#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 3.52 0.13 3.17 -2.07 -1.26 -0.44 119.66 122.71 1xqq s GLN 2 Ca 0.00 -0.09 0.07 0.00 -1.82 0.00 0.00 55.36 53.52 1xqq s GLN 2 Cb 0.00 -3.15 -0.04 0.00 -1.09 0.00 0.00 33.01 28.73 1xqq s GLN 2 CO 0.00 0.72 -0.16 0.96 -1.32 0.00 0.00 175.29 175.50 1xqq s ILE 3 N -1.14 1.46 -0.47 3.63 -4.36 0.19 0.96 121.20 121.47 1xqq s ILE 3 Ca 0.21 -1.71 -0.15 0.00 -0.26 0.00 0.00 60.65 58.73 1xqq s ILE 3 Cb -0.13 -1.57 0.07 0.00 1.25 0.00 0.00 42.46 42.08 1xqq s ILE 3 CO 0.10 -0.34 0.39 -0.36 0.24 0.00 0.00 174.94 174.97 1xqq s PHE 4 N -1.95 3.25 -0.30 1.37 0.08 0.17 0.30 117.98 120.90 1xqq s PHE 4 Ca 0.09 -0.94 -0.22 0.00 0.12 0.00 0.00 56.93 55.99 1xqq s PHE 4 Cb -0.06 -3.15 -0.01 0.00 -0.57 0.00 0.00 43.02 39.23 1xqq s PHE 4 CO 0.04 -0.79 0.71 0.08 -0.10 0.00 0.00 175.22 175.15 1xqq s VAL 5 N 1.64 4.87 -0.14 -0.44 1.01 0.12 -1.37 120.40 126.08 1xqq s VAL 5 Ca 0.04 1.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.90 1xqq s VAL 5 Cb -0.24 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1xqq s VAL 5 CO 0.07 -0.17 0.42 -0.75 0.00 0.00 0.00 175.10 174.66 1xqq s LYS 6 N 2.76 4.30 0.47 2.72 2.20 -0.42 -0.44 119.74 131.32 1xqq s LYS 6 Ca 0.29 0.33 0.06 0.00 -0.36 0.00 0.00 55.97 56.29 1xqq s LYS 6 Cb -0.15 -3.45 0.02 0.00 -1.51 0.00 0.00 37.83 32.75 1xqq s LYS 6 CO 0.12 0.15 0.64 0.95 -0.36 0.00 0.00 175.35 176.85 1xqq s THR 7 N 0.69 2.85 0.11 3.43 -4.23 -1.08 0.02 115.64 117.44 1xqq s THR 7 Ca 0.23 -0.90 -0.21 0.00 -1.18 0.00 0.00 61.69 59.63 1xqq s THR 7 Cb -0.14 -2.95 -0.08 0.00 1.34 0.00 0.00 72.50 70.66 1xqq s THR 7 CO 0.08 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.14 1xqq h LEU 8 N 0.44 -0.06 0.00 4.79 5.85 -1.83 -3.39 115.31 121.11 1xqq h LEU 8 Ca -0.40 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1xqq h LEU 8 Cb 1.28 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1xqq h LEU 8 CO 0.47 -0.01 0.00 0.35 -0.34 0.00 0.00 178.44 178.91 1xqq n THR 9 N -5.12 0.00 0.00 1.05 -2.24 -1.26 -4.98 114.28 101.72 1xqq n THR 9 Ca -0.04 0.60 0.00 0.00 -2.27 0.00 0.00 64.05 62.34 1xqq n THR 9 Cb 0.08 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 1xqq n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xqq n GLY 10 N 1.38 0.00 3.87 3.38 0.00 -1.26 -5.14 105.19 107.41 1xqq n GLY 10 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.82 -0.28 1.61 1.02 -1.26 -4.96 119.74 119.68 1xqq s LYS 11 Ca 0.00 0.60 -0.04 0.00 0.02 0.00 0.00 55.97 56.55 1xqq s LYS 11 Cb 0.00 -2.31 0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1xqq s LYS 11 CO 0.00 -0.12 0.02 0.99 -0.92 0.00 0.00 175.35 175.32 1xqq s THR 12 N -2.47 3.36 -0.20 2.17 2.01 -1.26 -2.62 115.64 116.64 1xqq s THR 12 Ca 0.53 -0.99 -0.09 0.00 0.31 0.00 0.00 61.69 61.46 1xqq s THR 12 Cb -0.10 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 