#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 3.17 0.18 3.17 -0.21 -1.26 -0.99 119.66 123.72 1xqq s GLN 2 Ca 0.00 -0.43 0.09 0.00 0.02 0.00 0.00 55.36 55.05 1xqq s GLN 2 Cb 0.00 -2.93 -0.04 0.00 1.00 0.00 0.00 33.01 31.04 1xqq s GLN 2 CO 0.00 0.66 -0.20 0.96 -2.12 0.00 0.00 175.29 174.59 1xqq s ILE 3 N -1.21 2.00 -0.08 1.08 -4.36 0.90 -0.79 121.20 118.74 1xqq s ILE 3 Ca 0.23 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1xqq s ILE 3 Cb -0.12 -1.94 -0.03 0.00 1.25 0.00 0.00 42.46 41.62 1xqq s ILE 3 CO 0.14 -0.26 -0.10 -0.36 0.24 0.00 0.00 174.94 174.60 1xqq s PHE 4 N -1.96 2.85 -0.11 1.37 0.08 -0.22 -1.60 117.98 118.39 1xqq s PHE 4 Ca 0.18 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.06 1xqq s PHE 4 Cb -0.06 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.68 1xqq s PHE 4 CO 0.08 0.16 -0.12 0.08 -0.10 0.00 0.00 175.22 175.32 1xqq s VAL 5 N -0.49 1.28 -0.23 -0.44 1.01 -0.16 -0.28 120.40 121.09 1xqq s VAL 5 Ca 0.07 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 1xqq s VAL 5 Cb -0.12 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1xqq s VAL 5 CO 0.02 0.40 0.15 -0.75 0.00 0.00 0.00 175.10 174.93 1xqq s LYS 6 N 1.30 4.08 0.81 2.72 2.47 0.14 -0.79 119.74 130.47 1xqq s LYS 6 Ca -0.01 -0.27 -0.10 0.00 -1.56 0.00 0.00 55.97 54.03 1xqq s LYS 6 Cb -0.14 -3.51 0.12 0.00 -1.46 0.00 0.00 37.83 32.84 1xqq s LYS 6 CO -0.05 0.10 1.15 0.95 0.16 0.00 0.00 175.35 177.66 1xqq s THR 7 N 0.95 2.11 0.07 3.43 -4.23 -0.37 -0.41 115.64 117.19 1xqq s THR 7 Ca 0.07 -0.17 -0.16 0.00 -1.18 0.00 0.00 61.69 60.25 1xqq s THR 7 Cb -0.13 -2.93 -0.14 0.00 1.34 0.00 0.00 72.50 70.64 1xqq s THR 7 CO 0.03 0.00 1.31 0.25 -0.54 0.00 0.00 174.62 175.68 1xqq h LEU 8 N -1.03 0.68 -1.68 4.79 5.85 -1.91 -3.00 115.31 119.02 1xqq h LEU 8 Ca -0.44 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 57.69 1xqq h LEU 8 Cb 1.28 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1xqq h LEU 8 CO 0.51 1.13 -0.12 0.71 -0.34 0.00 0.00 178.44 180.33 1xqq h THR 9 N 0.27 0.39 0.00 1.05 1.35 -1.97 -3.47 112.91 110.53 1xqq h THR 9 Ca -0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1xqq h THR 9 Cb 1.03 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1xqq h THR 9 CO 0.09 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 1xqq n GLY 10 N -0.31 1.50 3.83 5.82 0.00 -1.13 -5.11 105.19 109.79 1xqq n GLY 10 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.07 4.13 -0.39 1.61 2.20 -1.26 -4.70 119.74 121.26 1xqq s LYS 11 Ca 0.00 0.74 -0.06 0.00 -0.36 0.00 0.00 55.97 56.29 1xqq s LYS 11 Cb 0.00 -2.75 0.08 0.00 -1.51 0.00 0.00 37.83 33.65 1xqq s LYS 11 CO 0.00 0.33 0.19 0.99 -0.36 0.00 0.00 175.35 176.50 1xqq s THR 12 N -1.66 3.71 -0.06 3.43 2.01 -1.26 -1.24 115.64 120.58 1xqq s THR 12 Ca 0.46 -1.57 -0.26 0.00 0.31 0.00 0.00 61.69 60.62 1xqq s THR 12 Cb -0.14 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 