#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 4.19 0.29 3.17 -0.21 -1.26 -1.10 119.66 124.73 1xqq s GLN 2 Ca 0.00 0.50 0.10 0.00 0.02 0.00 0.00 55.36 55.98 1xqq s GLN 2 Cb 0.00 -3.34 -0.05 0.00 1.00 0.00 0.00 33.01 30.62 1xqq s GLN 2 CO 0.00 0.40 -0.15 0.96 -2.12 0.00 0.00 175.29 174.38 1xqq s ILE 3 N -0.19 2.20 -0.26 1.08 -4.36 -0.56 -1.00 121.20 118.12 1xqq s ILE 3 Ca 0.26 -2.29 -0.04 0.00 -0.26 0.00 0.00 60.65 58.31 1xqq s ILE 3 Cb -0.16 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.18 1xqq s ILE 3 CO 0.13 -0.37 0.00 -0.36 0.24 0.00 0.00 174.94 174.58 1xqq s PHE 4 N -2.67 3.07 -0.40 1.37 0.08 -0.74 -2.11 117.98 116.58 1xqq s PHE 4 Ca 0.29 -1.12 -0.12 0.00 0.12 0.00 0.00 56.93 56.11 1xqq s PHE 4 Cb -0.01 -2.15 0.04 0.00 -0.57 0.00 0.00 43.02 40.32 1xqq s PHE 4 CO 0.14 -0.61 0.25 0.08 -0.10 0.00 0.00 175.22 174.99 1xqq s VAL 5 N 1.45 4.71 -0.27 -0.44 1.01 0.12 -1.29 120.40 125.68 1xqq s VAL 5 Ca 0.03 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 1xqq s VAL 5 Cb -0.16 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1xqq s VAL 5 CO -0.01 -0.34 0.30 -0.75 0.00 0.00 0.00 175.10 174.30 1xqq s LYS 6 N 1.56 3.99 0.99 2.72 2.47 0.99 -0.53 119.74 131.93 1xqq s LYS 6 Ca 0.03 -0.11 -0.15 0.00 -1.56 0.00 0.00 55.97 54.17 1xqq s LYS 6 Cb -0.20 -3.66 0.19 0.00 -1.46 0.00 0.00 37.83 32.70 1xqq s LYS 6 CO 0.06 -0.24 1.22 0.95 0.16 0.00 0.00 175.35 177.51 1xqq s THR 7 N 1.94 1.91 0.13 3.43 -4.23 -0.41 -0.22 115.64 118.19 1xqq s THR 7 Ca 0.12 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.51 1xqq s THR 7 Cb -0.16 -2.83 -0.06 0.00 1.34 0.00 0.00 72.50 70.79 1xqq s THR 7 CO 0.10 0.00 1.45 0.25 -0.54 0.00 0.00 174.62 175.89 1xqq h LEU 8 N -1.76 0.96 -0.45 4.79 5.85 -1.79 -3.13 115.31 119.78 1xqq h LEU 8 Ca -0.46 -0.48 -0.02 0.00 0.84 0.00 0.00 57.88 57.76 1xqq h LEU 8 Cb 1.28 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1xqq h LEU 8 CO 0.45 1.24 -0.10 0.71 -0.34 0.00 0.00 178.44 180.41 1xqq h THR 9 N 0.69 0.18 0.00 1.05 1.35 -1.93 -3.47 112.91 110.79 1xqq h THR 9 Ca 0.05 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1xqq h THR 9 Cb 0.99 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1xqq h THR 9 CO 0.10 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 1xqq n GLY 10 N 0.78 1.96 3.77 5.82 0.00 -1.18 -5.10 105.19 111.24 1xqq n GLY 10 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.08 4.59 -0.51 1.61 2.20 -1.26 -4.78 119.74 121.50 1xqq s LYS 11 Ca 0.00 1.19 -0.20 0.00 -0.36 0.00 0.00 55.97 56.61 1xqq s LYS 11 Cb 0.00 -3.28 0.06 0.00 -1.51 0.00 0.00 37.83 33.10 1xqq s LYS 11 CO 0.00 0.51 0.66 0.99 -0.36 0.00 0.00 175.35 177.16 1xqq s THR 12 N -0.96 4.82 -0.26 3.43 2.01 -1.26 -1.29 115.64 122.12 1xqq s THR 