1xqq s THR 12 CO 0.32 0.06 0.09 -0.63 -0.69 0.00 0.00 174.62 173.78 1xqq s ILE 13 N 1.38 5.03 -0.29 1.82 1.01 0.41 -4.94 121.20 125.62 1xqq s ILE 13 Ca -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 1xqq s ILE 13 Cb -0.18 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1xqq s ILE 13 CO -0.01 0.44 0.09 -0.89 0.00 0.00 0.00 174.94 174.57 1xqq s THR 14 N 0.47 4.08 -0.15 2.92 2.01 -1.26 0.12 115.64 123.84 1xqq s THR 14 Ca 0.05 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1xqq s THR 14 Cb -0.12 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.31 1xqq s THR 14 CO -0.00 0.10 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.62 1xqq s LEU 15 N 1.53 2.24 -0.28 4.42 2.96 0.15 -4.90 118.68 124.79 1xqq s LEU 15 Ca 0.03 -0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 53.23 1xqq s LEU 15 Cb -0.17 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1xqq s LEU 15 CO 0.03 0.08 0.39 -1.61 -1.32 0.00 0.00 176.35 173.92 1xqq s GLU 16 N 0.82 3.98 0.05 1.98 2.02 -1.26 -0.63 118.70 125.65 1xqq s GLU 16 Ca -0.06 0.04 -0.02 0.00 0.02 0.00 0.00 54.97 54.95 1xqq s GLU 16 Cb -0.15 -3.67 -0.03 0.00 0.10 0.00 0.00 34.13 30.37 1xqq s GLU 16 CO -0.01 -0.31 -0.01 0.14 0.02 0.00 0.00 175.26 175.08 1xqq s VAL 17 N 2.11 0.19 0.35 2.63 -7.23 0.42 -4.97 120.40 113.90 1xqq s VAL 17 Ca 0.16 -1.59 -0.23 0.00 -1.81 0.00 0.00 61.98 58.51 1xqq s VAL 17 Cb -0.16 -1.28 -0.10 0.00 0.56 0.00 0.00 36.38 35.40 1xqq s VAL 17 CO 0.10 -0.88 0.91 -1.61 -0.31 0.00 0.00 175.10 173.31 1xqq s GLU 18 N -3.47 4.37 0.00 4.82 0.41 -1.26 0.41 118.70 123.98 1xqq s GLU 18 Ca 0.03 1.15 0.30 0.00 -0.41 0.00 0.00 54.97 56.04 1xqq s GLU 18 Cb 0.05 -2.56 1.44 0.00 -1.78 0.00 0.00 34.13 31.28 1xqq s GLU 18 CO -0.08 0.17 1.98 -0.35 -0.49 0.00 0.00 175.26 176.49 1xqq n PRO 19 N 0.07 0.78 -0.10 0.39 -0.04 -1.26 -2.62 135.00 132.23 1xqq n PRO 19 Ca 0.03 -0.18 0.04 0.00 -0.04 0.00 0.00 63.50 63.35 1xqq n PRO 19 Cb 0.52 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.57 1xqq n PRO 19 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xqq n SER 20 N -0.95 2.43 -4.57 3.54 2.88 -1.26 -4.34 113.62 111.34 1xqq n SER 20 Ca 0.17 -1.86 -0.25 0.00 -1.33 0.00 0.00 58.87 55.60 1xqq n SER 20 Cb 0.24 -0.13 0.12 0.00 -0.75 0.00 0.00 64.21 63.69 1xqq n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xqq s ASP 21 N -0.93 4.11 0.38 -3.46 2.15 -1.08 -4.66 116.67 113.19 1xqq s ASP 21 Ca 0.15 -0.17 -0.01 0.00 0.43 0.00 0.00 52.55 52.95 1xqq s ASP 21 Cb 0.08 -0.16 -0.03 0.00 -0.30 0.00 0.00 42.92 42.51 1xqq s ASP 21 CO 0.11 -2.03 0.60 0.42 -0.17 0.00 0.00 175.17 174.10 1xqq s THR 22 N -3.31 5.06 0.25 1.71 -4.23 -1.26 -1.20 115.64 112.66 1xqq s THR 22 Ca 0.67 -0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1xqq s THR 22 Cb -0.05 -3.86 0.06 0.00 1.34 0.00 