1xqq s THR 12 CO 0.20 -0.47 0.81 -0.63 -0.69 0.00 0.00 174.62 173.84 1xqq s ILE 13 N 1.31 4.97 -0.29 1.82 1.01 0.03 -4.85 121.20 125.19 1xqq s ILE 13 Ca 0.03 1.68 -0.08 0.00 0.00 0.00 0.00 60.65 62.28 1xqq s ILE 13 Cb -0.22 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 1xqq s ILE 13 CO -0.00 0.19 0.10 -0.89 0.00 0.00 0.00 174.94 174.34 1xqq s THR 14 N 1.03 4.30 -0.09 2.92 2.01 -1.26 -0.99 115.64 123.56 1xqq s THR 14 Ca 0.43 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 62.02 1xqq s THR 14 Cb -0.19 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 1xqq s THR 14 CO 0.21 0.15 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.30 1xqq s LEU 15 N 1.58 2.22 -0.24 4.42 2.01 -0.63 -4.98 118.68 123.05 1xqq s LEU 15 Ca 0.04 -0.50 -0.16 0.00 0.01 0.00 0.00 54.13 53.53 1xqq s LEU 15 Cb -0.17 -1.44 -0.04 0.00 0.01 0.00 0.00 46.19 44.56 1xqq s LEU 15 CO 0.04 0.18 0.41 -0.70 1.01 0.00 0.00 176.35 177.30 1xqq s GLU 16 N 0.20 4.09 0.32 1.70 2.12 -1.26 -0.07 118.70 125.80 1xqq s GLU 16 Ca -0.13 0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.39 1xqq s GLU 16 Cb -0.17 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 1xqq s GLU 16 CO 0.07 -0.20 0.14 0.14 -0.54 0.00 0.00 175.26 174.88 1xqq s VAL 17 N 1.82 0.45 0.23 3.70 -7.23 -0.16 -4.97 120.40 114.24 1xqq s VAL 17 Ca 0.18 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1xqq s VAL 17 Cb -0.15 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.30 1xqq s VAL 17 CO 0.09 0.00 0.28 -0.62 -0.31 0.00 0.00 175.10 174.54 1xqq n GLU 18 N -0.64 0.94 0.12 4.82 1.02 -1.26 -1.79 120.64 123.85 1xqq n GLU 18 Ca -0.00 -1.32 -0.02 0.00 -0.02 0.00 0.00 57.16 55.80 1xqq n GLU 18 Cb 0.65 -0.02 0.11 0.00 -0.02 0.00 0.00 31.44 32.16 1xqq n GLU 18 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1xqq h PRO 19 N 0.00 0.00 0.00 3.49 0.13 -1.96 -3.35 132.00 130.30 1xqq h PRO 19 Ca -0.12 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.94 1xqq h PRO 19 Cb 0.51 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1xqq h PRO 19 CO 0.18 0.68 -0.35 0.66 -0.23 0.00 0.00 178.00 178.94 1xqq h SER 20 N 0.00 0.00 -4.25 1.44 4.64 -1.96 0.18 113.55 113.60 1xqq h SER 20 Ca -0.01 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.81 1xqq h SER 20 Cb 1.25 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.46 1xqq h SER 20 CO 0.09 0.35 0.31 -1.81 -0.87 0.00 0.00 176.83 174.91 1xqq s ASP 21 N -6.73 4.39 0.50 4.97 1.01 -1.26 -4.72 116.67 114.84 1xqq s ASP 21 Ca -0.02 1.59 0.08 0.00 0.71 0.00 0.00 52.55 54.90 1xqq s ASP 21 Cb 0.13 -2.32 0.04 0.00 1.01 0.00 0.00 42.92 41.78 1xqq s ASP 21 CO 0.70 -2.07 0.54 0.42 0.21 0.00 0.00 175.17 174.97 1xqq s THR 22 N -2.99 2.24 0.40 -1.27 -4.23 -1.26 -1.68 115.64 106.85 1xqq s THR 22 Ca 0.61 -1.23 0.25 0.00 -1.18 0.00 0.00 61.69 60.14 1xqq s THR 22 Cb -0.16 -2.48 0.27 0.00 1.34 0.00 