#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 2.71 0.42 3.17 0.74 -1.26 -1.15 119.66 124.29 1xqq s GLN 2 Ca 0.00 -0.71 0.04 0.00 0.05 0.00 0.00 55.36 54.74 1xqq s GLN 2 Cb 0.00 -2.42 -0.02 0.00 1.10 0.00 0.00 33.01 31.67 1xqq s GLN 2 CO 0.00 0.51 0.12 0.96 -0.55 0.00 0.00 175.29 176.33 1xqq s ILE 3 N -0.44 0.64 -0.03 -2.34 -4.36 -0.62 0.38 121.20 114.44 1xqq s ILE 3 Ca 0.05 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.49 1xqq s ILE 3 Cb -0.12 -2.32 -0.01 0.00 1.25 0.00 0.00 42.46 41.26 1xqq s ILE 3 CO 0.02 0.00 -0.18 -0.36 0.24 0.00 0.00 174.94 174.66 1xqq s PHE 4 N -3.17 1.72 -0.25 1.37 0.08 0.06 -0.85 117.98 116.95 1xqq s PHE 4 Ca 0.22 -0.40 -0.02 0.00 0.12 0.00 0.00 56.93 56.84 1xqq s PHE 4 Cb 0.02 -1.13 0.02 0.00 -0.57 0.00 0.00 43.02 41.36 1xqq s PHE 4 CO 0.14 -0.09 -0.05 0.08 -0.10 0.00 0.00 175.22 175.19 1xqq s VAL 5 N -0.23 3.02 -0.21 -0.44 1.01 -0.40 0.15 120.40 123.30 1xqq s VAL 5 Ca 0.02 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 1xqq s VAL 5 Cb -0.09 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1xqq s VAL 5 CO 0.01 0.24 0.10 -0.75 0.00 0.00 0.00 175.10 174.69 1xqq s LYS 6 N 1.36 3.94 1.18 2.72 2.20 0.45 -0.22 119.74 131.38 1xqq s LYS 6 Ca 0.01 -0.35 -0.17 0.00 -0.36 0.00 0.00 55.97 55.10 1xqq s LYS 6 Cb -0.16 -3.34 0.27 0.00 -1.51 0.00 0.00 37.83 33.09 1xqq s LYS 6 CO -0.04 0.11 1.07 0.95 -0.36 0.00 0.00 175.35 177.08 1xqq s THR 7 N 0.85 1.69 -0.00 3.43 -4.23 0.60 -1.31 115.64 116.67 1xqq s THR 7 Ca 0.05 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.35 1xqq s THR 7 Cb -0.13 -2.40 -0.21 0.00 1.34 0.00 0.00 72.50 71.10 1xqq s THR 7 CO 0.03 0.00 1.14 -0.07 -0.54 0.00 0.00 174.62 175.17 1xqq h LEU 8 N -2.53 0.42 0.52 4.79 3.38 -1.89 -3.37 115.31 116.63 1xqq h LEU 8 Ca -0.49 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 56.75 1xqq h LEU 8 Cb 1.31 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.94 1xqq h LEU 8 CO 0.41 1.06 -0.25 0.71 0.09 0.00 0.00 178.44 180.46 1xqq h THR 9 N -0.19 0.43 0.00 0.22 1.35 -1.94 -3.47 112.91 109.31 1xqq h THR 9 Ca -0.04 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1xqq h THR 9 Cb 1.08 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1xqq h THR 9 CO 0.08 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1xqq n GLY 10 N -0.85 -0.48 3.48 5.82 0.00 -1.26 -5.15 105.19 106.76 1xqq n GLY 10 Ca -0.11 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 2.46 -0.18 1.61 2.20 -1.26 -4.95 119.74 119.62 1xqq s LYS 11 Ca 0.00 -0.72 -0.07 0.00 -0.36 0.00 0.00 55.97 54.81 1xqq s LYS 11 Cb 0.00 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.91 1xqq s LYS 11 CO 0.00 0.61 0.06 0.99 -0.36 0.00 0.00 175.35 176.66 1xqq s THR 12 N -0.77 4.80 -0.50 3.43 2.01 -1.26 -0.29 115.64 123.06 1xqq s THR 12 Ca 0.12 -0.03 -0.18 0.00 0.31 0.00 0.00 61.69 61.91 1xqq s THR 12 Cb -0.11 -3.16 0.07 0.00 0.01 