0.00 72.50 69.98 1xqq s THR 22 CO 0.46 -0.62 1.69 0.40 -0.54 0.00 0.00 174.62 176.01 1xqq h ILE 23 N 0.64 1.26 -0.65 2.99 1.08 -1.20 -2.01 117.51 119.63 1xqq h ILE 23 Ca -0.49 -1.25 0.09 0.00 -0.39 0.00 0.00 64.86 62.81 1xqq h ILE 23 Cb 1.22 1.22 -0.07 0.00 -3.07 0.00 0.00 36.82 36.11 1xqq h ILE 23 CO 0.61 0.41 0.29 -0.08 -0.69 0.00 0.00 178.15 178.70 1xqq h GLU 24 N 0.58 0.50 -0.05 2.37 4.81 -0.78 0.12 114.58 122.14 1xqq h GLU 24 Ca 0.09 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 1xqq h GLU 24 Cb 0.66 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1xqq h GLU 24 CO 0.05 0.33 -0.47 -0.91 -0.73 0.00 0.00 179.01 177.28 1xqq h ASN 25 N 0.52 0.12 -0.43 1.04 2.35 -1.72 -1.50 115.58 115.95 1xqq h ASN 25 Ca 0.32 -0.05 0.07 0.00 -0.55 0.00 0.00 56.30 56.09 1xqq h ASN 25 Cb 0.34 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 1xqq h ASN 25 CO -0.27 0.57 0.06 0.58 -1.65 0.00 0.00 177.43 176.72 1xqq h VAL 26 N 0.09 0.74 -0.13 2.81 2.07 -0.63 -1.58 116.25 119.61 1xqq h VAL 26 Ca 0.00 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1xqq h VAL 26 Cb 0.87 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1xqq h VAL 26 CO 0.07 0.03 0.04 0.11 0.02 0.00 0.00 177.57 177.84 1xqq h LYS 27 N 0.18 0.18 0.00 1.57 1.57 -0.71 -2.39 116.57 116.97 1xqq h LYS 27 Ca 0.21 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.80 1xqq h LYS 27 Cb 0.28 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1xqq h LYS 27 CO -0.30 0.16 -0.84 0.00 -0.57 0.00 0.00 179.45 177.90 1xqq h ALA 28 N 1.87 0.49 -0.34 3.86 0.00 -0.68 -1.78 119.26 122.69 1xqq h ALA 28 Ca 0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 1xqq h ALA 28 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xqq h ALA 28 CO -0.00 1.05 0.13 0.87 0.00 0.00 0.00 179.25 181.29 1xqq h LYS 29 N 0.00 0.51 -0.21 0.00 1.57 -1.03 -1.19 116.57 116.23 1xqq h LYS 29 Ca -0.01 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 1xqq h LYS 29 Cb 1.61 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.83 1xqq h LYS 29 CO 0.11 0.52 -0.45 0.82 -0.57 0.00 0.00 179.45 179.87 1xqq h ILE 30 N 0.40 1.31 -0.31 1.86 2.04 -1.50 -1.85 117.51 119.48 1xqq h ILE 30 Ca 0.11 -1.64 0.09 0.00 1.00 0.00 0.00 64.86 64.42 1xqq h ILE 30 Cb 0.20 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1xqq h ILE 30 CO -0.01 0.51 0.22 -0.61 0.00 0.00 0.00 178.15 178.27 1xqq h GLN 31 N 0.42 0.00 0.00 2.37 4.15 -0.87 0.11 115.11 121.28 1xqq h GLN 31 Ca 0.03 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 1xqq h GLN 31 Cb 0.95 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 1xqq h GLN 31 CO 0.08 0.00 -0.48 0.22 -1.93 0.00 0.00 178.83 176.72 1xqq h ASP 32 N 0.00 0.00 0.17 -0.69 3.58 -0.92 -2.83 116.42 115.72 1xqq h ASP 32 Ca 0.14 -0.74 -0.01 0.00 0.42 0.00 0.00 57.03 56.84 1xqq h ASP 32 