0.00 72.50 71.47 1xqq s THR 22 CO 0.56 0.00 2.04 0.40 -0.54 0.00 0.00 174.62 177.08 1xqq h ILE 23 N 0.62 0.64 -0.53 2.99 1.08 -1.13 -2.78 117.51 118.40 1xqq h ILE 23 Ca -0.36 -0.60 -0.07 0.00 -0.39 0.00 0.00 64.86 63.43 1xqq h ILE 23 Cb 1.29 1.38 -0.02 0.00 -3.07 0.00 0.00 36.82 36.39 1xqq h ILE 23 CO 0.50 0.14 0.03 -0.08 -0.69 0.00 0.00 178.15 178.05 1xqq h GLU 24 N 0.00 0.88 -0.55 2.37 4.81 -1.79 -2.67 114.58 117.63 1xqq h GLU 24 Ca -0.00 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 1xqq h GLU 24 Cb 0.37 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1xqq h GLU 24 CO 0.02 0.85 0.24 -0.91 -0.73 0.00 0.00 179.01 178.48 1xqq h ASN 25 N 0.82 0.74 -0.93 1.04 4.21 -1.82 -2.10 115.58 117.53 1xqq h ASN 25 Ca 0.16 -0.15 0.13 0.00 1.21 0.00 0.00 56.30 57.65 1xqq h ASN 25 Cb 0.44 -0.19 -0.07 0.00 -1.12 0.00 0.00 38.32 37.38 1xqq h ASN 25 CO 0.02 0.68 0.59 0.58 -1.29 0.00 0.00 177.43 178.01 1xqq h VAL 26 N 0.74 0.88 0.00 2.81 2.07 -1.52 -1.57 116.25 119.65 1xqq h VAL 26 Ca 0.19 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 1xqq h VAL 26 Cb 0.16 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1xqq h VAL 26 CO -0.02 0.15 -0.52 0.11 0.02 0.00 0.00 177.57 177.31 1xqq h LYS 27 N 0.81 0.00 -0.25 1.57 1.57 -1.12 -2.44 116.57 116.71 1xqq h LYS 27 Ca 0.46 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.09 1xqq h LYS 27 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1xqq h LYS 27 CO -0.22 0.52 -0.46 0.00 -0.57 0.00 0.00 179.45 178.72 1xqq h ALA 28 N 1.48 0.71 -0.16 3.86 0.00 -0.62 -3.09 119.26 121.44 1xqq h ALA 28 Ca -0.01 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 1xqq h ALA 28 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xqq h ALA 28 CO 0.07 0.67 -0.44 0.87 0.00 0.00 0.00 179.25 180.42 1xqq h LYS 29 N 0.53 0.58 -1.00 0.00 1.57 -1.38 -2.74 116.57 114.13 1xqq h LYS 29 Ca 0.03 -0.41 0.11 0.00 -1.87 0.00 0.00 60.65 58.51 1xqq h LYS 29 Cb 1.01 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.30 1xqq h LYS 29 CO 0.09 1.03 0.64 0.82 -0.57 0.00 0.00 179.45 181.46 1xqq h ILE 30 N 0.22 0.96 -0.46 1.86 2.04 -1.53 -1.27 117.51 119.35 1xqq h ILE 30 Ca -0.01 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1xqq h ILE 30 Cb 1.06 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1xqq h ILE 30 CO 0.09 0.19 0.18 -0.61 0.00 0.00 0.00 178.15 178.00 1xqq h GLN 31 N 1.04 0.69 0.09 2.37 4.15 -1.44 -0.86 115.11 121.15 1xqq h GLN 31 Ca 0.48 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.77 1xqq h GLN 31 Cb 0.41 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1xqq h GLN 31 CO -0.24 0.63 -0.04 0.22 -1.93 0.00 0.00 178.83 177.47 1xqq h ASP 32 N 0.59 -0.10 0.41 -0.69 3.58 -1.45 -2.41 116.42 116.36 1xqq h ASP 32 Ca 0.15 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1xqq h ASP 32 Cb 0.21 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1xqq