#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 4.05 0.20 3.17 -0.21 -1.26 -0.75 119.66 124.85 1xqq s GLN 2 Ca 0.00 0.60 0.03 0.00 0.02 0.00 0.00 55.36 56.01 1xqq s GLN 2 Cb 0.00 -2.86 -0.05 0.00 1.00 0.00 0.00 33.01 31.10 1xqq s GLN 2 CO 0.00 0.42 -0.00 0.96 -2.12 0.00 0.00 175.29 174.55 1xqq s ILE 3 N -1.54 0.85 0.02 1.08 -4.36 -0.75 -0.58 121.20 115.91 1xqq s ILE 3 Ca 0.41 -2.01 0.08 0.00 -0.26 0.00 0.00 60.65 58.87 1xqq s ILE 3 Cb -0.15 -2.20 -0.02 0.00 1.25 0.00 0.00 42.46 41.34 1xqq s ILE 3 CO 0.20 -0.42 -0.24 -0.36 0.24 0.00 0.00 174.94 174.35 1xqq s PHE 4 N -3.54 2.16 -0.22 1.37 0.08 -1.04 -0.56 117.98 116.22 1xqq s PHE 4 Ca 0.26 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.91 1xqq s PHE 4 Cb 0.06 -1.34 0.03 0.00 -0.57 0.00 0.00 43.02 41.20 1xqq s PHE 4 CO 0.06 0.05 -0.13 0.08 -0.10 0.00 0.00 175.22 175.18 1xqq s VAL 5 N -0.70 2.37 -0.12 -0.44 1.01 0.58 -0.97 120.40 122.13 1xqq s VAL 5 Ca 0.10 -1.13 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 1xqq s VAL 5 Cb -0.09 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1xqq s VAL 5 CO 0.01 0.29 0.10 -0.75 0.00 0.00 0.00 175.10 174.75 1xqq s LYS 6 N 1.26 3.43 0.45 2.72 2.20 0.55 -0.83 119.74 129.52 1xqq s LYS 6 Ca 0.00 -0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.46 1xqq s LYS 6 Cb -0.16 -3.12 0.02 0.00 -1.51 0.00 0.00 37.83 33.06 1xqq s LYS 6 CO -0.08 0.69 0.62 0.95 -0.36 0.00 0.00 175.35 177.16 1xqq s THR 7 N -0.79 2.91 0.11 3.43 -4.23 -1.03 0.26 115.64 116.29 1xqq s THR 7 Ca 0.13 -0.94 -0.32 0.00 -1.18 0.00 0.00 61.69 59.38 1xqq s THR 7 Cb -0.12 -2.97 -0.13 0.00 1.34 0.00 0.00 72.50 70.63 1xqq s THR 7 CO 0.03 0.00 1.52 0.25 -0.54 0.00 0.00 174.62 175.88 1xqq h LEU 8 N 0.52 -1.58 -0.44 4.79 5.85 -1.93 -3.13 115.31 119.39 1xqq h LEU 8 Ca -0.40 0.18 -0.17 0.00 0.84 0.00 0.00 57.88 58.32 1xqq h LEU 8 Cb 1.28 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 1xqq h LEU 8 CO 0.46 -0.49 -0.76 0.71 -0.34 0.00 0.00 178.44 178.03 1xqq h THR 9 N -0.62 1.45 0.00 1.05 1.35 -1.96 -3.47 112.91 110.71 1xqq h THR 9 Ca 0.02 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 1xqq h THR 9 Cb 0.67 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1xqq h THR 9 CO -0.36 0.68 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 1xqq n GLY 10 N 0.61 0.54 3.67 5.82 0.00 -1.18 -5.15 105.19 109.50 1xqq n GLY 10 Ca -0.03 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 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 