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1xqq h ASP 32 CO -0.00 1.15 -0.08 0.11 -2.88 0.00 0.00 179.24 177.54 1xqq h LYS 33 N -1.00 -0.22 0.00 0.28 1.79 -1.34 -3.42 116.57 112.66 1xqq h LYS 33 Ca -0.13 0.01 -0.24 0.00 -2.18 0.00 0.00 60.65 58.12 1xqq h LYS 33 Cb 1.05 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.71 1xqq h LYS 33 CO -0.08 0.07 -1.90 0.39 -1.08 0.00 0.00 179.45 176.85 1xqq n GLU 34 N -5.06 0.45 -0.95 3.15 -0.58 0.35 -5.03 120.64 112.97 1xqq n GLU 34 Ca -0.09 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1xqq n GLU 34 Cb 0.21 -1.32 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 2.73 1.07 3.48 0.62 0.00 -1.04 -5.00 105.19 107.05 1xqq n GLY 35 Ca -0.28 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.30 4.24 0.55 -0.61 1.01 -1.26 -4.99 121.20 117.83 1xqq s ILE 36 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 1xqq s ILE 36 Cb 0.00 -2.94 0.02 0.00 0.01 0.00 0.00 42.46 39.55 1xqq s ILE 36 CO 0.00 0.40 0.80 -2.16 0.00 0.00 0.00 174.94 173.98 1xqq s PRO 37 N 1.15 2.75 0.51 2.79 0.04 -1.26 -3.78 135.00 137.19 1xqq s PRO 37 Ca 0.04 -0.43 0.27 0.00 0.04 0.00 0.00 61.00 60.91 1xqq s PRO 37 Cb -0.14 -2.42 1.38 0.00 0.04 0.00 0.00 34.50 33.36 1xqq s PRO 37 CO 0.02 -0.64 2.04 -1.00 0.04 0.00 0.00 177.00 177.46 1xqq h PRO 38 N 0.02 0.00 0.00 0.56 0.13 -1.93 -2.31 132.00 128.47 1xqq h PRO 38 Ca -0.44 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1xqq h PRO 38 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1xqq h PRO 38 CO 0.57 0.13 -0.45 -0.44 -0.23 0.00 0.00 178.00 177.59 1xqq h ASP 39 N 0.00 0.00 0.51 1.44 3.32 -1.99 -3.29 116.42 116.41 1xqq h ASP 39 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xqq h ASP 39 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1xqq h ASP 39 CO 0.02 0.23 -0.70 0.00 -1.72 0.00 0.00 179.24 177.07 1xqq n GLN 40 N -3.07 0.13 -2.32 3.56 6.02 -0.89 -4.74 117.38 116.07 1xqq n GLN 40 Ca 0.01 0.02 -0.40 0.00 -0.01 0.00 0.00 57.00 56.62 1xqq n GLN 40 Cb 0.63 -1.56 -0.03 0.00 1.02 0.00 0.00 30.24 30.30 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xqq s GLN 41 N -3.08 2.94 -0.40 -1.09 -0.21 -1.09 -0.40 119.66 116.33 1xqq s GLN 41 Ca 0.08 0.13 -0.25 0.00 0.02 0.00 0.00 55.36 55.34 1xqq s GLN 41 Cb 0.16 -4.28 0.02 0.00 1.00 0.00 0.00 33.01 29.91 1xqq s GLN 41 CO 0.74 -2.41 0.90 1.03 -2.12 0.00 0.00 175.29 173.43 1xqq s ARG 42 N 6.32 3.73 -0.33 2.91 0.52 -0.31 -4.97 118.95 126.82 1xqq s ARG 42 Ca 0.49 0.40 -0.12 0.00 -0.52 0.00 0.00 55.73 55.99 1xqq s ARG 42 Cb -0.10 -3.84 -0.01 0.00 0.52 0.00 0.00 34.95 31.52 1xqq s ARG 42 CO 0.17 -1.01 0.22 -0.51 0.02 0.00 0.00 175.30 174.19 1xqq s LEU 43 N 3.49 4.42 -0.08 2.53 1.43 -1.26 -0.44 118.68 128.77 1xqq s LEU 43 Ca 0.37 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1xqq s LEU 43 Cb -0.12 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1xqq