h ASP 32 CO -0.01 0.08 -0.20 0.50 -2.88 0.00 0.00 179.24 176.73 1xqq h LYS 33 N -0.27 -0.53 0.00 0.28 3.64 -1.18 -3.39 116.57 115.13 1xqq h LYS 33 Ca -0.01 0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1xqq h LYS 33 Cb 0.23 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1xqq h LYS 33 CO 0.02 -0.22 -1.98 0.39 -2.27 0.00 0.00 179.45 175.39 1xqq n GLU 34 N -5.19 0.66 -0.63 1.90 -0.58 -0.35 -5.01 120.64 111.45 1xqq n GLU 34 Ca -0.10 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 1xqq n GLU 34 Cb 0.29 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 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 1.38 0.89 3.53 0.62 0.00 -0.91 -5.02 105.19 105.68 1xqq n GLY 35 Ca -0.11 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 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 4.87 0.59 -0.61 1.01 -1.24 -4.99 121.20 118.83 1xqq s ILE 36 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.48 1xqq s ILE 36 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1xqq s ILE 36 CO 0.00 0.29 1.18 -2.84 0.00 0.00 0.00 174.94 173.57 1xqq s PRO 37 N 1.68 3.04 0.00 2.79 0.02 -1.26 -3.52 135.00 137.76 1xqq s PRO 37 Ca 0.07 1.75 0.28 0.00 0.02 0.00 0.00 61.00 63.11 1xqq s PRO 37 Cb -0.16 -1.95 1.11 0.00 0.02 0.00 0.00 34.50 33.53 1xqq s PRO 37 CO 0.08 -1.13 1.79 -0.35 -0.33 0.00 0.00 177.00 177.06 1xqq n PRO 38 N -1.59 0.73 -0.01 5.54 -0.04 -1.26 -2.47 135.00 135.91 1xqq n PRO 38 Ca 0.13 -0.30 -0.09 0.00 -0.04 0.00 0.00 63.50 63.20 1xqq n PRO 38 Cb 0.50 -1.49 0.07 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.74 0.64 0.58 3.54 2.03 -1.96 -3.20 116.42 118.79 1xqq h ASP 39 Ca 0.00 -0.32 -0.09 0.00 -0.73 0.00 0.00 57.03 55.89 1xqq h ASP 39 Cb 0.39 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.70 1xqq h ASP 39 CO 0.00 1.02 -0.42 1.56 -1.03 0.00 0.00 179.24 180.36 1xqq h GLN 40 N 0.47 0.00 -6.24 4.15 4.20 -1.86 -3.44 115.11 112.38 1xqq h GLN 40 Ca 0.02 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.19 1xqq h GLN 40 Cb 1.02 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 1xqq h GLN 40 CO 0.09 0.42 0.22 -0.65 -0.67 0.00 0.00 178.83 178.25 1xqq s GLN 41 N -3.85 4.51 -0.05 1.46 -0.21 -1.19 -3.91 119.66 116.41 1xqq s GLN 41 Ca -0.02 1.15 0.06 0.00 0.02 0.00 0.00 55.36 56.57 1xqq s GLN 41 Cb 0.13 -3.44 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 1xqq s GLN 41 CO 0.71 0.05 -0.22 0.50 -2.12 0.00 0.00 175.29 174.21 1xqq s ARG 42 N 0.74 2.24 -0.07 2.91 3.52 -0.38 -4.98 118.95 122.93 1xqq s ARG 42 Ca 0.44 -0.80 0.02 0.00 -0.13 0.00 0.00 55.73 55.26 1xqq s ARG 42 Cb -0.20 -1.93 -0.02 0.00 -1.56 0.00 0.00 34.95 31.24 1xqq s ARG 42 CO 0.23 0.35 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.43 1xqq s LEU 43 N -0.14 2.78 0.37 -0.88 1.43 -1.26 -0.17 118.68 120.81 1xqq s LEU 43 Ca -0.02 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 52.93 