#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 3.36 0.14 2.12 0.74 -1.26 -1.58 119.66 123.18 1xqq s GLN 2 Ca 0.00 -0.43 0.11 0.00 0.05 0.00 0.00 55.36 55.09 1xqq s GLN 2 Cb 0.00 -3.89 -0.04 0.00 1.10 0.00 0.00 33.01 30.17 1xqq s GLN 2 CO 0.00 -0.79 -0.26 0.96 -0.55 0.00 0.00 175.29 174.65 1xqq s ILE 3 N 2.38 2.25 0.13 -2.34 -4.36 -0.63 0.42 121.20 119.05 1xqq s ILE 3 Ca 0.17 -1.81 0.09 0.00 -0.26 0.00 0.00 60.65 58.84 1xqq s ILE 3 Cb -0.16 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.51 1xqq s ILE 3 CO 0.15 0.03 -0.18 -0.36 0.24 0.00 0.00 174.94 174.82 1xqq s PHE 4 N -1.21 2.53 -0.03 1.37 0.08 0.02 -0.55 117.98 120.19 1xqq s PHE 4 Ca 0.15 -0.26 0.02 0.00 0.12 0.00 0.00 56.93 56.96 1xqq s PHE 4 Cb -0.09 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 41.03 1xqq s PHE 4 CO 0.07 0.40 -0.09 0.08 -0.10 0.00 0.00 175.22 175.58 1xqq s VAL 5 N -1.21 0.79 0.03 -0.44 1.01 0.20 0.05 120.40 120.83 1xqq s VAL 5 Ca 0.19 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.90 1xqq s VAL 5 Cb -0.10 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1xqq s VAL 5 CO 0.10 0.25 -0.26 -0.54 0.00 0.00 0.00 175.10 174.65 1xqq s LYS 6 N 0.23 1.88 0.50 2.72 1.02 0.39 -0.95 119.74 125.53 1xqq s LYS 6 Ca -0.04 -1.07 -0.06 0.00 0.02 0.00 0.00 55.97 54.82 1xqq s LYS 6 Cb -0.09 -2.00 0.11 0.00 -0.52 0.00 0.00 37.83 35.33 1xqq s LYS 6 CO 0.01 0.52 0.68 0.25 -0.92 0.00 0.00 175.35 175.89 1xqq n THR 7 N 1.90 0.00 0.06 2.17 -2.24 -1.04 -1.96 114.28 113.17 1xqq n THR 7 Ca -0.17 -0.65 -0.13 0.00 -2.27 0.00 0.00 64.05 60.84 1xqq n THR 7 Cb 0.52 -1.54 -0.09 0.00 -2.10 0.00 0.00 70.33 67.12 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 -0.12 -0.41 3.22 5.85 -1.93 -3.20 115.31 118.73 1xqq h LEU 8 Ca -0.22 -0.27 -0.18 0.00 0.84 0.00 0.00 57.88 58.05 1xqq h LEU 8 Cb 0.66 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1xqq h LEU 8 CO 0.18 0.22 -0.79 0.71 -0.34 0.00 0.00 178.44 178.41 1xqq h THR 9 N -0.47 1.49 0.00 1.05 1.35 -1.96 -3.48 112.91 110.89 1xqq h THR 9 Ca -0.01 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 1xqq h THR 9 Cb 0.39 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1xqq h THR 9 CO 0.02 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 1xqq n GLY 10 N 0.70 0.72 3.41 5.82 0.00 -1.21 -5.15 105.19 109.48 1xqq n GLY 10 Ca -0.03 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 1xqq n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 11 N -0.73 1.66 -0.31 1.61 -2.85 -1.26 -4.91 119.74 112.96 1xqq s LYS 11 Ca 0.00 -1.21 -0.10 0.00 -1.00 0.00 0.00 55.97 53.66 1xqq s LYS 11 Cb 0.00 -2.00 -0.01 0.00 -2.06 0.00 0.00 37.83 33.76 1xqq s LYS 11 CO 0.00 0.48 0.15 0.99 0.10 0.00 0.00 175.35 177.08 1xqq s THR 12 N -0.99 4.64 -0.03 3.79 2.01 -1.26 -2.49 115.64 121.31 1xqq s THR 12 Ca 0.14 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.49 