0.00 0.00 72.50 69.31 1xqq s THR 12 CO 0.01 0.46 0.53 -0.63 -0.69 0.00 0.00 174.62 174.31 1xqq s ILE 13 N 0.37 5.03 -0.36 1.82 1.01 0.69 -4.98 121.20 124.78 1xqq s ILE 13 Ca 0.03 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.61 1xqq s ILE 13 Cb -0.12 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.13 1xqq s ILE 13 CO 0.00 -0.73 1.09 -0.89 0.00 0.00 0.00 174.94 174.41 1xqq s THR 14 N 2.21 4.43 -0.07 2.92 2.01 -1.26 -1.27 115.64 124.61 1xqq s THR 14 Ca 0.10 1.61 0.05 0.00 0.31 0.00 0.00 61.69 63.76 1xqq s THR 14 Cb -0.22 -4.46 -0.00 0.00 0.01 0.00 0.00 72.50 67.83 1xqq s THR 14 CO 0.09 -0.61 -0.22 -0.22 -0.69 0.00 0.00 174.62 172.97 1xqq s LEU 15 N 3.85 2.01 -0.39 4.42 2.96 -0.03 -5.01 118.68 126.49 1xqq s LEU 15 Ca 0.46 -0.48 -0.21 0.00 -0.22 0.00 0.00 54.13 53.68 1xqq s LEU 15 Cb -0.11 -1.27 0.01 0.00 0.50 0.00 0.00 46.19 45.32 1xqq s LEU 15 CO 0.19 0.18 0.65 -0.70 -1.32 0.00 0.00 176.35 175.36 1xqq s GLU 16 N 0.10 3.53 0.43 1.98 2.12 -1.26 -1.60 118.70 124.01 1xqq s GLU 16 Ca -0.09 -0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.18 1xqq s GLU 16 Cb -0.15 -3.86 -0.02 0.00 0.26 0.00 0.00 34.13 30.36 1xqq s GLU 16 CO 0.05 -0.85 0.12 0.14 -0.54 0.00 0.00 175.26 174.18 1xqq s VAL 17 N 2.79 0.64 0.34 3.70 -7.23 -0.30 -4.95 120.40 115.39 1xqq s VAL 17 Ca 0.24 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.47 1xqq s VAL 17 Cb -0.14 -2.28 -0.07 0.00 0.56 0.00 0.00 36.38 34.45 1xqq s VAL 17 CO 0.17 0.00 -0.00 -1.61 -0.31 0.00 0.00 175.10 173.34 1xqq s GLU 18 N -3.71 1.75 0.31 4.82 0.41 -1.26 -0.41 118.70 120.60 1xqq s GLU 18 Ca 0.20 -1.95 0.23 0.00 -0.41 0.00 0.00 54.97 53.03 1xqq s GLU 18 Cb 0.02 -1.29 1.14 0.00 -1.78 0.00 0.00 34.13 32.23 1xqq s GLU 18 CO 0.13 -0.05 1.69 -2.30 -0.49 0.00 0.00 175.26 174.24 1xqq n PRO 19 N -0.77 0.16 0.00 0.39 -0.02 -1.26 -3.09 135.00 130.41 1xqq n PRO 19 Ca -0.04 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 1xqq n PRO 19 Cb 0.66 -1.95 0.30 0.00 -0.02 0.00 0.00 33.50 32.49 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1xqq n SER 20 N -2.27 1.49 -4.77 2.55 7.64 -1.26 -1.33 113.62 115.67 1xqq n SER 20 Ca -0.01 -1.23 -0.39 0.00 1.01 0.00 0.00 58.87 58.25 1xqq n SER 20 Cb 0.09 0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xqq s ASP 21 N -2.36 6.96 0.50 6.43 1.01 -1.18 -4.77 116.67 123.26 1xqq s ASP 21 Ca 0.26 2.30 -0.05 0.00 0.71 0.00 0.00 52.55 55.77 1xqq s ASP 21 Cb 0.19 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 1xqq s ASP 21 CO 0.48 -0.37 0.81 0.42 0.21 0.00 0.00 175.17 176.72 1xqq s THR 22 N -1.29 4.73 0.33 -1.27 -4.23 -1.26 -1.63 115.64 111.02 1xqq s THR 22 Ca 0.50 0.19 0.12 0.00 -1.18 0.00 0.00 61.69 61.32 1xqq s THR 22 Cb -0.31 -3.81 0.05 0.00 1.34 0.00 0.00 72.50 69.77 1xqq s THR 22 CO 0.40 -0.81 1.74 0.40 -0.54 0.00 0.00 174.62 175.81 1xqq h ILE 23 N 0.15 1.33 -0.52 2.99 1.08 -1.61 -2.82 117.51 