s LEU 43 CO 0.21 -0.23 -0.11 -0.63 0.23 0.00 0.00 176.35 175.82 1xqq s ILE 44 N 1.69 3.33 -0.31 -0.59 1.01 -0.67 -0.93 121.20 124.73 1xqq s ILE 44 Ca 0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 1xqq s ILE 44 Cb -0.17 -2.35 0.10 0.00 0.01 0.00 0.00 42.46 40.05 1xqq s ILE 44 CO 0.09 0.58 0.11 0.12 0.00 0.00 0.00 174.94 175.84 1xqq s PHE 45 N -0.50 1.40 0.00 3.97 5.36 0.46 -2.00 117.98 126.68 1xqq s PHE 45 Ca 0.07 -1.58 0.00 0.00 -0.96 0.00 0.00 56.93 54.46 1xqq s PHE 45 Cb -0.12 -1.53 0.00 0.00 -0.34 0.00 0.00 43.02 41.03 1xqq s PHE 45 CO 0.02 -0.86 0.00 0.00 -1.46 0.00 0.00 175.22 172.91 1xqq n ALA 46 N 4.86 0.00 -0.80 11.12 0.00 -1.26 -2.16 120.51 132.27 1xqq n ALA 46 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1xqq n ALA 46 Cb 0.42 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.99 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 4.31 3.42 0.00 0.00 -1.26 -4.99 105.19 106.68 1xqq n GLY 47 Ca 0.00 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.41 3.59 -0.01 1.61 2.20 -0.92 -5.09 119.74 118.71 1xqq s LYS 48 Ca 0.26 -0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 1xqq s LYS 48 Cb 0.22 -3.28 -0.06 0.00 -1.51 0.00 0.00 37.83 33.20 1xqq s LYS 48 CO 0.04 -0.20 1.44 -1.14 -0.36 0.00 0.00 175.35 175.12 1xqq s GLN 49 N 1.59 4.26 0.68 4.03 0.74 -1.26 -0.40 119.66 129.30 1xqq s GLN 49 Ca 0.06 2.00 -0.11 0.00 0.05 0.00 0.00 55.36 57.36 1xqq s GLN 49 Cb -0.15 -3.62 -0.00 0.00 1.10 0.00 0.00 33.01 30.34 1xqq s GLN 49 CO 0.03 -0.62 1.07 -0.51 -0.55 0.00 0.00 175.29 174.71 1xqq s LEU 50 N 2.60 3.01 0.00 3.68 1.43 -0.10 -4.99 118.68 124.31 1xqq s LEU 50 Ca 0.65 1.27 0.06 0.00 -1.03 0.00 0.00 54.13 55.08 1xqq s LEU 50 Cb -0.32 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 41.74 1xqq s LEU 50 CO 0.27 -1.22 -0.19 -1.61 0.23 0.00 0.00 176.35 173.82 1xqq s GLU 51 N -5.27 1.49 0.05 1.70 2.02 -1.26 -4.85 118.70 112.58 1xqq s GLU 51 Ca 0.57 -0.75 -0.22 0.00 0.02 0.00 0.00 54.97 54.59 1xqq s GLU 51 Cb -0.11 -1.48 -0.14 0.00 0.10 0.00 0.00 34.13 32.50 1xqq s GLU 51 CO 0.53 0.40 1.50 -0.44 0.02 0.00 0.00 175.26 177.27 1xqq h ASP 52 N 5.43 0.18 -0.01 -0.19 5.19 -1.98 -2.94 116.42 122.11 1xqq h ASP 52 Ca -0.39 -0.28 0.00 0.00 -0.62 0.00 0.00 57.03 55.74 1xqq h ASP 52 Cb 1.15 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1xqq h ASP 52 CO 0.47 0.42 0.00 0.61 -3.12 0.00 0.00 179.24 177.62 1xqq n GLY 53 N -0.35 -0.75 3.81 2.75 0.00 -1.26 -0.15 105.19 109.24 1xqq n GLY 53 Ca -0.06 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.99 2.67 0.54 1.61 1.81 -1.11 -4.86 118.95 117.62 1xqq s ARG 54 Ca 0.42 0.86 -0.05 0.00 -1.72 0.00 0.00 55.73 55.25 1xqq s ARG 54 Cb 0.20 -1.97 -0.00 0.00 -0.45 0.00 0.00 34.95 32.73 1xqq s ARG 54 CO 0.33 -1.26 0.83 0.95 -0.68 0.00 0.00 175.30 175.47 1xqq s THR 