1xqq s THR 12 Cb -0.10 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1xqq s THR 12 CO 0.06 0.09 0.94 -0.63 -0.69 0.00 0.00 174.62 174.39 1xqq s ILE 13 N 1.63 4.88 -0.14 1.82 1.01 -0.13 -4.90 121.20 125.37 1xqq s ILE 13 Ca 0.05 1.96 -0.05 0.00 0.00 0.00 0.00 60.65 62.61 1xqq s ILE 13 Cb -0.17 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 1xqq s ILE 13 CO 0.06 0.14 0.04 -0.89 0.00 0.00 0.00 174.94 174.30 1xqq s THR 14 N 1.21 4.65 -0.17 2.92 2.01 -1.26 -0.63 115.64 124.38 1xqq s THR 14 Ca 0.49 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.40 1xqq s THR 14 Cb -0.20 -3.03 0.02 0.00 0.01 0.00 0.00 72.50 69.30 1xqq s THR 14 CO 0.24 0.54 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.79 1xqq s LEU 15 N -0.29 1.93 -0.60 4.42 1.43 0.29 -5.01 118.68 120.84 1xqq s LEU 15 Ca 0.08 -0.59 -0.24 0.00 -1.03 0.00 0.00 54.13 52.36 1xqq s LEU 15 Cb -0.12 -1.32 0.05 0.00 0.03 0.00 0.00 46.19 44.83 1xqq s LEU 15 CO 0.02 -0.04 0.96 -0.70 0.23 0.00 0.00 176.35 176.82 1xqq s GLU 16 N 1.39 3.24 0.41 1.70 2.56 -1.26 -1.61 118.70 125.13 1xqq s GLU 16 Ca 0.05 -0.49 0.08 0.00 0.00 0.00 0.00 54.97 54.61 1xqq s GLU 16 Cb -0.13 -4.13 -0.04 0.00 2.00 0.00 0.00 34.13 31.84 1xqq s GLU 16 CO -0.12 -1.64 0.27 0.14 -0.56 0.00 0.00 175.26 173.36 1xqq s VAL 17 N 4.06 2.54 0.02 3.70 -7.23 -0.62 -4.88 120.40 117.99 1xqq s VAL 17 Ca 0.27 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 1xqq s VAL 17 Cb -0.14 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.76 1xqq s VAL 17 CO 0.15 -0.02 0.00 -1.61 -0.31 0.00 0.00 175.10 173.32 1xqq s GLU 18 N -4.01 2.74 0.41 4.82 2.02 -1.26 -0.22 118.70 123.20 1xqq s GLU 18 Ca 0.44 -0.65 0.22 0.00 0.02 0.00 0.00 54.97 55.00 1xqq s GLU 18 Cb -0.00 -2.65 1.19 0.00 0.10 0.00 0.00 34.13 32.77 1xqq s GLU 18 CO 0.25 0.61 1.74 -1.35 0.02 0.00 0.00 175.26 176.53 1xqq h PRO 19 N 4.17 0.30 -0.13 0.39 0.11 -1.96 0.58 132.00 135.47 1xqq h PRO 19 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xqq h PRO 19 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xqq h PRO 19 CO 0.58 0.20 0.00 0.45 -0.21 0.00 0.00 178.00 179.02 1xqq n SER 20 N -4.62 1.09 -4.73 -2.05 2.88 -1.26 -1.73 113.62 103.19 1xqq n SER 20 Ca 0.28 -1.68 -0.42 0.00 -1.33 0.00 0.00 58.87 55.72 1xqq n SER 20 Cb 1.01 -0.08 -0.02 0.00 -0.75 0.00 0.00 64.21 64.36 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1xqq s ASP 21 N -1.46 6.47 0.86 -3.46 1.01 0.19 -4.69 116.67 115.59 1xqq s ASP 21 Ca 0.28 2.80 -0.11 0.00 0.71 0.00 0.00 52.55 56.23 1xqq s ASP 21 Cb 0.14 -2.61 0.11 0.00 1.01 0.00 0.00 42.92 41.57 1xqq s ASP 21 CO 0.22 -0.88 1.10 0.42 0.21 0.00 0.00 175.17 176.24 1xqq s THR 22 N 0.62 2.79 0.21 -1.27 -4.23 -1.26 -1.99 115.64 110.51 1xqq s THR 22 Ca 0.68 0.26 -0.09 0.00 -1.18 0.00 0.00 61.69 61.35 1xqq s THR 22 Cb -0.46 -2.61 0.16 