118.12 1xqq h ILE 23 Ca -0.47 -1.59 -0.08 0.00 -0.39 0.00 0.00 64.86 62.34 1xqq h ILE 23 Cb 1.21 1.86 -0.02 0.00 -3.07 0.00 0.00 36.82 36.80 1xqq h ILE 23 CO 0.61 0.46 0.02 -0.08 -0.69 0.00 0.00 178.15 178.47 1xqq h GLU 24 N 0.00 0.90 -0.40 2.37 4.81 -1.85 -1.38 114.58 119.03 1xqq h GLU 24 Ca -0.00 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 58.88 1xqq h GLU 24 Cb 0.82 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1xqq h GLU 24 CO 0.06 0.91 -0.02 -0.97 -0.73 0.00 0.00 179.01 178.26 1xqq h ASN 25 N 0.77 0.71 -0.35 1.04 -0.73 -1.86 -2.36 115.58 112.80 1xqq h ASN 25 Ca 0.15 -0.32 -0.02 0.00 1.87 0.00 0.00 56.30 57.98 1xqq h ASN 25 Cb 0.49 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.87 1xqq h ASN 25 CO 0.02 0.86 0.16 0.58 -0.37 0.00 0.00 177.43 178.68 1xqq h VAL 26 N 0.55 1.18 -0.49 2.57 2.07 -1.41 -2.34 116.25 118.38 1xqq h VAL 26 Ca 0.11 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.18 1xqq h VAL 26 Cb 0.51 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1xqq h VAL 26 CO 0.03 0.19 0.33 0.11 0.02 0.00 0.00 177.57 178.24 1xqq h LYS 27 N 0.43 0.37 0.00 1.57 1.57 -1.25 -2.79 116.57 116.47 1xqq h LYS 27 Ca 0.12 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 1xqq h LYS 27 Cb 0.15 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1xqq h LYS 27 CO -0.01 0.25 -0.50 0.00 -0.57 0.00 0.00 179.45 178.62 1xqq h ALA 28 N 1.74 0.87 -0.01 3.86 0.00 -0.93 -1.46 119.26 123.33 1xqq h ALA 28 Ca 0.21 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 1xqq h ALA 28 Cb 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1xqq h ALA 28 CO -0.05 0.62 -0.79 0.87 0.00 0.00 0.00 179.25 179.90 1xqq h LYS 29 N 0.00 0.13 -0.35 0.00 1.57 -1.17 -2.43 116.57 114.32 1xqq h LYS 29 Ca -0.00 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1xqq h LYS 29 Cb 1.11 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1xqq h LYS 29 CO 0.06 0.85 0.02 0.82 -0.57 0.00 0.00 179.45 180.63 1xqq h ILE 30 N 0.08 1.19 -0.71 1.86 2.04 -1.30 -0.51 117.51 120.16 1xqq h ILE 30 Ca -0.02 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1xqq h ILE 30 Cb 1.38 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1xqq h ILE 30 CO 0.11 0.26 0.36 -0.61 0.00 0.00 0.00 178.15 178.27 1xqq h GLN 31 N 0.52 1.02 -0.04 2.37 4.15 -1.27 -1.77 115.11 120.10 1xqq h GLN 31 Ca 0.11 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 1xqq h GLN 31 Cb 0.30 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1xqq h GLN 31 CO 0.01 0.79 -0.12 0.22 -1.93 0.00 0.00 178.83 177.80 1xqq h ASP 32 N 0.99 0.17 0.31 -0.69 3.58 -0.87 -2.17 116.42 117.74 1xqq h ASP 32 Ca 0.25 -0.62 -0.02 0.00 0.42 0.00 0.00 57.03 57.06 1xqq h ASP 32 Cb 0.10 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1xqq h ASP 32 CO -0.03 0.75 -0.15 0.11 -2.88 0.00 0.00 179.24 177.04 1xqq h LYS 33 N -0.41 -0.40 0.00 0.28 1.57 -1.20 -3.37 