55 N -3.08 4.01 0.46 0.02 -4.23 -1.26 -1.33 115.64 110.23 1xqq s THR 55 Ca 0.59 -0.04 0.11 0.00 -1.18 0.00 0.00 61.69 61.17 1xqq s THR 55 Cb -0.14 -3.55 0.26 0.00 1.34 0.00 0.00 72.50 70.41 1xqq s THR 55 CO 0.55 -0.53 2.10 -0.07 -0.54 0.00 0.00 174.62 176.13 1xqq h LEU 56 N 0.02 0.24 -1.18 4.79 3.38 -1.42 -2.88 115.31 118.25 1xqq h LEU 56 Ca -0.46 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.59 1xqq h LEU 56 Cb 1.24 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.87 1xqq h LEU 56 CO 0.60 0.18 0.58 0.28 0.09 0.00 0.00 178.44 180.17 1xqq h SER 57 N 0.28 0.84 0.06 -0.43 0.02 -1.82 0.34 113.55 112.82 1xqq h SER 57 Ca 0.07 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 1xqq h SER 57 Cb -0.02 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1xqq h SER 57 CO -0.01 0.51 -0.21 0.44 -1.14 0.00 0.00 176.83 176.42 1xqq h ASP 58 N 0.94 0.27 -0.13 3.07 3.32 -1.89 -1.83 116.42 120.16 1xqq h ASP 58 Ca 0.40 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1xqq h ASP 58 Cb 0.33 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1xqq h ASP 58 CO -0.16 0.49 0.00 -1.22 -1.72 0.00 0.00 179.24 176.63 1xqq n TYR 59 N -4.19 0.15 -2.68 4.55 4.01 -1.24 -5.00 117.16 112.75 1xqq n TYR 59 Ca -0.01 -0.09 -0.08 0.00 -0.16 0.00 0.00 57.90 57.56 1xqq n TYR 59 Cb 0.33 -0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.40 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 1.08 -2.22 -4.67 7.72 3.02 -0.69 -5.02 115.26 114.49 1xqq n ASN 60 Ca 0.13 -0.28 -0.39 0.00 -0.03 0.00 0.00 54.58 54.01 1xqq n ASN 60 Cb 0.48 -2.58 -0.07 0.00 -0.61 0.00 0.00 39.78 37.00 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 -3.16 5.14 0.41 2.41 1.01 0.09 -5.02 121.20 122.08 1xqq s ILE 61 Ca 0.03 0.89 0.08 0.00 0.00 0.00 0.00 60.65 61.64 1xqq s ILE 61 Cb -0.01 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1xqq s ILE 61 CO 0.33 0.20 0.32 -1.10 0.00 0.00 0.00 174.94 174.69 1xqq s GLN 62 N 1.49 2.45 0.46 2.79 -0.21 -1.26 -4.77 119.66 120.61 1xqq s GLN 62 Ca 0.23 -1.62 -0.24 0.00 0.02 0.00 0.00 55.36 53.74 1xqq s GLN 62 Cb -0.15 -2.26 -0.08 0.00 1.00 0.00 0.00 33.01 31.52 1xqq s GLN 62 CO 0.09 -0.17 1.35 -1.59 -2.12 0.00 0.00 175.29 172.86 1xqq s LYS 63 N -4.06 3.65 -1.84 2.91 0.00 -1.26 -2.55 119.74 116.58 1xqq s LYS 63 Ca 0.46 2.25 0.00 0.00 0.00 0.00 0.00 55.97 58.68 1xqq s LYS 63 Cb -0.01 -2.57 0.00 0.00 0.00 0.00 0.00 37.83 35.24 1xqq s LYS 63 CO 0.26 -0.79 0.00 0.39 0.00 0.00 0.00 175.35 175.22 1xqq n GLU 64 N -0.31 -1.55 -3.21 1.78 1.02 0.27 -4.97 120.64 113.67 1xqq n GLU 64 Ca 0.06 1.03 -0.24 0.00 -0.02 0.00 0.00 57.16 57.99 1xqq n GLU 64 Cb 0.44 -5.48 -0.01 0.00 -0.02 0.00 0.00 31.44 26.37 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 -2.39 6.25 -0.18 1.62 0.15 -1.06 -4.65 113.70 113.45 1xqq s SER 65 Ca 0.00 0.53 -0.18 0.00 0.70 0.00 