0.00 1.34 0.00 0.00 72.50 70.93 1xqq s THR 22 CO 0.39 -0.34 1.83 0.40 -0.54 0.00 0.00 174.62 176.36 1xqq h ILE 23 N -1.50 1.24 0.00 2.99 1.08 -0.41 -2.19 117.51 118.72 1xqq h ILE 23 Ca -0.46 -0.58 -0.03 0.00 -0.39 0.00 0.00 64.86 63.39 1xqq h ILE 23 Cb 1.26 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1xqq h ILE 23 CO 0.50 0.26 -0.16 -0.08 -0.69 0.00 0.00 178.15 177.98 1xqq h GLU 24 N 1.10 0.00 -0.18 2.37 4.81 -1.56 -1.15 114.58 119.97 1xqq h GLU 24 Ca 0.28 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1xqq h GLU 24 Cb 0.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1xqq h GLU 24 CO -0.05 0.16 -0.47 -0.91 -0.73 0.00 0.00 179.01 177.02 1xqq h ASN 25 N 0.00 0.50 -0.74 1.04 2.35 -1.69 -2.06 115.58 114.98 1xqq h ASN 25 Ca -0.00 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1xqq h ASN 25 Cb 0.33 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1xqq h ASN 25 CO 0.02 0.89 0.41 0.58 -1.65 0.00 0.00 177.43 177.68 1xqq h VAL 26 N 0.37 1.22 -0.48 2.81 2.07 -0.75 -2.88 116.25 118.62 1xqq h VAL 26 Ca 0.02 -0.55 0.14 0.00 0.82 0.00 0.00 66.70 67.13 1xqq h VAL 26 Cb 0.96 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1xqq h VAL 26 CO 0.08 0.25 0.36 0.11 0.02 0.00 0.00 177.57 178.39 1xqq h LYS 27 N 1.02 0.00 -0.06 1.57 1.57 -1.24 -2.86 116.57 116.58 1xqq h LYS 27 Ca 0.26 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.89 1xqq h LYS 27 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1xqq h LYS 27 CO -0.04 0.00 -0.62 0.00 -0.57 0.00 0.00 179.45 178.22 1xqq h ALA 28 N 1.73 0.85 0.00 3.86 0.00 -1.14 -1.32 119.26 123.25 1xqq h ALA 28 Ca 0.23 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xqq h ALA 28 Cb 0.94 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xqq h ALA 28 CO -0.00 0.74 -0.02 0.87 0.00 0.00 0.00 179.25 180.84 1xqq h LYS 29 N 0.15 0.00 0.00 0.00 1.57 -1.57 -2.35 116.57 114.38 1xqq h LYS 29 Ca -0.01 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 1xqq h LYS 29 Cb 1.12 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 1xqq h LYS 29 CO 0.09 0.02 -1.31 0.82 -0.57 0.00 0.00 179.45 178.50 1xqq h ILE 30 N 0.00 1.01 -0.69 1.86 2.04 -1.35 -2.10 117.51 118.27 1xqq h ILE 30 Ca -0.00 -2.68 -0.07 0.00 1.00 0.00 0.00 64.86 63.11 1xqq h ILE 30 Cb 0.53 2.45 -0.03 0.00 -0.74 0.00 0.00 36.82 39.03 1xqq h ILE 30 CO 0.00 0.57 0.17 -0.61 0.00 0.00 0.00 178.15 178.29 1xqq h GLN 31 N 0.00 1.11 0.01 2.37 4.15 -1.23 0.42 115.11 121.95 1xqq h GLN 31 Ca -0.15 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.00 1xqq h GLN 31 Cb 1.78 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.32 1xqq h GLN 31 CO 0.08 0.98 -0.01 0.22 -1.93 0.00 0.00 178.83 178.18 1xqq h ASP 32 N 1.04 -0.01 0.00 -0.69 3.58 -1.50 -3.24 116.42 115.61 1xqq h ASP 32 Ca 0.22 -0.74 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1xqq