1xqq s LEU 43 Cb -0.13 -1.59 -0.07 0.00 0.03 0.00 0.00 46.19 44.44 1xqq s LEU 43 CO 0.03 0.30 0.02 0.27 0.23 0.00 0.00 176.35 177.20 1xqq s ILE 44 N -0.45 1.68 0.00 -0.59 -4.36 -0.24 -1.43 121.20 115.82 1xqq s ILE 44 Ca 0.06 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1xqq s ILE 44 Cb -0.12 -2.87 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1xqq s ILE 44 CO 0.02 -0.03 0.00 0.33 0.24 0.00 0.00 174.94 175.50 1xqq n PHE 45 N -0.83 0.00 0.14 1.37 7.35 -1.08 -2.49 117.46 121.92 1xqq n PHE 45 Ca -0.04 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.69 1xqq n PHE 45 Cb 0.66 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.43 1xqq n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xqq n ALA 46 N -3.00 2.61 0.00 3.13 0.00 -1.26 -3.93 120.51 118.05 1xqq n ALA 46 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1xqq n ALA 46 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 1.72 0.07 3.73 0.00 0.00 -1.26 -5.12 105.19 104.33 1xqq n GLY 47 Ca -0.01 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.83 4.63 0.53 1.61 1.02 -1.26 -5.03 119.74 120.40 1xqq s LYS 48 Ca 0.00 1.63 -0.18 0.00 0.02 0.00 0.00 55.97 57.44 1xqq s LYS 48 Cb 0.00 -3.31 -0.07 0.00 -0.52 0.00 0.00 37.83 33.93 1xqq s LYS 48 CO 0.00 0.11 1.03 -0.65 -0.92 0.00 0.00 175.35 174.92 1xqq s GLN 49 N -0.20 3.67 -0.21 1.68 -0.21 -1.26 -2.63 119.66 120.50 1xqq s GLN 49 Ca 0.49 1.22 0.00 0.00 0.02 0.00 0.00 55.36 57.09 1xqq s GLN 49 Cb -0.27 -2.08 0.02 0.00 1.00 0.00 0.00 33.01 31.68 1xqq s GLN 49 CO 0.33 -0.52 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.32 1xqq s LEU 50 N -3.94 2.59 0.12 2.90 1.43 -0.51 -4.92 118.68 116.35 1xqq s LEU 50 Ca 0.64 -0.77 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1xqq s LEU 50 Cb -0.15 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1xqq s LEU 50 CO 0.28 -0.05 0.03 -1.61 0.23 0.00 0.00 176.35 175.23 1xqq s GLU 51 N 1.29 2.62 0.00 1.70 2.02 -1.26 -4.46 118.70 120.61 1xqq s GLU 51 Ca 0.02 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.14 1xqq s GLU 51 Cb -0.15 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.53 1xqq s GLU 51 CO -0.09 0.52 0.83 -0.25 0.02 0.00 0.00 175.26 176.29 1xqq n ASP 52 N 0.28 0.00 -1.63 -0.19 9.92 -1.26 -3.56 116.55 120.11 1xqq n ASP 52 Ca -0.10 0.83 -0.02 0.00 -0.53 0.00 0.00 54.79 54.97 1xqq n ASP 52 Cb 0.53 -0.41 0.24 0.00 -0.64 0.00 0.00 41.12 40.84 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xqq n GLY 53 N -1.00 2.96 3.84 0.44 0.00 -1.26 -2.27 105.19 107.91 1xqq n GLY 53 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.31 2.89 0.60 1.61 0.52 -1.23 -4.97 118.95 116.05 1xqq s ARG 54 Ca 0.40 -1.11 -0.01 0.00 -0.52 0.00 0.00 55.73 54.49 1xqq s ARG 54 Cb 0.32 -2.55 0.04 0.00 0.52 0.00 0.00 34.95 33.28 1xqq s ARG 54 CO 0.10 0.32 0.85 0.95 0.02 0.00 0.00 175.30 177.54 1xqq s THR 55 N -2.17 2.54 