2.81 -0.64 1.61 2.20 -1.26 -4.92 119.74 119.55 1xqq s LYS 11 Ca 0.00 -0.57 -0.19 0.00 -0.36 0.00 0.00 55.97 54.85 1xqq s LYS 11 Cb 0.00 -2.68 0.11 0.00 -1.51 0.00 0.00 37.83 33.75 1xqq s LYS 11 CO 0.00 0.64 0.77 0.99 -0.36 0.00 0.00 175.35 177.39 1xqq s THR 12 N -1.03 4.81 -0.89 3.43 2.01 -1.26 -2.47 115.64 120.25 1xqq s THR 12 Ca 0.18 -1.08 -0.21 0.00 0.31 0.00 0.00 61.69 60.89 1xqq s THR 12 Cb -0.11 -4.53 0.09 0.00 0.01 0.00 0.00 72.50 67.95 1xqq s THR 12 CO 0.08 -1.19 1.19 -0.63 -0.69 0.00 0.00 174.62 173.39 1xqq s ILE 13 N 2.66 4.37 0.15 1.82 1.01 -0.01 -4.91 121.20 126.29 1xqq s ILE 13 Ca 0.15 -0.99 -0.31 0.00 0.00 0.00 0.00 60.65 59.49 1xqq s ILE 13 Cb -0.21 -4.85 -0.11 0.00 0.01 0.00 0.00 42.46 37.31 1xqq s ILE 13 CO 0.04 -1.64 1.73 -0.89 0.00 0.00 0.00 174.94 174.19 1xqq s THR 14 N 3.77 2.45 0.10 2.92 2.01 -1.26 -0.31 115.64 125.32 1xqq s THR 14 Ca 0.34 0.16 0.06 0.00 0.31 0.00 0.00 61.69 62.56 1xqq s THR 14 Cb -0.06 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1xqq s THR 14 CO -0.04 0.01 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.10 1xqq s LEU 15 N 1.98 3.31 -0.21 4.42 1.43 0.27 -4.94 118.68 124.94 1xqq s LEU 15 Ca 0.76 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 53.53 1xqq s LEU 15 Cb -0.46 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1xqq s LEU 15 CO 0.34 0.17 0.07 -0.70 0.23 0.00 0.00 176.35 176.45 1xqq s GLU 16 N -2.32 3.82 0.04 1.70 2.12 -1.26 -1.82 118.70 120.98 1xqq s GLU 16 Ca 0.24 -0.41 -0.00 0.00 0.36 0.00 0.00 54.97 55.16 1xqq s GLU 16 Cb -0.11 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 1xqq s GLU 16 CO 0.17 0.05 -0.03 0.14 -0.54 0.00 0.00 175.26 175.04 1xqq s VAL 17 N 0.98 0.23 0.07 3.70 -7.23 0.07 -4.97 120.40 113.24 1xqq s VAL 17 Ca 0.04 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 1xqq s VAL 17 Cb -0.14 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 1xqq s VAL 17 CO 0.03 -0.80 0.08 -1.61 -0.31 0.00 0.00 175.10 172.49 1xqq s GLU 18 N -2.98 2.90 0.59 4.82 0.41 -1.26 -0.37 118.70 122.80 1xqq s GLU 18 Ca -0.01 -0.66 0.29 0.00 -0.41 0.00 0.00 54.97 54.17 1xqq s GLU 18 Cb 0.01 -2.74 1.74 0.00 -1.78 0.00 0.00 34.13 31.36 1xqq s GLU 18 CO -0.06 0.58 2.19 -1.35 -0.49 0.00 0.00 175.26 176.13 1xqq h PRO 19 N 3.42 0.00 -0.00 0.39 0.11 -1.94 -2.43 132.00 131.55 1xqq h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xqq h PRO 19 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xqq h PRO 19 CO 0.65 0.00 -0.05 -1.13 -0.21 