#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 4.42 0.15 3.17 0.74 -1.26 -0.53 119.66 126.35 1xqq s GLN 2 Ca 0.00 0.89 0.05 0.00 0.05 0.00 0.00 55.36 56.36 1xqq s GLN 2 Cb 0.00 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 1xqq s GLN 2 CO 0.00 0.26 -0.12 0.96 -0.55 0.00 0.00 175.29 175.85 1xqq s ILE 3 N 0.10 1.29 -0.00 -2.34 -4.36 -0.24 -0.28 121.20 115.36 1xqq s ILE 3 Ca 0.35 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 1xqq s ILE 3 Cb -0.19 -1.80 -0.04 0.00 1.25 0.00 0.00 42.46 41.68 1xqq s ILE 3 CO 0.20 -0.65 0.05 -0.36 0.24 0.00 0.00 174.94 174.41 1xqq s PHE 4 N -3.01 3.19 -0.02 1.37 0.08 0.10 -0.59 117.98 119.09 1xqq s PHE 4 Ca 0.16 0.15 0.07 0.00 0.12 0.00 0.00 56.93 57.43 1xqq s PHE 4 Cb 0.00 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.73 1xqq s PHE 4 CO 0.02 0.51 -0.23 0.08 -0.10 0.00 0.00 175.22 175.50 1xqq s VAL 5 N -1.15 1.81 -0.16 -0.44 1.01 -0.46 -1.57 120.40 119.45 1xqq s VAL 5 Ca 0.21 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1xqq s VAL 5 Cb -0.12 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1xqq s VAL 5 CO 0.12 0.51 -0.17 -0.75 0.00 0.00 0.00 175.10 174.81 1xqq s LYS 6 N -0.45 3.14 0.76 2.72 2.20 0.83 -0.39 119.74 128.54 1xqq s LYS 6 Ca 0.06 -0.78 -0.12 0.00 -0.36 0.00 0.00 55.97 54.77 1xqq s LYS 6 Cb -0.10 -2.58 0.05 0.00 -1.51 0.00 0.00 37.83 33.69 1xqq s LYS 6 CO -0.00 -0.03 1.13 0.95 -0.36 0.00 0.00 175.35 177.04 1xqq s THR 7 N 0.89 2.84 0.03 3.43 -4.23 -0.52 -0.07 115.64 118.01 1xqq s THR 7 Ca -0.04 0.27 -0.18 0.00 -1.18 0.00 0.00 61.69 60.56 1xqq s THR 7 Cb -0.15 -3.25 -0.20 0.00 1.34 0.00 0.00 72.50 70.23 1xqq s THR 7 CO -0.02 -0.36 1.18 0.25 -0.54 0.00 0.00 174.62 175.13 1xqq h LEU 8 N -0.85 0.60 -0.60 4.79 6.46 -1.91 -2.97 115.31 120.83 1xqq h LEU 8 Ca -0.46 -0.69 0.01 0.00 -0.12 0.00 0.00 57.88 56.62 1xqq h LEU 8 Cb 1.29 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 41.01 1xqq h LEU 8 CO 0.64 1.21 0.39 0.71 -0.62 0.00 0.00 178.44 180.78 1xqq h THR 9 N 0.05 1.16 0.00 1.05 1.35 -1.96 -3.47 112.91 111.08 1xqq h THR 9 Ca -0.06 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1xqq h THR 9 Cb 1.24 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1xqq h THR 9 CO 0.12 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 1xqq n GLY 10 N -1.25 0.29 3.50 5.82 0.00 -1.12 -5.13 105.19 107.29 1xqq n GLY 10 Ca 0.04 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 3.71 -0.37 1.61 2.20 -1.26 -4.94 119.74 120.69 1xqq s LYS 11 Ca 0.00 -0.48 -0.13 0.00 -0.36 0.00 0.00 55.97 55.00 1xqq s LYS 11 Cb 0.00 -3.07 0.01 0.00 -1.51 0.00 0.00 37.83 33.26 1xqq s LYS 11 CO 0.00 0.13 0.25 0.99 -0.36 0.00 0.00 175.35 176.36 1xqq s THR 12 N 0.70 5.10 -0.11 3.43 2.01 -1.26 -1.44 115.64 124.07 1xqq s THR 12 Ca 0.00 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 1xqq s THR 12 Cb -0.14 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1xqq s THR 12 CO 0.02 -0.17 -0.06 0.27 -0.69 0.00 0.00 174.62 173.99 1xqq s ILE 13 N 1.67 3.77 -0.35 1.82 -4.36 0.47 -4.91 121.20 119.31 1xqq s ILE 13 Ca 0.05 -0.43 -0.22 0.00 -0.26 0.00 0.00 60.65 59.79 1xqq s ILE 13 Cb -0.18 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 40.94 1xqq s ILE 13 CO 0.09 0.55 0.70 -0.89 0.24 0.00 0.00 174.94 175.63 1xqq s THR 14 N -0.23 4.84 0.37 8.37 2.01 -1.26 -1.36 115.64 128.37 1xqq s THR 14 Ca 0.04 0.78 0.07 0.00 0.31 0.00 0.00 61.69 62.89 1xqq s THR 14 Cb -0.13 -4.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 1xqq s THR 14 CO 0.02 -0.32 0.40 -0.76 -0.69 0.00 0.00 174.62 173.27 1xqq s LEU 15 N 2.84 3.63 -0.17 4.42 1.43 0.24 -4.99 118.68 126.08 1xqq s LEU 15 Ca 0.27 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1xqq s LEU 15 Cb -0.14 -2.36 0.05 0.00 0.03 0.00 0.00 46.19 43.76 1xqq s LEU 15 CO 0.15 -0.52 -0.03 -0.70 0.23 0.00 0.00 176.35 175.48 1xqq s GLU 16 N -4.13 1.20 0.05 1.70 2.12 -1.26 -1.07 118.70 117.31 1xqq s GLU 16 Ca 0.46 -0.50 0.08 0.00 0.36 0.00 0.00 54.97 55.37 1xqq s GLU 16 Cb -0.07 -2.02 -0.03 0.00 0.26 0.00 0.00 34.13 32.27 1xqq s GLU 16 CO 0.29 -0.49 -0.23 0.14 -0.54 0.00 0.00 175.26 174.43 1xqq s VAL 17 N 1.68 1.87 0.49 3.70 -7.23 0.31 -4.97 120.40 116.25 1xqq s VAL 17 Ca -0.00 -1.32 -0.21 0.00 -1.81 0.00 0.00 61.98 58.64 1xqq s VAL 17 Cb -0.16 -1.62 -0.07 0.00 0.56 0.00 0.00 36.38 35.09 1xqq s VAL 17 CO -0.07 0.24 1.13 -1.61 -0.31 0.00 0.00 175.10 174.47 1xqq s GLU 18 N -1.29 3.64 0.57 4.82 2.02 -1.26 -0.52 118.70 126.68 1xqq s GLU 18 Ca 0.09 1.64 0.34 0.00 0.02 0.00 0.00 54.97 57.06 1xqq s GLU 18 Cb -0.09 -2.23 1.65 0.00 0.10 0.00 0.00 34.13 33.56 1xqq s GLU 18 CO 0.02 -0.61 2.11 -1.35 0.02 0.00 0.00 175.26 175.44 1xqq h PRO 19 N 1.70 0.00 -0.14 0.39 0.11 -1.97 -2.42 132.00 129.68 1xqq h PRO 19 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xqq h PRO 19 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xqq h PRO 19 CO 0.59 0.05 0.00 0.43 -0.21 0.00 0.00 178.00 178.86 1xqq n SER 20 N -3.27 0.88 -4.90 -2.05 7.64 -1.26 -0.72 113.62 109.94 1xqq n SER 20 Ca -0.01 -1.85 -0.28 0.00 1.01 0.00 0.00 58.87 57.73 1xqq n SER 20 Cb 0.23 -0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 1xqq n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xqq s ASP 21 N -1.19 6.36 0.47 6.43 2.15 -0.91 -4.77 116.67 125.21 1xqq s ASP 21 Ca 0.18 0.94 0.03 0.00 0.43 0.00 0.00 52.55 54.12 1xqq s ASP 21 Cb 0.09 -2.25 0.01 0.00 -0.30 0.00 0.00 42.92 40.47 1xqq s ASP 21 CO 0.13 -0.48 0.67 0.42 -0.17 0.00 0.00 175.17 175.75 1xqq s THR 22 N -2.55 3.30 0.34 1.71 -4.23 -1.26 -1.16 115.64 111.78 1xqq s THR 22 Ca 0.48 -0.70 0.22 0.00 -1.18 0.00 0.00 61.69 60.50 1xqq s THR 22 Cb -0.10 -3.20 0.21 0.00 1.34 0.00 0.00 72.50 70.75 1xqq s THR 22 CO 