0.19 0.02 -4.23 -1.26 -2.48 115.64 108.25 1xqq s THR 55 Ca 0.35 -0.55 -0.07 0.00 -1.18 0.00 0.00 61.69 60.24 1xqq s THR 55 Cb -0.07 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.81 1xqq s THR 55 CO 0.25 0.00 1.60 -0.07 -0.54 0.00 0.00 174.62 175.87 1xqq h LEU 56 N -0.13 0.92 -1.08 4.79 3.38 -1.01 -1.47 115.31 120.70 1xqq h LEU 56 Ca -0.43 -0.33 0.27 0.00 0.09 0.00 0.00 57.88 57.49 1xqq h LEU 56 Cb 1.30 -0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 1xqq h LEU 56 CO 0.54 1.08 0.61 -1.28 0.09 0.00 0.00 178.44 179.48 1xqq h SER 57 N 0.79 0.59 0.70 -0.43 0.87 -1.20 0.22 113.55 115.10 1xqq h SER 57 Ca 0.11 0.14 -0.26 0.00 -1.23 0.00 0.00 61.79 60.55 1xqq h SER 57 Cb 0.73 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1xqq h SER 57 CO 0.06 0.04 -1.30 -0.78 -0.53 0.00 0.00 176.83 174.32 1xqq h ASP 58 N 0.48 0.19 0.44 6.23 3.58 -1.57 -3.00 116.42 122.76 1xqq h ASP 58 Ca 0.66 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.87 1xqq h ASP 58 Cb 1.42 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1xqq h ASP 58 CO -0.47 1.19 -0.34 -1.22 -2.88 0.00 0.00 179.24 175.53 1xqq n TYR 59 N -3.37 0.00 -1.86 0.28 4.01 -0.78 -4.96 117.16 110.48 1xqq n TYR 59 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1xqq n TYR 59 Cb 1.00 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.81 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 -1.16 -0.97 -4.72 7.72 4.13 0.59 -5.00 115.26 115.84 1xqq n ASN 60 Ca 0.09 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.93 1xqq n ASN 60 Cb 0.33 -0.47 -0.03 0.00 -1.54 0.00 0.00 39.78 38.07 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xqq s ILE 61 N -2.00 4.13 0.50 2.41 1.01 -0.14 -4.97 121.20 122.15 1xqq s ILE 61 Ca 0.00 1.65 0.04 0.00 0.00 0.00 0.00 60.65 62.34 1xqq s ILE 61 Cb 0.00 -4.06 0.09 0.00 0.01 0.00 0.00 42.46 38.51 1xqq s ILE 61 CO 0.00 0.20 0.69 0.00 0.00 0.00 0.00 174.94 175.83 1xqq n GLN 62 N 3.25 0.39 -2.20 2.79 1.13 -1.26 -4.52 117.38 116.96 1xqq n GLN 62 Ca 0.06 -2.27 -0.42 0.00 -1.94 0.00 0.00 57.00 52.42 1xqq n GLN 62 Cb 0.47 -0.34 -0.03 0.00 0.11 0.00 0.00 30.24 30.45 1xqq n GLN 62 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1xqq s LYS 63 N -4.25 4.34 -1.12 -1.09 2.20 -1.26 -3.25 119.74 115.31 1xqq s LYS 63 Ca 0.49 2.05 -0.15 0.00 -0.36 0.00 0.00 55.97 58.00 1xqq s LYS 63 Cb -0.03 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1xqq s LYS 63 CO 0.32 -0.38 0.83 0.39 -0.36 0.00 0.00 175.35 176.15 1xqq n GLU 64 N 3.62 -1.76 -3.85 4.03 1.02 0.03 -4.97 120.64 118.76 1xqq n GLU 64 Ca 0.10 0.59 -0.33 0.00 -0.02 0.00 0.00 57.16 57.51 1xqq n GLU 64 Cb 0.43 -4.72 -0.05 0.00 -0.02 0.00 0.00 31.44 27.08 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 -3.50 6.41 -0.36 1.62 0.15 -1.20 -4.84 113.70 111.98 1xqq s SER 65 Ca 0.44 0.41 -0.21 0.00 0.70 0.00 0.00 55.95 57.29 1xqq s SER 65 Cb -0.12 