0.00 0.00 178.00 177.27 1xqq n SER 20 N -3.85 0.15 -4.78 -2.05 3.41 -1.26 -1.06 113.62 104.18 1xqq n SER 20 Ca -0.01 -0.24 -0.37 0.00 -0.26 0.00 0.00 58.87 57.99 1xqq n SER 20 Cb 0.18 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 63.87 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xqq s ASP 21 N -2.58 6.71 0.35 4.04 1.01 -0.92 -4.85 116.67 120.44 1xqq s ASP 21 Ca 0.27 2.07 -0.08 0.00 0.71 0.00 0.00 52.55 55.52 1xqq s ASP 21 Cb 0.20 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 1xqq s ASP 21 CO 0.48 -0.53 0.68 0.42 0.21 0.00 0.00 175.17 176.43 1xqq s THR 22 N -1.64 4.88 0.46 -1.27 -4.23 -1.26 -2.01 115.64 110.56 1xqq s THR 22 Ca 0.58 0.41 0.20 0.00 -1.18 0.00 0.00 61.69 61.70 1xqq s THR 22 Cb -0.23 -3.72 0.24 0.00 1.34 0.00 0.00 72.50 70.13 1xqq s THR 22 CO 0.28 -0.42 2.06 0.40 -0.54 0.00 0.00 174.62 176.41 1xqq h ILE 23 N 1.25 0.87 0.02 2.99 1.08 -0.55 -1.91 117.51 121.27 1xqq h ILE 23 Ca -0.47 -0.48 0.03 0.00 -0.39 0.00 0.00 64.86 63.55 1xqq h ILE 23 Cb 1.19 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 36.17 1xqq h ILE 23 CO 0.65 0.13 -0.27 -0.08 -0.69 0.00 0.00 178.15 177.88 1xqq h GLU 24 N 0.00 -0.41 -0.73 2.37 4.81 -1.11 -1.13 114.58 118.38 1xqq h GLU 24 Ca -0.00 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1xqq h GLU 24 Cb 0.26 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1xqq h GLU 24 CO 0.02 -0.27 0.33 -0.97 -0.73 0.00 0.00 179.01 177.39 1xqq h ASN 25 N -0.43 0.97 -0.35 1.04 -0.00 -1.67 -2.88 115.58 112.26 1xqq h ASN 25 Ca 0.06 -0.15 -0.01 0.00 -0.00 0.00 0.00 56.30 56.21 1xqq h ASN 25 Cb 0.50 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.55 1xqq h ASN 25 CO -0.22 0.85 0.20 0.58 -0.00 0.00 0.00 177.43 178.83 1xqq h VAL 26 N 1.03 1.14 0.00 2.57 2.07 -1.17 -2.78 116.25 119.11 1xqq h VAL 26 Ca 0.25 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1xqq h VAL 26 Cb 0.15 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1xqq h VAL 26 CO -0.03 0.14 -0.03 0.11 0.02 0.00 0.00 177.57 177.78 1xqq h LYS 27 N 0.45 0.00 0.00 1.57 1.57 -1.14 -2.40 116.57 116.62 1xqq h LYS 27 Ca 0.13 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1xqq h LYS 27 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1xqq h LYS 27 CO -0.02 0.03 -0.33 0.00 -0.57 0.00 0.00 179.45 178.56 1xqq h ALA 28 N 1.97 1.24 0.00 3.86 0.00 -1.27 -1.73 119.26 123.34 1xqq h ALA 28 Ca -0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 1xqq h ALA 28 Cb 