116.57 113.03 1xqq h LYS 33 Ca -0.00 0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 1xqq h LYS 33 Cb 0.74 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1xqq h LYS 33 CO 0.02 -0.27 -1.26 0.93 -0.57 0.00 0.00 179.45 178.31 1xqq h GLU 34 N -0.43 0.00 0.00 3.15 4.39 -1.48 -3.48 114.58 116.73 1xqq h GLU 34 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1xqq h GLU 34 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1xqq h GLU 34 CO 0.07 0.42 0.00 0.41 -1.16 0.00 0.00 179.01 178.75 1xqq n GLY 35 N 1.39 0.96 3.71 -3.84 0.00 -0.81 -5.03 105.19 101.57 1xqq n GLY 35 Ca -0.08 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 4.84 0.45 -0.61 1.01 -1.24 -4.94 121.20 118.70 1xqq s ILE 36 Ca 0.00 1.99 -0.22 0.00 0.00 0.00 0.00 60.65 62.42 1xqq s ILE 36 Cb 0.00 -4.29 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 1xqq s ILE 36 CO 0.00 0.19 1.07 -2.84 0.00 0.00 0.00 174.94 173.36 1xqq s PRO 37 N 0.83 3.93 0.34 2.79 0.02 -1.26 -4.03 135.00 137.62 1xqq s PRO 37 Ca 0.50 1.50 0.27 0.00 0.02 0.00 0.00 61.00 63.28 1xqq s PRO 37 Cb -0.21 -2.33 0.96 0.00 0.02 0.00 0.00 34.50 32.95 1xqq s PRO 37 CO 0.27 -0.35 1.78 -1.00 -0.33 0.00 0.00 177.00 177.37 1xqq h PRO 38 N 2.01 0.00 -0.03 5.54 0.13 -1.94 -2.35 132.00 135.37 1xqq h PRO 38 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1xqq h PRO 38 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1xqq h PRO 38 CO 0.60 0.00 -0.32 0.38 -0.23 0.00 0.00 178.00 178.44 1xqq h ASP 39 N 0.00 0.06 1.42 1.44 2.03 -1.98 -3.27 116.42 116.12 1xqq h ASP 39 Ca 0.00 -0.02 -0.03 0.00 -0.73 0.00 0.00 57.03 56.26 1xqq h ASP 39 Cb 0.56 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1xqq h ASP 39 CO 0.00 0.37 -0.12 1.56 -1.03 0.00 0.00 179.24 180.02 1xqq h GLN 40 N 0.05 0.00 -6.11 4.15 4.20 -1.63 -3.42 115.11 112.35 1xqq h GLN 40 Ca 0.01 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.13 1xqq h GLN 40 Cb 0.59 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.28 1xqq h GLN 40 CO 0.04 0.12 0.64 -0.65 -0.67 0.00 0.00 178.83 178.31 1xqq s GLN 41 N -3.40 3.89 -0.28 1.46 -0.21 -1.21 -1.96 119.66 117.95 1xqq s GLN 41 Ca 0.04 0.67 0.03 0.00 0.02 0.00 0.00 55.36 56.11 1xqq s GLN 41 Cb 0.08 -3.79 0.07 0.00 1.00 0.00 0.00 33.01 30.37 1xqq s GLN 41 CO 0.64 -0.92 -0.07 0.50 -2.12 0.00 0.00 175.29 173.32 1xqq s ARG 42 N 3.48 2.12 -0.09 2.91 3.52 -0.59 -5.00 118.95 125.31 1xqq s ARG 42 Ca 0.39 -1.44 -0.21 0.00 -0.13 0.00 0.00 55.73 54.34 1xqq s ARG 42 Cb -0.12 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.25 1xqq s ARG 42 CO 0.18 -0.65 0.62 -0.51 -0.81 0.00 0.00 175.30 174.13 1xqq s LEU 43 N 1.08 4.30 -0.04 -0.88 1.43 -1.26 0.25 118.68 123.56 1xqq s LEU 43 Ca -0.05 1.04 0.06 0.00 -1.03 0.00 0.00 54.13 54.15 1xqq s LEU 43 Cb -0.20 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.06 1xqq s LEU 43 CO -0.05 -0.08 -0.20 -0.63 0.23 0.00 