.17 1.10 -0.13 0.23 0.00 0.00 176.35 177.75 1xqq s ARG 74 N -1.65 4.40 0.00 1.70 0.52 -1.26 -4.41 118.95 118.25 1xqq s ARG 74 Ca 0.34 1.54 0.00 0.00 -0.52 0.00 0.00 55.73 57.08 1xqq s ARG 74 Cb -0.16 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 31.78 1xqq s ARG 74 CO 0.18 -0.35 0.00 0.41 0.02 0.00 0.00 175.30 175.56 1xqq n GLY 75 N 3.20 0.43 0.00 -3.53 0.00 -1.26 -5.27 105.19 98.77 1xqq n GLY 75 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93