h ASP 32 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1xqq h ASP 32 CO 0.00 0.75 0.00 1.17 -2.88 0.00 0.00 179.24 178.28 1xqq n LYS 33 N -4.73 0.00 0.03 0.28 3.00 -0.79 -4.49 118.16 111.45 1xqq n LYS 33 Ca -0.09 0.50 -0.13 0.00 -0.00 0.00 0.00 58.31 58.59 1xqq n LYS 33 Cb 0.37 -1.17 -0.09 0.00 0.00 0.00 0.00 35.03 34.14 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 -0.07 0.00 1.64 4.39 -1.17 -3.48 114.58 115.89 1xqq h GLU 34 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xqq h GLU 34 Cb 0.00 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1xqq h GLU 34 CO 0.00 0.30 0.00 0.41 -1.16 0.00 0.00 179.01 178.56 1xqq n GLY 35 N -0.08 1.28 3.69 -3.84 0.00 -0.80 -5.02 105.19 100.42 1xqq n GLY 35 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 4.89 0.91 -0.61 1.01 -1.26 -4.98 121.20 119.17 1xqq s ILE 36 Ca 0.00 1.78 -0.12 0.00 0.00 0.00 0.00 60.65 62.31 1xqq s ILE 36 Cb 0.00 -4.20 0.14 0.00 0.01 0.00 0.00 42.46 38.41 1xqq s ILE 36 CO 0.00 0.09 1.11 -2.16 0.00 0.00 0.00 174.94 173.98 1xqq s PRO 37 N 1.62 1.14 0.17 2.79 0.04 -1.26 -3.73 135.00 135.78 1xqq s PRO 37 Ca 0.43 0.51 0.24 0.00 0.04 0.00 0.00 61.00 62.23 1xqq s PRO 37 Cb -0.18 -1.82 0.41 0.00 0.04 0.00 0.00 34.50 32.95 1xqq s PRO 37 CO 0.18 -2.24 1.41 -1.00 0.04 0.00 0.00 177.00 175.39 1xqq h PRO 38 N -1.54 0.00 -0.05 0.56 0.13 -1.91 -3.03 132.00 126.16 1xqq h PRO 38 Ca -0.51 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.46 1xqq h PRO 38 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1xqq h PRO 38 CO 0.59 0.00 -0.68 0.38 -0.23 0.00 0.00 178.00 178.06 1xqq h ASP 39 N 0.00 0.27 0.34 1.44 2.03 -1.99 -3.30 116.42 115.21 1xqq h ASP 39 Ca 0.00 -0.17 -0.23 0.00 -0.73 0.00 0.00 57.03 55.89 1xqq h ASP 39 Cb 0.79 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.22 1xqq h ASP 39 CO 0.00 0.87 -0.98 -0.61 -1.03 0.00 0.00 179.24 177.49 1xqq h GLN 40 N 0.16 0.42 -6.77 4.15 4.15 -1.91 -3.44 115.11 111.87 1xqq h GLN 40 Ca -0.02 -0.47 -0.53 0.00 0.77 0.00 0.00 58.65 58.40 1xqq h GLN 40 Cb 1.22 0.14 0.06 0.00 0.21 0.00 0.00 27.48 29.12 1xqq h GLN 40 CO 0.11 1.14 0.78 -0.65 -1.93 0.00 0.00 178.83 178.28 1xqq s GLN 41 N -3.21 4.23 -0.14 1.69 -0.21 -1.16 -2.61 119.66 118.26 1xqq s GLN 41 Ca -0.06 2.37 -0.01 0.00 0.02 0.00 0.00 55.36 57.68 1xqq s GLN 41 Cb 0.08 -3.08 0.04 0.00 1.00 0.00 0.00 33.01 31.05 1xqq s GLN 41 CO 0.87 -0.46 -0.02 0.50 -2.12 0.00 0.00 175.29 174.06 1xqq s ARG 42 N -0.52 1.07 0.01 2.91 3.52 -0.56 -4.93 118.95 120.45 1xqq s ARG 42 Ca 0.60 -0.29 -0.07 0.00 -0.13 0.00 0.00 55.73 55.83 1xqq s ARG 42 Cb -0.43 -1.69 -0.05 0.00 -1.56 0.00 0.00 34.95 31.22 1xqq s ARG 42 CO 0.45 -0.42 0.28 -0.51 -0.81 0.00 0.00 175.30 174.29 1xqq s LEU 43 N 1.78 4.37 -0.01 -0.88 1.43 -1.26 -0.74 118.68 123.38 1xqq s LEU 43 Ca 0.02 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1xqq