0.00 55.95 57.00 1xqq s SER 65 Cb 0.00 -2.03 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1xqq s SER 65 CO 0.00 -0.38 0.47 -0.89 1.20 0.00 0.00 173.24 173.64 1xqq s THR 66 N -2.42 5.16 0.21 6.45 2.01 -1.26 0.45 115.64 126.24 1xqq s THR 66 Ca 0.42 0.88 0.11 0.00 0.31 0.00 0.00 61.69 63.41 1xqq s THR 66 Cb -0.10 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 1xqq s THR 66 CO 0.38 0.24 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.57 1xqq s LEU 67 N 1.25 2.52 -0.20 4.42 1.02 -0.47 -4.87 118.68 122.36 1xqq s LEU 67 Ca 0.23 -0.88 -0.01 0.00 0.02 0.00 0.00 54.13 53.49 1xqq s LEU 67 Cb -0.15 -1.20 0.06 0.00 0.02 0.00 0.00 46.19 44.91 1xqq s LEU 67 CO 0.09 0.10 -0.01 -2.28 0.02 0.00 0.00 176.35 174.27 1xqq s HIS 68 N -1.87 1.60 -0.49 0.29 2.46 -0.85 -1.31 115.29 115.13 1xqq s HIS 68 Ca 0.23 -1.19 -0.24 0.00 0.47 0.00 0.00 55.06 54.33 1xqq s HIS 68 Cb -0.07 -1.26 0.03 0.00 -0.13 0.00 0.00 32.58 31.15 1xqq s HIS 68 CO 0.12 -0.66 0.86 -1.17 -2.47 0.00 0.00 174.74 171.42 1xqq s LEU 69 N 1.66 4.17 -0.04 8.88 0.20 0.10 -1.67 118.68 131.98 1xqq s LEU 69 Ca -0.02 -0.16 0.02 0.00 0.69 0.00 0.00 54.13 54.66 1xqq s LEU 69 Cb -0.17 -2.96 -0.03 0.00 -0.43 0.00 0.00 46.19 42.59 1xqq s LEU 69 CO -0.07 -1.05 -0.08 -0.69 -0.29 0.00 0.00 176.35 174.17 1xqq s VAL 70 N 3.59 3.58 -0.29 1.68 1.01 0.41 -2.48 120.40 127.89 1xqq s VAL 70 Ca 0.31 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 1xqq s VAL 70 Cb -0.12 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1xqq s VAL 70 CO 0.22 0.53 0.44 -0.76 0.00 0.00 0.00 175.10 175.53 1xqq s LEU 71 N -0.99 4.16 0.36 3.92 1.43 -1.26 -1.16 118.68 125.14 1xqq s LEU 71 Ca 0.14 0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 1xqq s LEU 71 Cb -0.11 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 1xqq s LEU 71 CO 0.03 -0.30 0.61 -0.60 0.23 0.00 0.00 176.35 176.33 1xqq s ARG 72 N 2.20 3.56 0.83 1.70 3.52 0.46 -4.95 118.95 126.27 1xqq s ARG 72 Ca 0.17 -0.06 -0.11 0.00 -0.13 0.00 0.00 55.73 55.60 1xqq s ARG 72 Cb -0.16 -2.58 0.09 0.00 -1.56 0.00 0.00 34.95 30.74 1xqq s ARG 72 CO 0.11 0.08 1.09 -0.51 -0.81 0.00 0.00 175.30 175.26 1xqq s LEU 73 N -4.13 2.64 -0.68 -0.88 1.43 -1.26 -4.75 118.68 111.05 1xqq s LEU 73 Ca 0.44 1.60 -0.18 0.00 -1.03 0.00 0.00 54.13 54.95 1xqq s LEU 73 Cb -0.10 -4.17 0.13 0.00 0.03 0.00 0.00 46.19 42.08 1xqq s LEU 73 CO 0.36 -2.26 0.76 -0.60 0.23 0.00 0.00 176.35 174.84 1xqq s ARG 74 N -4.96 3.23 0.00 1.70 3.52 -1.26 -4.37 118.95 116.81 1xqq s ARG 74 Ca 0.62 -1.63 0.00 0.00 -0.13 0.00 0.00 55.73 54.59 1xqq s ARG 74 Cb -0.17 -4.40 0.00 0.00 -1.56 0.00 0.00 34.95 28.82 1xqq s ARG 74 CO 0.56 -1.52 0.00 0.41 -0.81 0.00 0.00 175.30 173.95 1xqq n GLY 75 N 5.07 0.79 0.00 8.12 0.00 -1.26 -5.21 105.19 112.70 1xqq n GLY 75 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93