0.00 176.35 175.62 1xqq s ILE 44 N 0.77 2.60 -0.21 -0.59 1.01 0.81 -2.19 121.20 123.40 1xqq s ILE 44 Ca 0.33 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1xqq s ILE 44 Cb -0.17 -1.97 0.05 0.00 0.01 0.00 0.00 42.46 40.38 1xqq s ILE 44 CO 0.15 0.59 -0.06 0.12 0.00 0.00 0.00 174.94 175.74 1xqq s PHE 45 N -0.65 2.18 0.00 3.97 5.36 -1.15 0.68 117.98 128.38 1xqq s PHE 45 Ca 0.10 -1.53 0.00 0.00 -0.96 0.00 0.00 56.93 54.54 1xqq s PHE 45 Cb -0.11 -1.51 0.00 0.00 -0.34 0.00 0.00 43.02 41.07 1xqq s PHE 45 CO 0.00 -0.73 0.00 0.00 -1.46 0.00 0.00 175.22 173.03 1xqq n ALA 46 N 4.74 0.00 -2.63 11.12 0.00 -1.26 -3.78 120.51 128.70 1xqq n ALA 46 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 1xqq n ALA 46 Cb 0.46 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.97 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 0.66 3.04 0.00 0.00 -1.26 -5.10 105.19 102.53 1xqq n GLY 47 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 1xqq n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 48 N 0.09 0.47 -0.01 1.61 -2.85 -1.25 -5.15 119.74 112.66 1xqq s LYS 48 Ca 0.08 -0.91 -0.30 0.00 -1.00 0.00 0.00 55.97 53.84 1xqq s LYS 48 Cb 0.26 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 36.16 1xqq s LYS 48 CO -0.07 -0.09 0.99 -1.14 0.10 0.00 0.00 175.35 175.14 1xqq s GLN 49 N -2.71 4.55 -0.21 1.78 0.74 -1.26 -2.92 119.66 119.63 1xqq s GLN 49 Ca -0.04 1.42 -0.26 0.00 0.05 0.00 0.00 55.36 56.53 1xqq s GLN 49 Cb -0.01 -3.47 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 1xqq s GLN 49 CO -0.06 -0.08 0.87 -0.51 -0.55 0.00 0.00 175.29 174.97 1xqq s LEU 50 N 1.10 4.12 0.16 3.68 1.43 -0.93 -4.98 118.68 123.27 1xqq s LEU 50 Ca 0.52 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.80 1xqq s LEU 50 Cb -0.21 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 1xqq s LEU 50 CO 0.27 -0.50 0.31 -1.61 0.23 0.00 0.00 176.35 175.05 1xqq s GLU 51 N 2.63 3.46 0.30 1.70 2.02 -1.26 -4.67 118.70 122.88 1xqq s GLU 51 Ca 0.38 -0.52 0.07 0.00 0.02 0.00 0.00 54.97 54.93 1xqq s GLU 51 Cb -0.16 -2.94 0.47 0.00 0.10 0.00 0.00 34.13 31.61 1xqq s GLU 51 CO 0.09 0.49 1.70 -0.44 0.02 0.00 0.00 175.26 177.13 1xqq h ASP 52 N 2.16 0.21 -0.52 -0.19 3.32 -1.96 -3.21 116.42 116.24 1xqq h ASP 52 Ca -0.48 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.41 1xqq h ASP 52 Cb 1.19 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 1xqq h ASP 52 CO 0.69 0.62 0.09 0.61 -1.72 0.00 0.00 179.24 179.52 1xqq n GLY 53 N -0.17 2.91 3.61 2.75 0.00 -1.26 -3.57 105.19 109.46 1xqq n GLY 53 Ca -0.02 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 1xqq n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq n ARG 54 N 0.28 0.77 -3.79 1.61 1.74 -1.21 -5.05 116.66 111.01 1xqq n ARG 54 Ca 0.27 -3.61 -0.25 0.00 -0.77 0.00 0.00 57.85 53.49 1xqq n ARG 54 Cb 1.09 0.88 -0.01 0.00 -1.02 0.00 0.00 32.46 33.39 1xqq n ARG 54 