0.39 -0.12 1.93 0.40 -0.54 0.00 0.00 174.62 176.68 1xqq h ILE 23 N 0.36 0.80 -0.20 2.99 1.08 -1.13 -2.24 117.51 119.17 1xqq h ILE 23 Ca -0.43 -0.92 -0.01 0.00 -0.39 0.00 0.00 64.86 63.10 1xqq h ILE 23 Cb 1.28 1.56 -0.01 0.00 -3.07 0.00 0.00 36.82 36.58 1xqq h ILE 23 CO 0.53 0.23 0.07 -0.08 -0.69 0.00 0.00 178.15 178.21 1xqq h GLU 24 N 0.00 0.30 0.00 2.37 4.81 -1.60 -2.56 114.58 117.90 1xqq h GLU 24 Ca -0.00 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1xqq h GLU 24 Cb 0.54 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1xqq h GLU 24 CO 0.03 0.37 -0.12 -0.91 -0.73 0.00 0.00 179.01 177.65 1xqq h ASN 25 N 0.16 0.00 0.61 1.04 2.35 -1.80 -2.03 115.58 115.92 1xqq h ASN 25 Ca 0.07 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1xqq h ASN 25 Cb 0.19 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.56 1xqq h ASN 25 CO -0.00 0.12 -0.29 0.58 -1.65 0.00 0.00 177.43 176.18 1xqq h VAL 26 N 0.00 0.22 0.00 2.81 2.07 -1.22 -3.28 116.25 116.85 1xqq h VAL 26 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1xqq h VAL 26 Cb 0.44 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1xqq h VAL 26 CO 0.02 0.03 0.00 0.11 0.02 0.00 0.00 177.57 177.74 1xqq h LYS 27 N -1.09 0.00 0.00 1.57 1.57 -1.18 0.25 116.57 117.70 1xqq h LYS 27 Ca -0.08 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1xqq h LYS 27 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1xqq h LYS 27 CO 0.14 0.00 -0.39 0.00 -0.57 0.00 0.00 179.45 178.62 1xqq h ALA 28 N 2.11 1.18 0.04 3.86 0.00 -1.50 -1.85 119.26 123.09 1xqq h ALA 28 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 54.91 54.32 1xqq h ALA 28 Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xqq h ALA 28 CO 0.00 0.49 -1.02 0.87 0.00 0.00 0.00 179.25 179.59 1xqq h LYS 29 N 0.00 0.21 0.01 0.00 1.57 -1.00 -2.04 116.57 115.31 1xqq h LYS 29 Ca -0.00 -0.29 -0.22 0.00 -1.87 0.00 0.00 60.65 58.27 1xqq h LYS 29 Cb 0.78 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1xqq h LYS 29 CO 0.05 1.06 -0.93 0.82 -0.57 0.00 0.00 179.45 179.88 1xqq h ILE 30 N 0.09 1.44 -0.37 1.86 2.04 -1.51 0.38 117.51 121.44 1xqq h ILE 30 Ca -0.07 -2.53 0.04 0.00 1.00 0.00 0.00 64.86 63.31 1xqq h ILE 30 Cb 1.70 2.45 -0.04 0.00 -0.74 0.00 0.00 36.82 40.20 1xqq h ILE 30 CO 0.16 0.75 0.13 -0.61 0.00 0.00 0.00 178.15 178.58 1xqq h GLN 31 N 0.18 0.27 0.58 2.37 4.15 -1.29 0.09 115.11 121.46 1xqq h GLN 31 Ca -0.07 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 1xqq h GLN 31 Cb 1.57 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 29.20 1xqq h GLN 31 CO 0.15 0.18 -0.28 -0.44 -1.93 0.00 0.00 178.83 176.52 1xqq h ASP 32 N 0.28 -0.66 0.18 -0.69 5.19 -0.96 -2.78 116.42 116.98 1xqq h ASP 32 Ca 0.17 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1xqq h ASP 32 Cb 0.15 0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.82 1xqq h