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1xqq h ALA 28 CO 0.00 0.41 -1.18 0.87 0.00 0.00 0.00 179.25 179.36 1xqq h LYS 29 N 0.00 0.00 0.00 0.00 1.57 -1.42 -0.67 116.57 116.06 1xqq h LYS 29 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1xqq h LYS 29 Cb 0.67 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1xqq h LYS 29 CO 0.04 0.74 -0.10 0.82 -0.57 0.00 0.00 179.45 180.38 1xqq h ILE 30 N 0.00 1.06 0.03 1.86 2.04 -1.50 -1.43 117.51 119.57 1xqq h ILE 30 Ca -0.10 -0.33 -0.14 0.00 1.00 0.00 0.00 64.86 65.29 1xqq h ILE 30 Cb 1.78 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 39.05 1xqq h ILE 30 CO 0.10 0.09 -0.55 -0.61 0.00 0.00 0.00 178.15 177.18 1xqq h GLN 31 N 0.00 0.32 -0.89 2.37 4.15 -1.11 0.14 115.11 120.10 1xqq h GLN 31 Ca -0.00 -0.39 0.13 0.00 0.77 0.00 0.00 58.65 59.17 1xqq h GLN 31 Cb 0.17 0.12 -0.14 0.00 0.21 0.00 0.00 27.48 27.84 1xqq h GLN 31 CO 0.01 1.09 -0.41 0.22 -1.93 0.00 0.00 178.83 177.82 1xqq h ASP 32 N -0.27 -1.47 0.03 -0.69 3.58 -1.13 -2.18 116.42 114.29 1xqq h ASP 32 Ca -0.08 0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 1xqq h ASP 32 Cb 1.30 0.74 0.00 0.00 1.72 0.00 0.00 39.33 43.10 1xqq h ASP 32 CO 0.11 -0.29 -0.01 0.50 -2.88 0.00 0.00 179.24 176.66 1xqq h LYS 33 N -0.05 -0.04 0.10 0.28 3.64 -1.19 -3.41 116.57 115.89 1xqq h LYS 33 Ca 0.29 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.34 1xqq h LYS 33 Cb 0.57 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1xqq h LYS 33 CO -0.90 -0.02 -1.81 0.93 -2.27 0.00 0.00 179.45 175.38 1xqq h GLU 34 N -0.82 0.20 -3.65 1.90 4.39 -0.86 -3.50 114.58 112.24 1xqq h GLU 34 Ca -0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1xqq h GLU 34 Cb 0.03 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1xqq h GLU 34 CO 0.01 1.01 -0.16 0.41 -1.16 0.00 0.00 179.01 179.12 1xqq n GLY 35 N 1.80 -1.15 2.88 -3.84 0.00 -0.82 -5.02 105.19 99.05 1xqq n GLY 35 Ca -0.24 0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.35 0.44 0.53 -0.61 1.01 -1.26 -5.03 121.20 114.93 1xqq s ILE 36 Ca 0.06 -0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.43 1xqq s ILE 36 Cb -0.02 -0.47 -0.06 0.00 0.01 0.00 0.00 42.46 41.92 1xqq s ILE 36 CO 0.22 0.19 1.14 -2.84 0.00 0.00 0.00 174.94 173.66 1xqq s PRO 37 N 0.80 3.38 0.00 2.79 0.02 -1.26 -4.44 135.00 136.29 1xqq s PRO 37 Ca -0.10 1.66 0.22 0.00 0.02 0.00 0.00 61.00 62.80 1xqq s PRO 37 Cb -0.13 -2.06 0.60 0.00 0.02 0.00 0.00 34.50 32.93 1xqq s PRO 37 CO -0.00 -0.84 1.48 -0.35 -0.33 0.00 0.00 