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1xqq s THR 55 N -2.79 1.93 0.21 0.55 -4.23 -1.26 -2.71 115.64 107.34 1xqq s THR 55 Ca 0.05 -1.45 -0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1xqq s THR 55 Cb -0.00 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 1xqq s THR 55 CO 0.03 0.00 1.54 -0.07 -0.54 0.00 0.00 174.62 175.58 1xqq h LEU 56 N 0.82 0.50 -0.49 4.79 3.38 -1.30 -1.44 115.31 121.56 1xqq h LEU 56 Ca -0.38 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.38 1xqq h LEU 56 Cb 1.29 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1xqq h LEU 56 CO 0.57 0.94 0.25 -1.28 0.09 0.00 0.00 178.44 179.01 1xqq h SER 57 N 0.35 0.35 -0.42 -0.43 0.87 -1.49 -0.86 113.55 111.91 1xqq h SER 57 Ca 0.01 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1xqq h SER 57 Cb 1.05 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 1xqq h SER 57 CO 0.10 0.25 0.20 0.44 -0.53 0.00 0.00 176.83 177.28 1xqq h ASP 58 N 0.48 0.60 0.06 6.23 3.32 -1.77 -3.20 116.42 122.14 1xqq h ASP 58 Ca 0.22 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1xqq h ASP 58 Cb 0.13 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1xqq h ASP 58 CO -0.15 0.54 -0.34 -1.22 -1.72 0.00 0.00 179.24 176.34 1xqq n TYR 59 N -4.36 0.00 -2.77 4.55 4.01 -0.57 -4.95 117.16 113.06 1xqq n TYR 59 Ca 0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.70 1xqq n TYR 59 Cb 0.15 -0.04 0.03 0.00 -0.31 0.00 0.00 39.34 39.17 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 -0.09 -3.05 -4.47 7.72 5.03 -0.89 -5.02 115.26 114.48 1xqq n ASN 60 Ca 0.11 -0.20 -0.39 0.00 0.87 0.00 0.00 54.58 54.97 1xqq n ASN 60 Cb 0.44 -2.15 -0.11 0.00 -1.02 0.00 0.00 39.78 36.94 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xqq s ILE 61 N -3.12 4.81 0.54 2.41 1.01 -0.38 -5.06 121.20 121.42 1xqq s ILE 61 Ca 0.14 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.47 1xqq s ILE 61 Cb -0.06 -3.46 0.10 0.00 0.01 0.00 0.00 42.46 39.05 1xqq s ILE 61 CO 0.26 0.05 0.74 0.00 0.00 0.00 0.00 174.94 175.99 1xqq n GLN 62 N 5.02 0.32 -1.66 2.79 6.02 -1.26 -4.72 117.38 123.88 1xqq n GLN 62 Ca -0.13 -2.36 -0.44 0.00 -0.01 0.00 0.00 57.00 54.05 1xqq n GLN 62 Cb 0.49 -0.39 -0.02 0.00 1.02 0.00 0.00 30.24 31.35 1xqq n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1xqq n LYS 63 N -2.29 1.87 -1.66 -1.09 2.85 -1.26 -3.58 118.16 113.00 1xqq n LYS 63 Ca 0.13 0.66 -0.09 0.00 -1.05 0.00 0.00 58.31 57.97 1xqq n LYS 63 Cb 0.48 -2.21 -0.02 0.00 -0.65 0.00 0.00 35.03 32.63 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xqq n GLU 64 N 1.09 -0.63 -3.49 -1.58 1.02 0.16 -4.99 120.64 112.22 1xqq n GLU 64 Ca 0.08 0.63 -0.36 0.00 -0.02 0.00 0.00 57.16 57.48 1xqq n GLU 64 Cb 0.33 -4.54 -0.06 0.00 -0.02 0.00 0.00 31.44 27.16 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 -2.78 6.77 -0.58 1.62 0.01 -1.24 -4.82 113.70 112.69 1xqq s SER 65 