ASP 32 CO -0.17 -0.29 -0.11 0.50 -3.12 0.00 0.00 179.24 176.04 1xqq h LYS 33 N -1.06 -0.27 0.00 3.56 3.64 -0.35 -3.38 116.57 118.71 1xqq h LYS 33 Ca -0.08 0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.05 1xqq h LYS 33 Cb 0.65 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.49 1xqq h LYS 33 CO 0.13 -0.18 -1.97 0.39 -2.27 0.00 0.00 179.45 175.54 1xqq n GLU 34 N -5.23 0.41 -0.18 1.90 -0.58 -1.01 -5.05 120.64 110.90 1xqq n GLU 34 Ca -0.08 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1xqq n GLU 34 Cb 0.15 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 1xqq n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xqq n GLY 35 N 2.40 0.62 3.42 0.62 0.00 -0.01 -5.02 105.19 107.22 1xqq n GLY 35 Ca -0.32 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.40 4.56 0.62 -0.61 1.01 -1.06 -4.95 121.20 119.36 1xqq s ILE 36 Ca 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 1xqq s ILE 36 Cb 0.00 -3.37 -0.00 0.00 0.01 0.00 0.00 42.46 39.10 1xqq s ILE 36 CO 0.00 0.01 0.96 -2.16 0.00 0.00 0.00 174.94 173.76 1xqq s PRO 37 N 1.60 3.08 0.00 2.79 0.04 -1.26 -3.18 135.00 138.06 1xqq s PRO 37 Ca 0.04 0.27 0.30 0.00 0.04 0.00 0.00 61.00 61.65 1xqq s PRO 37 Cb -0.17 -2.18 1.54 0.00 0.04 0.00 0.00 34.50 33.72 1xqq s PRO 37 CO 0.06 -0.72 2.04 -2.30 0.04 0.00 0.00 177.00 176.12 1xqq n PRO 38 N -2.69 0.71 0.13 0.56 -0.02 -1.26 -2.41 135.00 130.02 1xqq n PRO 38 Ca 0.05 -0.10 0.01 0.00 -2.02 0.00 0.00 63.50 61.44 1xqq n PRO 38 Cb 0.57 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.60 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1xqq h ASP 39 N 0.24 0.00 0.07 2.55 2.03 -1.93 -3.19 116.42 116.19 1xqq h ASP 39 Ca 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xqq h ASP 39 Cb 0.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1xqq h ASP 39 CO 0.00 0.59 -0.03 1.56 -1.03 0.00 0.00 179.24 180.33 1xqq h GLN 40 N 0.00 -0.09 -6.26 4.15 4.20 -1.74 -3.38 115.11 112.00 1xqq h GLN 40 Ca -0.01 0.01 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1xqq h GLN 40 Cb 1.38 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.16 1xqq h GLN 40 CO 0.08 0.35 1.13 -0.65 -0.67 0.00 0.00 178.83 179.06 1xqq s GLN 41 N -4.30 3.90 -0.28 1.46 -0.21 -1.13 -1.35 119.66 117.74 1xqq s GLN 41 Ca -0.15 1.85 -0.04 0.00 0.02 0.00 0.00 55.36 57.04 1xqq s GLN 41 Cb 0.02 -4.03 0.02 0.00 1.00 0.00 0.00 33.01 30.02 1xqq s GLN 41 CO 0.63 -1.17 0.02 0.50 -2.12 0.00 0.00 175.29 173.15 1xqq s ARG 42 N 4.51 2.86 -0.08 2.91 3.52 -1.01 -4.82 118.95 126.84 1xqq s ARG 42 Ca 0.73 -0.99 -0.26 0.00 -0.13 0.00 0.00 55.73 55.08 1xqq s ARG 42 Cb -0.28 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 1xqq s ARG 42 CO 0.29 -0.47 0.84 -0.51 -0.81 0.00 0.00 175.30 174.64 1xqq s LEU 43 N 1.39 4.28 -0.02 -0.88 1.43 -1.26 -2.74 118.68 120.88 1xqq s LEU 43 Ca 0.00 1.34 0.07 0.00 -1.03 0.00 0.00 54.13 54.51 1xqq s LEU 43 Cb -0.18 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 1xqq s LEU 43 CO -0.01 -0.27 -0.24 -0.63 0.23 0.00 0.00 176.35 175.43 1xqq s ILE 44 N 1.37 1.90 -0.00 -0.59 -1.09 -0.84 -2.43 121.20 119.52 1xqq s ILE 44 Ca 0.42 -1.03 0.02 0.00 -2.23 0.00 0.00 60.65 57.84 1xqq s ILE 44 Cb -0.18 -1.58 -0.00 0.00 -1.58 0.00 0.00 42.46 39.11 1xqq s ILE 44 CO 0.19 0.54 -0.06 0.12 -1.23 0.00 0.00 174.94 174.50 1xqq s PHE 45 N -0.55 0.55 0.00 3.97 5.36 -1.03 -1.96 117.98 124.33 1xqq s PHE 45 Ca 0.09 -0.10 0.00 0.00 -0.96 0.00 0.00 56.93 55.95 1xqq s PHE 45 Cb -0.09 -0.36 0.00 0.00 -0.34 0.00 0.00 43.02 42.23 1xqq s PHE 45 CO -0.01 -0.01 0.00 0.00 -1.46 0.00 0.00 175.22 173.74 1xqq n ALA 46 N 2.93 0.00 -2.35 11.12 0.00 -1.26 -1.57 120.51 129.38 1xqq n ALA 46 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 1xqq n ALA 46 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 0.92 3.88 0.00 0.00 -1.26 -5.06 105.19 103.67 1xqq n GLY 47 Ca 0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.24 3.67 -0.12 1.61 1.02 -0.61 -5.10 119.74 119.98 1xqq s LYS 48 Ca 0.20 0.02 -0.08 0.00 0.02 0.00 0.00 55.97 56.14 1xqq s LYS 48 Cb 0.25 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 1xqq s LYS 48 CO -0.10 0.53 0.15 -1.14 -0.92 0.00 0.00 175.35 173.87 1xqq s GLN 49 N -2.24 3.51 -0.12 1.68 0.74 -1.26 -2.45 119.66 119.51 1xqq s GLN 49 Ca 0.36 -0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.67 1xqq s GLN 49 Cb -0.13 -3.20 -0.02 0.00 1.10 0.00 0.00 33.01 30.76 1xqq s GLN 49 CO 0.21 0.75 -0.13 -0.51 -0.55 0.00 0.00 175.29 175.06 1xqq s LEU 50 N -0.96 2.76 0.20 3.68 2.01 -1.02 -5.01 118.68 120.33 1xqq s LEU 50 Ca 0.15 -0.29 0.04 0.00 0.01 0.00 0.00 54.13 54.04 1xqq s LEU 50 Cb -0.12 -1.61 -0.03 0.00 0.01 0.00 0.00 46.19 44.43 1xqq s LEU 50 CO 0.04 0.20 0.29 -1.61 1.01 0.00 0.00 176.35 176.28 1xqq s GLU 51 N 0.16 3.34 0.08 1.70 2.02 -1.26 -4.68 118.70 120.05 1xqq s GLU 51 Ca -0.07 -0.73 -0.28 0.00 0.02 0.00 0.00 54.97 53.91 1xqq s GLU 51 Cb -0.15 -2.87 -0.17 0.00 0.10 0.00 0.00 34.13 31.04 1xqq s GLU 51 CO 0.05 0.47 1.68 -0.44 0.02 0.00 0.00 175.26 177.03 1xqq h ASP 52 N 1.73 -0.44 -0.79 -0.19 3.32 -1.99 -3.16 116.42 114.90 1xqq h ASP 52 Ca -0.50 0.02 -0.46 0.00 0.02 0.00 0.00 57.03 56.11 1xqq h ASP 52 Cb 1.21 0.12 -0.24 0.00 0.22 0.00 0.00 39.33 40.64 1xqq h ASP 52 CO 0.64 -0.31 0.59 0.61 -1.72 0.00 0.00 179.24 179.06 1xqq n GLY 53 N -1.31 4.45 3.55 2.75 0.00 -1.26 -1.62 105.19 111.75 1xqq n GLY 53 Ca -0.11 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.78 2.03 0.64 1.61 0.52 -1.19 -4.99 118.95 114.78 1xqq s ARG 54 Ca 0.48 -1.09 -0.02 0.00 -0.52 0.00 0.00 55.73 54.58 1xqq s ARG 54 Cb 0.39 -2.24 0.06 0.00 0.52 0.00 0.00 34.95 33.68 1xqq s ARG 54 CO 0.05 0.49 0.90 0.95 0.02 0.00 0.00 175.30 177.72 1xqq s THR 55 N -1.24 2.43 0.06 0.02 -4.23 -1.26 -2.46 115.64 108.96 1xqq s THR 55 Ca 0.21 -0.51 0.08 0.00 -1.18 0.00 0.00 61.69 60.29 1xqq s THR 55 Cb -0.11 -2.93 -0.22 0.00 1.34 0.00 0.00 72.50 70.58 1xqq s THR 55 CO 0.13 0.00 1.05 -0.07 -0.54 0.00 0.00 174.62 175.19 1xqq h LEU 56 N -0.29 0.03 -1.03 4.79 3.38 -0.99 -2.92 115.31 118.29 1xqq h LEU 56 Ca -0.42 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.53 1xqq h LEU 56 Cb 1.30 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.98 1xqq h LEU 56 CO 0.52 1.04 0.65 0.28 0.09 0.00 0.00 178.44 181.03 1xqq h SER 57 N 0.01 1.10 0.81 -0.43 0.02 -1.18 -2.05 113.55 111.83 1xqq h SER 57 Ca -0.12 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1xqq h SER 57 Cb 1.87 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 64.15 1xqq h SER 57 CO 0.12 0.77 -0.50 -0.78 -1.14 0.00 0.00 176.83 175.30 1xqq h ASP 58 N 1.28 -1.25 0.64 3.07 1.82 -1.80 -3.11 116.42 117.08 1xqq h ASP 58 Ca 0.39 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 1xqq h ASP 58 Cb -0.04 0.36 0.00 0.00 0.68 0.00 0.00 39.33 40.33 1xqq h ASP 58 CO -0.11 -0.77 0.00 -1.22 -1.61 0.00 0.00 179.24 175.53 1xqq n TYR 59 N -5.63 0.35 -2.75 0.28 4.01 -1.17 -4.92 117.16 107.32 1xqq n TYR 59 Ca -0.15 0.13 -0.11 0.00 -0.16 0.00 0.00 57.90 57.62 1xqq n TYR 59 Cb 0.51 -0.71 0.05 0.00 -0.31 0.00 0.00 39.34 38.87 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 -1.81 -5.33 -4.79 7.72 2.85 -0.83 -5.01 115.26 108.06 1xqq n ASN 60 Ca 0.03 -0.51 -0.38 0.00 -0.11 0.00 0.00 54.58 53.61 1xqq n ASN 60 Cb 0.21 -3.87 -0.06 0.00 1.24 0.00 0.00 39.78 37.30 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1xqq s ILE 61 N -3.28 4.93 0.35 -1.44 -1.09 -0.85 -5.05 121.20 114.77 1xqq s ILE 61 Ca 0.33 1.08 0.05 0.00 -2.23 0.00 0.00 60.65 59.88 1xqq s ILE 61 Cb -0.04 -3.84 0.05 0.00 -1.58 0.00 0.00 42.46 37.05 1xqq s ILE 61 CO 0.53 0.49 0.46 0.00 -1.23 0.00 0.00 174.94 175.18 1xqq n GLN 62 N 2.32 0.79 -2.67 2.79 6.02 -1.26 -4.86 117.38 120.51 1xqq n GLN 62 Ca -0.10 -1.89 -0.39 0.00 -0.01 0.00 0.00 57.00 54.61 1xqq n GLN 62 Cb 0.51 -0.11 -0.06 0.00 1.02 0.00 0.00 30.24 31.61 1xqq n GLN 62 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1xqq s LYS 63 N -3.55 4.64 -1.67 -1.09 1.02 -1.26 -3.93 119.74 113.90 1xqq s LYS 63 Ca 0.35 1.51 -0.01 0.00 0.02 0.00 0.00 55.97 57.84 1xqq s LYS 63 Cb -0.03 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.27 1xqq s LYS 63 CO 0.22 0.29 0.09 0.39 -0.92 0.00 0.00 175.35 175.43 1xqq n GLU 64 N 0.94 -2.09 -2.15 1.68 1.02 0.61 -4.96 120.64 115.68 1xqq n GLU 64 Ca 0.00 0.95 -0.31 0.00 -0.02 0.00 0.00 57.16 57.78 1xqq n GLU 64 Cb 0.48 -5.58 -0.00 0.00 -0.02 0.00 0.00 31.44 26.31 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 -2.20 6.34 -0.31 1.62 0.15 -1.25 -4.61 113.70 113.44 1xqq s SER 65 Ca 0.05 1.37 0.03 0.00 0.70 0.00 0.00 55.95 