12 Ca 0.37 -0.42 -0.18 0.00 0.31 0.00 0.00 61.69 61.77 1xqq s THR 12 Cb -0.23 -4.33 -0.03 0.00 0.01 0.00 0.00 72.50 67.92 1xqq s THR 12 CO 0.27 -0.85 0.52 -0.63 -0.69 0.00 0.00 174.62 173.24 1xqq s ILE 13 N 2.78 5.06 -0.34 1.82 1.01 0.32 -4.87 121.20 126.98 1xqq s ILE 13 Ca 0.17 0.89 -0.28 0.00 0.00 0.00 0.00 60.65 61.43 1xqq s ILE 13 Cb -0.19 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.46 1xqq s ILE 13 CO 0.13 0.08 1.03 -0.89 0.00 0.00 0.00 174.94 175.29 1xqq s THR 14 N 2.33 4.52 0.04 2.92 2.01 -1.26 0.15 115.64 126.34 1xqq s THR 14 Ca 0.21 1.58 0.08 0.00 0.31 0.00 0.00 61.69 63.87 1xqq s THR 14 Cb -0.16 -4.40 -0.03 0.00 0.01 0.00 0.00 72.50 67.93 1xqq s THR 14 CO 0.09 -0.51 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.53 1xqq s LEU 15 N 3.63 2.16 -0.47 4.42 1.43 -0.90 -4.97 118.68 123.99 1xqq s LEU 15 Ca 0.43 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 52.78 1xqq s LEU 15 Cb -0.12 -1.06 0.03 0.00 0.03 0.00 0.00 46.19 45.08 1xqq s LEU 15 CO 0.17 0.19 0.74 -1.61 0.23 0.00 0.00 176.35 176.07 1xqq s GLU 16 N -1.18 3.31 0.20 1.70 2.02 -1.26 -1.50 118.70 122.00 1xqq s GLU 16 Ca 0.09 -0.32 0.09 0.00 0.02 0.00 0.00 54.97 54.85 1xqq s GLU 16 Cb -0.09 -3.98 -0.04 0.00 0.10 0.00 0.00 34.13 30.12 1xqq s GLU 16 CO 0.02 -1.15 -0.07 0.14 0.02 0.00 0.00 175.26 174.22 1xqq s VAL 17 N 3.15 3.29 0.13 2.63 -7.23 -0.26 -4.93 120.40 117.19 1xqq s VAL 17 Ca 0.26 -1.71 0.06 0.00 -1.81 0.00 0.00 61.98 58.77 1xqq s VAL 17 Cb -0.14 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 1xqq s VAL 17 CO 0.20 -0.18 0.02 -1.61 -0.31 0.00 0.00 175.10 173.21 1xqq s GLU 18 N -3.06 2.55 0.54 4.82 0.41 -1.26 0.67 118.70 123.36 1xqq s GLU 18 Ca 0.27 -0.94 0.30 0.00 -0.41 0.00 0.00 54.97 54.19 1xqq s GLU 18 Cb -0.08 -2.49 1.50 0.00 -1.78 0.00 0.00 34.13 31.28 1xqq s GLU 18 CO 0.17 0.50 2.07 -1.35 -0.49 0.00 0.00 175.26 176.16 1xqq h PRO 19 N 3.02 0.00 -0.08 0.39 0.11 -1.95 -1.03 132.00 132.46 1xqq h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xqq h PRO 19 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xqq h PRO 19 CO 0.60 0.10 0.00 0.43 -0.21 0.00 0.00 178.00 178.91 1xqq n SER 20 N -3.46 1.68 -4.86 -2.05 7.64 -1.26 -1.58 113.62 109.73 1xqq n SER 20 Ca -0.01 -1.61 -0.31 0.00 1.01 0.00 0.00 58.87 57.95 1xqq n SER 20 Cb 0.25 -0.05 0.03 0.00 -1.01 0.00 0.00 64.21 63.43 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 -1.83 5.84 0.37 6.43 1.01 -0.39 -4.86 116.67 123.24 1xqq s ASP 21 Ca 0.36 1.38 0.08 0.00 0.71 0.00 0.00 52.55 55.07 1xqq s ASP 21 Cb 0.20 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.76 1xqq s ASP 21 CO 0.31 -1.12 0.29 0.42 0.21 0.00 0.00 175.17 175.28 1xqq s THR 22 N -3.20 3.01 0.17 -1.27 -4.23 -1.26 -3.00 115.64 105.86 