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1xqq s SER 65 CO 0.82 0.21 0.65 -0.89 1.20 0.00 0.00 173.24 175.22 1xqq s THR 66 N -1.42 4.88 0.15 6.45 2.01 -1.26 -1.06 115.64 125.38 1xqq s THR 66 Ca 0.31 0.59 0.03 0.00 0.31 0.00 0.00 61.69 62.93 1xqq s THR 66 Cb -0.13 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1xqq s THR 66 CO 0.22 -0.33 0.26 -0.76 -0.69 0.00 0.00 174.62 173.31 1xqq s LEU 67 N 2.74 4.27 -0.14 4.42 1.43 0.61 -4.88 118.68 127.13 1xqq s LEU 67 Ca 0.25 0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.45 1xqq s LEU 67 Cb -0.14 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.20 1xqq s LEU 67 CO 0.15 0.06 -0.03 -1.00 0.23 0.00 0.00 176.35 175.76 1xqq s HIS 68 N -1.73 3.04 -0.20 0.29 3.76 -1.04 0.27 115.29 119.68 1xqq s HIS 68 Ca 0.34 -0.19 -0.09 0.00 -0.15 0.00 0.00 55.06 54.98 1xqq s HIS 68 Cb -0.11 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.62 1xqq s HIS 68 CO 0.28 0.07 0.10 -1.17 -0.85 0.00 0.00 174.74 173.17 1xqq s LEU 69 N 0.09 3.97 -0.36 0.89 2.96 0.46 -1.08 118.68 125.61 1xqq s LEU 69 Ca -0.00 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 1xqq s LEU 69 Cb -0.13 -2.03 0.10 0.00 0.50 0.00 0.00 46.19 44.63 1xqq s LEU 69 CO 0.03 0.14 0.09 -0.69 -1.32 0.00 0.00 176.35 174.60 1xqq s VAL 70 N 0.58 2.00 0.00 1.68 1.01 0.76 -4.41 120.40 122.01 1xqq s VAL 70 Ca 0.06 -2.28 0.00 0.00 0.00 0.00 0.00 61.98 59.76 1xqq s VAL 70 Cb -0.12 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1xqq s VAL 70 CO 0.01 -0.65 0.00 0.18 0.00 0.00 0.00 175.10 174.64 1xqq n LEU 71 N 4.21 0.00 -4.30 3.92 4.77 -1.26 -1.25 117.00 123.09 1xqq n LEU 71 Ca 0.03 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.56 1xqq n LEU 71 Cb 0.41 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1xqq n LEU 71 CO 0.21 0.00 0.09 -0.13 -1.33 0.00 0.00 177.39 176.23 1xqq s ARG 72 N 0.36 2.88 -0.11 3.23 0.52 -1.25 -4.88 118.95 119.70 1xqq s ARG 72 Ca 0.00 -1.66 -0.12 0.00 -0.52 0.00 0.00 55.73 53.43 1xqq s ARG 72 Cb 0.00 -4.19 -0.04 0.00 0.52 0.00 0.00 34.95 31.24 1xqq s ARG 72 CO 0.00 -1.25 -0.23 -0.11 0.02 0.00 0.00 175.30 173.73 1xqq n LEU 73 N 5.17 1.40 0.00 2.53 7.94 -1.26 -5.05 117.00 127.73 1xqq n LEU 73 Ca -0.13 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 1xqq n LEU 73 Cb 0.41 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.73 1xqq n LEU 73 CO 0.51 -0.38 0.00 0.54 -1.11 0.00 0.00 177.39 176.95 1xqq n ARG 74 N -3.90 0.00 -3.95 1.96 3.00 -1.26 -5.13 116.66 107.37 1xqq n ARG 74 Ca -0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.65 1xqq n ARG 74 Cb 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.70 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 -1.30 0.19 0.00 -0.13 0.00 -1.26 -5.26 107.32 99.56 1xqq s GLY 75 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1xqq s GLY 75 CO 0.00 -0.56 0.00 0.61 0.00 0.00 0.00 173.10 173.15