177.00 176.96 1xqq n PRO 38 N -1.20 2.05 0.09 5.54 -0.04 -1.26 -2.58 135.00 137.60 1xqq n PRO 38 Ca 0.11 -1.57 -0.22 0.00 -0.04 0.00 0.00 63.50 61.78 1xqq n PRO 38 Cb 0.50 -1.44 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xqq h ASP 39 N 3.16 0.64 -0.32 3.54 2.03 -1.97 -3.26 116.42 120.24 1xqq h ASP 39 Ca 0.00 -0.84 -0.11 0.00 -0.73 0.00 0.00 57.03 55.35 1xqq h ASP 39 Cb 0.69 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.97 1xqq h ASP 39 CO 0.00 1.69 -0.21 1.56 -1.03 0.00 0.00 179.24 181.25 1xqq h GLN 40 N 0.11 0.80 -6.27 4.15 4.20 -1.77 -3.44 115.11 112.88 1xqq h GLN 40 Ca -0.29 -0.32 -0.55 0.00 0.06 0.00 0.00 58.65 57.56 1xqq h GLN 40 Cb 2.10 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 29.81 1xqq h GLN 40 CO 0.21 0.94 0.20 -0.65 -0.67 0.00 0.00 178.83 178.85 1xqq s GLN 41 N -4.63 4.51 -0.05 1.46 -0.21 -1.07 -0.39 119.66 119.28 1xqq s GLN 41 Ca -0.09 1.12 0.03 0.00 0.02 0.00 0.00 55.36 56.44 1xqq s GLN 41 Cb 0.13 -3.40 0.00 0.00 1.00 0.00 0.00 33.01 30.74 1xqq s GLN 41 CO 0.84 0.16 -0.15 0.50 -2.12 0.00 0.00 175.29 174.52 1xqq s ARG 42 N 0.36 1.70 -0.11 2.91 3.52 -0.94 -4.84 118.95 121.56 1xqq s ARG 42 Ca 0.41 -0.53 -0.04 0.00 -0.13 0.00 0.00 55.73 55.45 1xqq s ARG 42 Cb -0.20 -1.45 -0.04 0.00 -1.56 0.00 0.00 34.95 31.70 1xqq s ARG 42 CO 0.23 0.17 0.06 -0.51 -0.81 0.00 0.00 175.30 174.44 1xqq s LEU 43 N 0.23 3.92 -0.04 -0.88 1.43 -1.26 -1.45 118.68 120.64 1xqq s LEU 43 Ca -0.07 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1xqq s LEU 43 Cb -0.12 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1xqq s LEU 43 CO 0.03 0.38 -0.21 -0.63 0.23 0.00 0.00 176.35 176.14 1xqq s ILE 44 N -0.87 1.74 -0.10 -0.59 -1.09 0.32 -0.61 121.20 119.99 1xqq s ILE 44 Ca 0.13 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.66 1xqq s ILE 44 Cb -0.12 -1.46 0.02 0.00 -1.58 0.00 0.00 42.46 39.32 1xqq s ILE 44 CO 0.03 0.49 -0.13 0.12 -1.23 0.00 0.00 174.94 174.22 1xqq s PHE 45 N -0.25 1.75 0.00 3.97 5.36 -1.18 -0.38 117.98 127.25 1xqq s PHE 45 Ca 0.01 -0.81 0.00 0.00 -0.96 0.00 0.00 56.93 55.17 1xqq s PHE 45 Cb -0.11 -1.31 0.00 0.00 -0.34 0.00 0.00 43.02 41.26 1xqq s PHE 45 CO 0.01 -0.45 0.00 0.00 -1.46 0.00 0.00 175.22 173.32 1xqq n ALA 46 N 4.32 0.00 0.19 11.12 0.00 -1.26 -2.57 120.51 132.30 1xqq n ALA 46 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1xqq n ALA 46 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.26 3.05 0.00 0.00 -1.26 -4.98 105.19 100.74 1xqq n GLY 47 Ca 