Ca 0.00 0.94 -0.14 0.00 1.31 0.00 0.00 55.95 58.06 1xqq s SER 65 Cb 0.00 -2.24 0.14 0.00 0.21 0.00 0.00 66.02 64.14 1xqq s SER 65 CO 0.00 0.24 0.51 -0.89 0.41 0.00 0.00 173.24 173.51 1xqq s THR 66 N -1.25 5.02 0.26 1.44 2.01 -1.26 -0.76 115.64 121.10 1xqq s THR 66 Ca 0.29 -1.79 -0.20 0.00 0.31 0.00 0.00 61.69 60.31 1xqq s THR 66 Cb -0.16 -4.21 -0.09 0.00 0.01 0.00 0.00 72.50 68.06 1xqq s THR 66 CO 0.16 -0.88 0.77 -0.76 -0.69 0.00 0.00 174.62 173.23 1xqq s LEU 67 N 1.24 4.28 -0.12 4.42 1.02 0.12 -4.65 118.68 124.99 1xqq s LEU 67 Ca 0.07 1.48 -0.02 0.00 0.02 0.00 0.00 54.13 55.68 1xqq s LEU 67 Cb -0.25 -3.78 -0.03 0.00 0.02 0.00 0.00 46.19 42.15 1xqq s LEU 67 CO -0.00 -0.04 -0.04 -1.00 0.02 0.00 0.00 176.35 175.29 1xqq s HIS 68 N -1.64 3.03 -0.21 0.29 3.76 0.21 -0.41 115.29 120.33 1xqq s HIS 68 Ca 0.47 -0.14 -0.07 0.00 -0.15 0.00 0.00 55.06 55.17 1xqq s HIS 68 Cb -0.16 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 1xqq s HIS 68 CO 0.21 0.14 0.06 -1.17 -0.85 0.00 0.00 174.74 173.13 1xqq s LEU 69 N -0.13 3.65 0.14 0.89 2.96 -0.43 -0.13 118.68 125.63 1xqq s LEU 69 Ca 0.03 -0.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.97 1xqq s LEU 69 Cb -0.13 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1xqq s LEU 69 CO 0.02 0.08 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.35 1xqq s VAL 70 N 0.90 3.26 -0.24 1.68 1.01 0.14 -3.68 120.40 123.47 1xqq s VAL 70 Ca 0.04 -1.48 0.02 0.00 0.00 0.00 0.00 61.98 60.56 1xqq s VAL 70 Cb -0.14 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.73 1xqq s VAL 70 CO 0.03 -0.01 -0.11 -0.76 0.00 0.00 0.00 175.10 174.25 1xqq s LEU 71 N -2.54 3.03 0.30 3.92 1.43 -1.26 -1.54 118.68 122.02 1xqq s LEU 71 Ca 0.23 -1.23 0.10 0.00 -1.03 0.00 0.00 54.13 52.21 1xqq s LEU 71 Cb -0.10 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 1xqq s LEU 71 CO 0.14 -0.17 -0.06 0.00 0.23 0.00 0.00 176.35 176.49 1xqq s ARG 72 N 1.20 2.03 0.60 1.70 1.04 -0.83 -5.03 118.95 119.67 1xqq s ARG 72 Ca -0.06 -1.64 -0.12 0.00 -1.04 0.00 0.00 55.73 52.87 1xqq s ARG 72 Cb -0.19 -1.96 -0.05 0.00 -2.04 0.00 0.00 34.95 30.72 1xqq s ARG 72 CO -0.06 0.27 1.01 -0.51 -0.04 0.00 0.00 175.30 175.97 1xqq s LEU 73 N -3.64 3.31 0.01 -1.89 1.43 -1.26 -4.41 118.68 112.23 1xqq s LEU 73 Ca 0.32 1.42 -0.25 0.00 -1.03 0.00 0.00 54.13 54.59 1xqq s LEU 73 Cb -0.04 -4.45 -0.05 0.00 0.03 0.00 0.00 46.19 41.69 1xqq s LEU 73 CO 0.18 -0.81 0.78 -0.60 0.23 0.00 0.00 176.35 176.13 1xqq s ARG 74 N -4.99 4.50 0.00 1.70 3.52 -1.26 -4.80 118.95 117.62 1xqq s ARG 74 Ca 0.55 1.08 0.00 0.00 -0.13 0.00 0.00 55.73 57.23 1xqq s ARG 74 Cb -0.11 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 1xqq s ARG 74 CO 0.50 0.18 0.00 0.41 -0.81 0.00 0.00 175.30 175.58 1xqq n GLY 75 N 2.64 -1.26 0.00 8.12 0.00 -1.26 -5.16 105.19 108.28 1xqq n GLY 75 Ca -0.01 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93