s LEU 43 Cb -0.14 -2.66 0.01 0.00 0.03 0.00 0.00 46.19 43.42 1xqq s LEU 43 CO -0.07 0.26 0.00 -0.51 0.23 0.00 0.00 176.35 176.26 1xqq s ILE 44 N -1.28 0.01 -0.11 -0.59 1.10 -0.25 -4.57 121.20 115.52 1xqq s ILE 44 Ca 0.27 0.05 -0.06 0.00 -0.51 0.00 0.00 60.65 60.40 1xqq s ILE 44 Cb -0.13 -0.05 -0.02 0.00 0.15 0.00 0.00 42.46 42.40 1xqq s ILE 44 CO 0.15 0.03 -0.11 0.15 -2.11 0.00 0.00 174.94 173.05 1xqq h PHE 45 N 6.47 0.00 0.00 3.50 3.57 -1.86 0.40 116.94 129.02 1xqq h PHE 45 Ca -0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1xqq h PHE 45 Cb 1.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1xqq h PHE 45 CO 0.44 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.52 1xqq n ALA 46 N -3.21 1.08 -1.09 2.41 0.00 -1.26 -4.75 120.51 113.70 1xqq n ALA 46 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1xqq n ALA 46 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 0.86 -2.29 3.72 0.00 0.00 -1.26 -5.03 105.19 101.19 1xqq n GLY 47 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.54 -0.32 1.61 2.20 -1.26 -5.03 119.74 121.49 1xqq s LYS 48 Ca 0.00 1.22 -0.29 0.00 -0.36 0.00 0.00 55.97 56.54 1xqq s LYS 48 Cb 0.00 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1xqq s LYS 48 CO 0.00 0.11 1.35 -1.14 -0.36 0.00 0.00 175.35 175.31 1xqq s GLN 49 N 0.51 3.84 -0.61 4.03 0.74 -1.26 -4.70 119.66 122.21 1xqq s GLN 49 Ca 0.44 1.22 -0.27 0.00 0.05 0.00 0.00 55.36 56.80 1xqq s GLN 49 Cb -0.21 -3.92 -0.00 0.00 1.10 0.00 0.00 33.01 29.98 1xqq s GLN 49 CO 0.25 -1.23 1.65 -0.51 -0.55 0.00 0.00 175.29 174.90 1xqq s LEU 50 N 4.66 3.30 0.00 3.68 1.43 -1.26 -5.03 118.68 125.45 1xqq s LEU 50 Ca 0.59 0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 53.84 1xqq s LEU 50 Cb -0.17 -2.70 0.10 0.00 0.03 0.00 0.00 46.19 43.45 1xqq s LEU 50 CO 0.26 -2.10 0.31 -0.62 0.23 0.00 0.00 176.35 174.43 1xqq n GLU 51 N 9.08 -1.90 -0.04 1.70 1.02 -1.26 -4.89 120.64 124.35 1xqq n GLU 51 Ca 0.15 -0.50 -0.02 0.00 -0.02 0.00 0.00 57.16 56.77 1xqq n GLU 51 Cb 0.51 -0.50 -0.01 0.00 -0.02 0.00 0.00 31.44 31.42 1xqq n GLU 51 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1xqq h ASP 52 N -1.72 0.00 -0.67 1.62 3.32 -1.95 -3.42 116.42 113.59 1xqq h ASP 52 Ca -0.12 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.48 1xqq h ASP 52 Cb 0.38 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.74 1xqq h ASP 52 CO 0.08 0.42 0.57 0.61 -1.72 0.00 0.00 179.24 179.19 1xqq n GLY 53 N 1.75 4.69 3.26 2.75 0.00 -1.26 -1.58 105.19 114.79 1xqq n GLY 53 Ca -0.03 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.47 1.39 0.39 1.61 1.81 -1.26 -4.92 118.95 115.49 1xqq s ARG 54 Ca 0.43 -0.96 -0.06 0.00 -1.72 0.00 0.00 55.73 53.42 1xqq s ARG 54 Cb 0.33 -1.52 -0.05 0.00 -0.45 0.00 0.00 34.95 33.27 1xqq s ARG 54 CO -0.01 0.38 0.68 0.95 -0.68 0.00 0.00 175.30 