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.37 1.51 0.06 1.61 2.20 -1.06 -5.10 119.74 115.60 1xqq s LYS 48 Ca -0.02 -0.44 -0.27 0.00 -0.36 0.00 0.00 55.97 54.89 1xqq s LYS 48 Cb 0.12 -1.30 -0.05 0.00 -1.51 0.00 0.00 37.83 35.08 1xqq s LYS 48 CO 0.83 0.11 0.84 -0.65 -0.36 0.00 0.00 175.35 176.12 1xqq s GLN 49 N 0.37 4.56 -0.09 4.03 -0.21 -1.26 -3.12 119.66 123.94 1xqq s GLN 49 Ca -0.08 1.20 -0.17 0.00 0.02 0.00 0.00 55.36 56.33 1xqq s GLN 49 Cb -0.13 -3.37 -0.05 0.00 1.00 0.00 0.00 33.01 30.46 1xqq s GLN 49 CO 0.02 0.24 0.45 -0.51 -2.12 0.00 0.00 175.29 173.38 1xqq s LEU 50 N 0.02 4.32 0.33 2.90 1.43 0.22 -5.01 118.68 122.88 1xqq s LEU 50 Ca 0.42 0.83 0.07 0.00 -1.03 0.00 0.00 54.13 54.42 1xqq s LEU 50 Cb -0.21 -2.65 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 1xqq s LEU 50 CO 0.25 0.08 0.42 -1.61 0.23 0.00 0.00 176.35 175.72 1xqq s GLU 51 N 0.23 3.06 0.05 1.70 0.41 -1.26 -4.55 118.70 118.35 1xqq s GLU 51 Ca 0.25 -1.05 -0.32 0.00 -0.41 0.00 0.00 54.97 53.44 1xqq s GLU 51 Cb -0.15 -2.75 -0.18 0.00 -1.78 0.00 0.00 34.13 29.26 1xqq s GLU 51 CO 0.11 0.10 1.49 -0.44 -0.49 0.00 0.00 175.26 176.03 1xqq h ASP 52 N 0.99 -0.76 -0.23 -0.19 5.19 -1.97 -3.01 116.42 116.44 1xqq h ASP 52 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1xqq h ASP 52 Cb 1.25 0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.96 1xqq h ASP 52 CO 0.55 -0.49 0.00 0.61 -3.12 0.00 0.00 179.24 176.79 1xqq n GLY 53 N -1.23 1.90 3.81 2.75 0.00 -1.26 -0.55 105.19 110.60 1xqq n GLY 53 Ca -0.13 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.69 2.99 0.28 1.61 0.52 -1.14 -4.87 118.95 116.65 1xqq s ARG 54 Ca 0.21 -0.67 -0.06 0.00 -0.52 0.00 0.00 55.73 54.69 1xqq s ARG 54 Cb 0.16 -2.77 -0.06 0.00 0.52 0.00 0.00 34.95 32.80 1xqq s ARG 54 CO 0.07 0.56 0.56 0.95 0.02 0.00 0.00 175.30 177.46 1xqq s THR 55 N -1.46 4.99 0.39 0.02 -4.23 -1.26 -2.25 115.64 111.84 1xqq s THR 55 Ca 0.30 0.20 0.13 0.00 -1.18 0.00 0.00 61.69 61.14 1xqq s THR 55 Cb -0.12 -3.70 0.35 0.00 1.34 0.00 0.00 72.50 70.36 1xqq s THR 55 CO 0.23 -0.27 1.88 -0.07 -0.54 0.00 0.00 174.62 175.86 1xqq h LEU 56 N 1.88 0.51 -0.45 4.79 3.38 -1.44 -0.16 115.31 123.82 1xqq h LEU 56 Ca -0.47 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.37 1xqq h LEU 56 Cb 1.18 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1xqq h LEU 56 CO 0.67 0.25 -0.50 0.77 0.09 0.00 0.00 178.44 179.72 1xqq h SER 57 N 0.53 0.80 0.98 -0.43 4.64 -1.38 0.52 113.55 119.21 1xqq h SER 57 Ca 