1xqq s THR 22 Ca 0.56 -1.44 -0.01 0.00 -1.18 0.00 0.00 61.69 59.62 1xqq s THR 22 Cb -0.12 -3.06 -0.13 0.00 1.34 0.00 0.00 72.50 70.53 1xqq s THR 22 CO 0.54 -0.09 1.40 0.40 -0.54 0.00 0.00 174.62 176.32 1xqq h ILE 23 N 1.23 1.41 -0.91 2.99 1.08 -0.64 -1.94 117.51 120.75 1xqq h ILE 23 Ca -0.43 -2.32 0.08 0.00 -0.39 0.00 0.00 64.86 61.79 1xqq h ILE 23 Cb 1.26 2.27 -0.06 0.00 -3.07 0.00 0.00 36.82 37.22 1xqq h ILE 23 CO 0.60 0.69 0.59 -0.08 -0.69 0.00 0.00 178.15 179.26 1xqq h GLU 24 N 0.22 0.96 0.00 2.37 4.57 -1.09 -0.51 114.58 121.10 1xqq h GLU 24 Ca -0.04 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1xqq h GLU 24 Cb 1.41 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1xqq h GLU 24 CO 0.13 0.64 0.00 -0.97 -1.18 0.00 0.00 179.01 177.63 1xqq h ASN 25 N 0.99 0.00 0.41 1.04 -0.00 -1.66 -1.23 115.58 115.12 1xqq h ASN 25 Ca 0.40 0.00 -0.29 0.00 -0.00 0.00 0.00 56.30 56.41 1xqq h ASN 25 Cb 0.27 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.61 1xqq h ASN 25 CO -0.16 0.00 -1.28 0.58 -0.00 0.00 0.00 177.43 176.57 1xqq h VAL 26 N 0.00 1.39 -0.02 2.57 2.07 -0.57 -2.90 116.25 118.80 1xqq h VAL 26 Ca 0.00 -2.79 -0.09 0.00 0.82 0.00 0.00 66.70 64.65 1xqq h VAL 26 Cb 0.51 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 1xqq h VAL 26 CO 0.00 0.83 -0.39 0.50 0.02 0.00 0.00 177.57 178.53 1xqq h LYS 27 N 0.15 0.03 0.09 1.57 3.64 -1.27 -2.70 116.57 118.08 1xqq h LYS 27 Ca -0.17 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 58.95 1xqq h LYS 27 Cb 1.98 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.82 1xqq h LYS 27 CO 0.23 0.42 -1.01 0.00 -2.27 0.00 0.00 179.45 176.81 1xqq h ALA 28 N 1.58 -0.00 -0.39 5.00 0.00 -1.23 -0.91 119.26 123.31 1xqq h ALA 28 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1xqq h ALA 28 Cb 0.71 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1xqq h ALA 28 CO 0.05 0.55 0.19 0.87 0.00 0.00 0.00 179.25 180.92 1xqq h LYS 29 N 0.07 0.54 -0.67 0.00 1.57 -1.39 -1.06 116.57 115.64 1xqq h LYS 29 Ca -0.15 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 1xqq h LYS 29 Cb 1.72 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.89 1xqq h LYS 29 CO 0.19 0.42 0.10 0.82 -0.57 0.00 0.00 179.45 180.42 1xqq h ILE 30 N 0.55 1.26 0.19 1.86 2.04 -1.25 0.92 117.51 123.08 1xqq h ILE 30 Ca 0.14 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1xqq h ILE 30 Cb 0.05 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1xqq h ILE 30 CO -0.02 0.39 -0.19 -0.61 0.00 0.00 0.00 178.15 177.72 1xqq h GLN 31 N 1.03 -0.40 -0.27 2.37 4.15 -0.47 0.28 115.11 121.81 1xqq h GLN 31 Ca 0.20 0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.58 1xqq h GLN 31 Cb 0.44 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1xqq