176.62 1xqq s THR 55 N -0.83 4.94 0.31 0.02 -4.23 -1.26 -1.65 115.64 112.94 1xqq s THR 55 Ca 0.08 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.77 1xqq s THR 55 Cb -0.09 -3.79 0.18 0.00 1.34 0.00 0.00 72.50 70.13 1xqq s THR 55 CO 0.02 -0.58 1.87 -0.07 -0.54 0.00 0.00 174.62 175.33 1xqq h LEU 56 N 0.97 0.71 -0.53 4.79 3.38 -1.47 -3.12 115.31 120.03 1xqq h LEU 56 Ca -0.48 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.32 1xqq h LEU 56 Cb 1.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1xqq h LEU 56 CO 0.63 0.67 0.07 -1.28 0.09 0.00 0.00 178.44 178.63 1xqq h SER 57 N 0.75 0.86 1.34 -0.43 0.87 -1.58 0.23 113.55 115.59 1xqq h SER 57 Ca 0.17 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1xqq h SER 57 Cb 0.22 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1xqq h SER 57 CO -0.01 0.92 -0.10 0.47 -0.53 0.00 0.00 176.83 177.57 1xqq n ASP 58 N -4.35 0.74 -0.97 6.23 8.00 -1.19 -1.69 116.55 123.33 1xqq n ASP 58 Ca 0.02 0.49 0.10 0.00 0.71 0.00 0.00 54.79 56.11 1xqq n ASP 58 Cb 0.28 -0.62 0.17 0.00 -0.02 0.00 0.00 41.12 40.93 1xqq n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1xqq n TYR 59 N -2.18 0.39 -3.91 1.24 4.01 -1.20 -4.97 117.16 110.54 1xqq n TYR 59 Ca 0.05 -0.23 -0.26 0.00 -0.16 0.00 0.00 57.90 57.30 1xqq n TYR 59 Cb 0.42 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 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 1.22 -1.63 -4.54 7.72 3.02 -0.68 -4.93 115.26 115.44 1xqq n ASN 60 Ca 0.16 -0.92 -0.43 0.00 -0.03 0.00 0.00 54.58 53.37 1xqq n ASN 60 Cb 0.53 -3.44 -0.04 0.00 -0.61 0.00 0.00 39.78 36.23 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 -3.69 4.30 0.24 2.41 1.01 0.78 -5.02 121.20 121.23 1xqq s ILE 61 Ca 0.20 0.53 0.03 0.00 0.00 0.00 0.00 60.65 61.40 1xqq s ILE 61 Cb -0.10 -4.58 0.03 0.00 0.01 0.00 0.00 42.46 37.82 1xqq s ILE 61 CO 0.86 -1.13 0.26 0.00 0.00 0.00 0.00 174.94 174.93 1xqq n GLN 62 N 7.68 0.99 -2.95 2.79 1.13 -1.26 -4.57 117.38 121.19 1xqq n GLN 62 Ca 0.04 -1.41 -0.40 0.00 -1.94 0.00 0.00 57.00 53.29 1xqq n GLN 62 Cb 0.48 0.03 -0.05 0.00 0.11 0.00 0.00 30.24 30.81 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1xqq s LYS 63 N -3.05 4.54 0.00 -1.09 -2.85 -1.26 -3.16 119.74 112.87 1xqq s LYS 63 Ca 0.20 1.14 0.00 0.00 -1.00 0.00 0.00 55.97 56.31 1xqq s LYS 63 Cb -0.02 -3.34 0.00 0.00 -2.06 0.00 0.00 37.83 32.42 1xqq s LYS 63 CO 0.13 0.35 0.00 0.39 0.10 0.00 0.00 175.35 176.32 1xqq n GLU 64 N 2.46 0.00 -2.25 1.78 1.02 0.17 -4.97 120.64 118.85 1xqq n GLU 64 Ca -0.03 0.43 -0.42 0.00 -0.02 0.00 0.00 57.16 57.13 1xqq n GLU 64 Cb 0.50 -3.69 -0.03 0.00 -0.02 0.00 0.00 31.44 28.20 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 -2.93 6.92 -0.22 1.62 0.01 -1.19 -4.78 113.70 113.13 1xqq s SER 65 Ca 0.00 2.28 -0.08 0.00 1.31 0.00 0.00 55.95 59.46 1xqq s SER 65 