0.43 -0.40 -0.19 0.00 -0.47 0.00 0.00 61.79 61.15 1xqq h SER 57 Cb 0.86 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 1xqq h SER 57 CO -0.17 1.16 -0.92 -0.78 -0.87 0.00 0.00 176.83 175.25 1xqq h ASP 58 N 0.57 0.00 0.22 4.97 1.82 -1.79 -2.53 116.42 119.68 1xqq h ASP 58 Ca 0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1xqq h ASP 58 Cb 1.06 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.07 1xqq h ASP 58 CO 0.10 0.92 0.00 -1.22 -1.61 0.00 0.00 179.24 177.43 1xqq n TYR 59 N -3.40 0.00 -2.92 0.28 4.01 -0.09 -4.91 117.16 110.13 1xqq n TYR 59 Ca -0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 1xqq n TYR 59 Cb 0.88 -0.12 0.03 0.00 -0.31 0.00 0.00 39.34 39.82 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 -1.12 -5.85 -4.64 7.72 3.02 -0.33 -4.98 115.26 109.08 1xqq n ASN 60 Ca 0.18 -0.25 -0.43 0.00 -0.03 0.00 0.00 54.58 54.05 1xqq n ASN 60 Cb 0.15 -4.69 -0.03 0.00 -0.61 0.00 0.00 39.78 34.61 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 -3.13 3.75 0.54 2.41 -1.09 0.03 -5.01 121.20 118.69 1xqq s ILE 61 Ca 0.26 0.86 0.07 0.00 -2.23 0.00 0.00 60.65 59.61 1xqq s ILE 61 Cb -0.11 -3.71 0.06 0.00 -1.58 0.00 0.00 42.46 37.12 1xqq s ILE 61 CO 0.32 -0.24 0.74 -1.10 -1.23 0.00 0.00 174.94 173.43 1xqq s GLN 62 N 4.44 2.43 0.52 2.79 -0.21 -1.26 -4.78 119.66 123.59 1xqq s GLN 62 Ca 0.70 -1.35 -0.22 0.00 0.02 0.00 0.00 55.36 54.51 1xqq s GLN 62 Cb -0.26 -2.63 -0.06 0.00 1.00 0.00 0.00 33.01 31.07 1xqq s GLN 62 CO 0.28 -0.72 1.24 -1.59 -2.12 0.00 0.00 175.29 172.38 1xqq s LYS 63 N -4.63 3.36 -1.52 2.91 -2.85 -1.26 -3.40 119.74 112.35 1xqq s LYS 63 Ca 0.60 1.95 0.00 0.00 -1.00 0.00 0.00 55.97 57.51 1xqq s LYS 63 Cb -0.08 -2.24 0.00 0.00 -2.06 0.00 0.00 37.83 33.45 1xqq s LYS 63 CO 0.38 -0.93 0.00 0.39 0.10 0.00 0.00 175.35 175.29 1xqq n GLU 64 N -0.93 -1.72 -3.55 1.78 1.02 0.25 -4.97 120.64 112.52 1xqq n GLU 64 Ca 0.10 0.85 -0.30 0.00 -0.02 0.00 0.00 57.16 57.79 1xqq n GLU 64 Cb 0.47 -5.34 -0.04 0.00 -0.02 0.00 0.00 31.44 26.51 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 -2.18 6.50 -0.17 1.62 0.01 -1.22 -4.89 113.70 113.37 1xqq s SER 65 Ca 0.00 0.66 -0.01 0.00 1.31 0.00 0.00 55.95 57.91 1xqq s SER 65 Cb 0.00 -2.12 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 1xqq s SER 65 CO 0.00 -0.04 -0.11 -0.89 0.41 0.00 0.00 173.24 172.61 1xqq s THR 66 N -1.81 3.04 0.23 1.44 2.01 -1.26 -2.50 115.64 116.79 1xqq s THR 66 Ca 0.43 -0.64 -0.07 0.00 0.31 0.00 0.00 61.69 61.71 1xqq s