58.10 1xqq s SER 65 Cb -0.02 -2.44 0.08 0.00 -1.71 0.00 0.00 66.02 61.93 1xqq s SER 65 CO 0.06 -0.74 -0.00 -0.89 1.20 0.00 0.00 173.24 172.87 1xqq s THR 66 N -2.95 2.08 0.22 6.45 2.01 -1.26 0.00 115.64 122.20 1xqq s THR 66 Ca 0.55 -1.98 -0.14 0.00 0.31 0.00 0.00 61.69 60.43 1xqq s THR 66 Cb -0.11 -2.42 -0.08 0.00 0.01 0.00 0.00 72.50 69.91 1xqq s THR 66 CO 0.46 -0.40 0.63 -0.76 -0.69 0.00 0.00 174.62 173.86 1xqq s LEU 67 N 1.05 4.23 -0.13 4.42 1.43 -0.61 -4.94 118.68 124.13 1xqq s LEU 67 Ca 0.04 1.15 -0.07 0.00 -1.03 0.00 0.00 54.13 54.22 1xqq s LEU 67 Cb -0.19 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 1xqq s LEU 67 CO -0.08 -0.03 0.12 -1.00 0.23 0.00 0.00 176.35 175.59 1xqq s HIS 68 N -1.69 3.51 -0.07 0.29 3.76 -0.83 -0.12 115.29 120.15 1xqq s HIS 68 Ca 0.45 0.44 -0.02 0.00 -0.15 0.00 0.00 55.06 55.78 1xqq s HIS 68 Cb -0.13 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 1xqq s HIS 68 CO 0.20 0.61 0.02 -0.51 -0.85 0.00 0.00 174.74 174.21 1xqq s LEU 69 N -0.70 3.69 0.00 0.89 1.43 0.90 -1.99 118.68 122.90 1xqq s LEU 69 Ca 0.13 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1xqq s LEU 69 Cb -0.12 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1xqq s LEU 69 CO 0.03 0.36 0.00 1.33 0.23 0.00 0.00 176.35 178.29 1xqq n VAL 70 N 1.92 0.00 -3.42 -1.59 0.24 -1.11 -3.79 118.33 110.59 1xqq n VAL 70 Ca -0.18 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.75 1xqq n VAL 70 Cb 0.54 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.83 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xqq s LEU 71 N 0.00 4.17 0.06 1.34 1.43 -1.26 -2.40 118.68 122.01 1xqq s LEU 71 Ca 0.00 0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 1xqq s LEU 71 Cb 0.00 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1xqq s LEU 71 CO 0.00 -0.04 0.10 -0.60 0.23 0.00 0.00 176.35 176.04 1xqq s ARG 72 N 1.16 3.02 0.02 1.70 3.52 -0.46 -4.81 118.95 123.09 1xqq s ARG 72 Ca 0.18 -0.60 -0.17 0.00 -0.13 0.00 0.00 55.73 55.01 1xqq s ARG 72 Cb -0.14 -2.81 -0.10 0.00 -1.56 0.00 0.00 34.95 30.34 1xqq s ARG 72 CO 0.07 0.59 1.08 -0.07 -0.81 0.00 0.00 175.30 176.17 1xqq h LEU 73 N 3.46 -0.53 0.00 -0.88 3.38 -1.88 -3.43 115.31 115.44 1xqq h LEU 73 Ca -0.47 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1xqq h LEU 73 Cb 1.17 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1xqq h LEU 73 CO 0.67 -0.33 0.00 -1.14 0.09 0.00 0.00 178.44 177.73 1xqq n ARG 74 N -3.95 0.00 -2.66 1.13 0.63 -1.26 -4.93 116.66 105.62 1xqq n ARG 74 Ca -0.08 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.71 1xqq n ARG 74 Cb 0.25 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.17 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xqq n GLY 75 N -0.58 2.80 0.00 5.14 0.00 -1.26 -4.57 105.19 106.72 1xqq n GLY 75 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93