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1xqq s SER 65 CO 0.00 -0.55 0.09 -0.89 0.41 0.00 0.00 173.24 172.29 1xqq s THR 66 N 0.68 4.78 0.32 1.44 2.01 -1.26 -0.80 115.64 122.82 1xqq s THR 66 Ca 0.60 -0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.65 1xqq s THR 66 Cb -0.35 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1xqq s THR 66 CO 0.33 0.39 0.18 -0.76 -0.69 0.00 0.00 174.62 174.08 1xqq s LEU 67 N 0.91 3.41 -0.04 4.42 1.02 0.11 -4.85 118.68 123.65 1xqq s LEU 67 Ca 0.05 -0.63 0.06 0.00 0.02 0.00 0.00 54.13 53.63 1xqq s LEU 67 Cb -0.14 -1.94 -0.02 0.00 0.02 0.00 0.00 46.19 44.11 1xqq s LEU 67 CO 0.03 -0.27 -0.20 -2.28 0.02 0.00 0.00 176.35 173.65 1xqq s HIS 68 N -2.35 2.52 -0.43 0.29 2.46 0.13 -0.46 115.29 117.44 1xqq s HIS 68 Ca 0.38 -0.32 -0.10 0.00 0.47 0.00 0.00 55.06 55.49 1xqq s HIS 68 Cb -0.04 -1.57 0.08 0.00 -0.13 0.00 0.00 32.58 30.92 1xqq s HIS 68 CO 0.24 0.06 0.28 -1.17 -2.47 0.00 0.00 174.74 171.68 1xqq s LEU 69 N -0.63 5.28 -0.06 8.88 2.96 -0.83 -1.09 118.68 133.20 1xqq s LEU 69 Ca 0.10 -1.56 -0.10 0.00 -0.22 0.00 0.00 54.13 52.34 1xqq s LEU 69 Cb -0.11 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 1xqq s LEU 69 CO 0.00 -0.57 0.26 -0.69 -1.32 0.00 0.00 176.35 174.03 1xqq s VAL 70 N 1.43 5.30 0.08 1.68 1.01 0.08 -4.25 120.40 125.73 1xqq s VAL 70 Ca 0.04 0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1xqq s VAL 70 Cb -0.24 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1xqq s VAL 70 CO 0.02 0.58 0.18 -0.76 0.00 0.00 0.00 175.10 175.12 1xqq s LEU 71 N -1.11 4.18 -0.10 3.92 1.43 -1.26 -1.49 118.68 124.24 1xqq s LEU 71 Ca 0.20 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1xqq s LEU 71 Cb -0.14 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 1xqq s LEU 71 CO 0.09 0.15 -0.13 -0.60 0.23 0.00 0.00 176.35 176.09 1xqq s ARG 72 N -2.61 3.02 0.00 1.70 3.52 -1.07 -4.98 118.95 118.53 1xqq s ARG 72 Ca 0.33 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 1xqq s ARG 72 Cb -0.12 -2.54 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 1xqq s ARG 72 CO 0.26 0.40 0.00 -0.11 -0.81 0.00 0.00 175.30 175.04 1xqq n LEU 73 N 2.98 0.95 -3.64 -0.88 7.94 -1.26 -4.97 117.00 118.12 1xqq n LEU 73 Ca -0.18 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.66 1xqq n LEU 73 Cb 0.52 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.41 1xqq n LEU 73 CO 0.28 0.00 0.47 -0.60 -1.11 0.00 0.00 177.39 176.44 1xqq s ARG 74 N 0.00 0.60 0.00 1.96 6.06 -1.26 -5.13 118.95 121.18 1xqq s ARG 74 Ca 0.00 1.01 0.00 0.00 -2.50 0.00 0.00 55.73 54.24 1xqq s ARG 74 Cb 0.00 0.13 0.00 0.00 0.06 0.00 0.00 34.95 35.14 1xqq s ARG 74 CO 0.00 -0.12 0.00 0.41 -2.50 0.00 0.00 175.30 173.09 1xqq n GLY 75 N 3.98 0.42 0.00 8.12 0.00 -1.26 -5.34 105.19 111.11 1xqq n GLY 75 Ca -0.19 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93