THR 66 Cb -0.11 -2.31 -0.06 0.00 0.01 0.00 0.00 72.50 70.02 1xqq s THR 66 CO 0.25 0.49 0.52 -0.76 -0.69 0.00 0.00 174.62 174.43 1xqq s LEU 67 N 0.84 4.16 -0.04 4.42 1.02 -0.14 -4.83 118.68 124.11 1xqq s LEU 67 Ca -0.03 0.80 -0.18 0.00 0.02 0.00 0.00 54.13 54.74 1xqq s LEU 67 Cb -0.15 -3.57 -0.05 0.00 0.02 0.00 0.00 46.19 42.44 1xqq s LEU 67 CO 0.00 -0.08 0.49 -1.00 0.02 0.00 0.00 176.35 175.78 1xqq s HIS 68 N -1.86 3.65 -0.13 0.29 3.76 0.49 -0.33 115.29 121.16 1xqq s HIS 68 Ca 0.45 1.02 -0.25 0.00 -0.15 0.00 0.00 55.06 56.13 1xqq s HIS 68 Cb -0.11 -2.47 -0.02 0.00 1.11 0.00 0.00 32.58 31.09 1xqq s HIS 68 CO 0.24 0.40 0.80 -1.17 -0.85 0.00 0.00 174.74 174.16 1xqq s LEU 69 N -0.28 4.23 0.35 0.89 2.96 0.14 -0.52 118.68 126.45 1xqq s LEU 69 Ca 0.26 1.20 0.08 0.00 -0.22 0.00 0.00 54.13 55.46 1xqq s LEU 69 Cb -0.17 -3.20 -0.05 0.00 0.50 0.00 0.00 46.19 43.27 1xqq s LEU 69 CO 0.13 -0.30 0.08 0.68 -1.32 0.00 0.00 176.35 175.62 1xqq s VAL 70 N 1.66 2.73 0.34 1.68 -7.23 -0.53 -4.10 120.40 114.96 1xqq s VAL 70 Ca 0.39 -1.84 -0.17 0.00 -1.81 0.00 0.00 61.98 58.55 1xqq s VAL 70 Cb -0.17 -2.89 -0.09 0.00 0.56 0.00 0.00 36.38 33.78 1xqq s VAL 70 CO 0.15 -0.17 0.79 -0.22 -0.31 0.00 0.00 175.10 175.35 1xqq s LEU 71 N -3.79 4.07 -0.16 1.32 2.96 -1.26 -2.23 118.68 119.60 1xqq s LEU 71 Ca 0.37 1.42 -0.01 0.00 -0.22 0.00 0.00 54.13 55.68 1xqq s LEU 71 Cb -0.00 -4.14 -0.01 0.00 0.50 0.00 0.00 46.19 42.54 1xqq s LEU 71 CO 0.21 -0.21 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.32 1xqq s ARG 72 N -2.89 3.34 0.38 1.98 3.52 0.48 -4.84 118.95 120.92 1xqq s ARG 72 Ca 0.55 -0.68 -0.11 0.00 -0.13 0.00 0.00 55.73 55.36 1xqq s ARG 72 Cb -0.11 -2.74 -0.07 0.00 -1.56 0.00 0.00 34.95 30.48 1xqq s ARG 72 CO 0.17 0.05 0.74 -0.51 -0.81 0.00 0.00 175.30 174.94 1xqq s LEU 73 N 0.78 3.90 -0.66 -0.88 1.43 -1.26 -4.62 118.68 117.37 1xqq s LEU 73 Ca -0.04 1.13 -0.23 0.00 -1.03 0.00 0.00 54.13 53.95 1xqq s LEU 73 Cb -0.15 -3.98 0.06 0.00 0.03 0.00 0.00 46.19 42.15 1xqq s LEU 73 CO 0.01 -0.34 1.00 -0.60 0.23 0.00 0.00 176.35 176.66 1xqq s ARG 74 N -3.63 3.14 0.00 1.70 3.52 -1.26 -3.49 118.95 118.93 1xqq s ARG 74 Ca 0.51 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 1xqq s ARG 74 Cb -0.10 -4.21 0.00 0.00 -1.56 0.00 0.00 34.95 29.08 1xqq s ARG 74 CO 0.28 -1.83 0.00 0.41 -0.81 0.00 0.00 175.30 173.35 1xqq n GLY 75 N 5.32 1.12 0.00 8.12 0.00 -1.26 -5.29 105.19 113.20 1xqq n GLY 75 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93