h GLN 31 CO 0.01 -0.26 -0.09 0.22 -1.93 0.00 0.00 178.83 176.78 1xqq h ASP 32 N -0.41 0.54 0.00 -0.69 3.58 -1.20 -2.57 116.42 115.66 1xqq h ASP 32 Ca 0.00 -0.38 -0.07 0.00 0.42 0.00 0.00 57.03 57.00 1xqq h ASP 32 Cb 0.39 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1xqq h ASP 32 CO -0.05 0.80 -0.38 0.11 -2.88 0.00 0.00 179.24 176.84 1xqq h LYS 33 N 0.27 0.00 0.00 0.28 1.57 -0.85 -3.42 116.57 114.42 1xqq h LYS 33 Ca 0.06 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.69 1xqq h LYS 33 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1xqq h LYS 33 CO 0.03 0.98 -1.24 0.39 -0.57 0.00 0.00 179.45 179.04 1xqq n GLU 34 N -4.56 0.53 0.00 3.15 -0.58 -0.41 -5.06 120.64 113.71 1xqq n GLU 34 Ca -0.16 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1xqq n GLU 34 Cb 0.53 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 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 1.46 0.97 3.73 0.62 0.00 -0.05 -5.01 105.19 106.91 1xqq n GLY 35 Ca -0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.92 5.10 0.42 -0.61 -1.09 -1.26 -5.00 121.20 116.85 1xqq s ILE 36 Ca 0.00 1.12 -0.25 0.00 -2.23 0.00 0.00 60.65 59.30 1xqq s ILE 36 Cb 0.00 -3.89 -0.08 0.00 -1.58 0.00 0.00 42.46 36.91 1xqq s ILE 36 CO 0.00 0.33 1.23 -2.84 -1.23 0.00 0.00 174.94 172.43 1xqq s PRO 37 N 0.47 3.89 0.00 2.79 0.02 -1.26 -4.48 135.00 136.44 1xqq s PRO 37 Ca 0.30 1.97 0.30 0.00 0.02 0.00 0.00 61.00 63.59 1xqq s PRO 37 Cb -0.16 -2.62 1.54 0.00 0.02 0.00 0.00 34.50 33.28 1xqq s PRO 37 CO 0.14 -0.49 2.04 -0.35 -0.33 0.00 0.00 177.00 178.00 1xqq n PRO 38 N -0.10 0.71 0.17 5.54 -0.04 -1.26 -2.07 135.00 137.95 1xqq n PRO 38 Ca 0.05 -0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.47 1xqq n PRO 38 Cb 0.46 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.24 0.00 0.83 3.54 2.03 -2.00 -3.32 116.42 117.74 1xqq h ASP 39 Ca 0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 1xqq h ASP 39 Cb 0.23 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 1xqq h ASP 39 CO 0.00 0.34 -1.25 1.56 -1.03 0.00 0.00 179.24 178.86 1xqq h GLN 40 N 0.00 0.00 -6.23 4.15 4.20 -1.72 -3.43 115.11 112.08 1xqq h GLN 40 Ca -0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.16 1xqq h GLN 40 Cb 1.20 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.90 1xqq h GLN 40 CO 0.04 0.22 1.20 -0.65 -0.67 0.00 0.00 178.83 178.97 1xqq s GLN 41 N -3.04 3.24 -0.18 1.46 -0.21 -1.12 -0.48 119.66 119.33 1xqq s GLN 41 Ca -0.02 -0.44 -0.04 0.00 0.02 0.00 0.00 55.36 54.88 1xqq s GLN 41 Cb 0.09 -4.58 -0.02 0.00 1.00 0.00 0.00 33.01 29.49 1xqq s GLN 41 CO 0.80 -2.26 -0.03 0.50 -2.12 0.00 0.00 175.29 172.18 1xqq s ARG 42 N 5.67 3.61 -0.19 2.91 3.52 -1.04 -4.92 118.95 128.52 1xqq s ARG 42 Ca 0.42 -0.54 -0.05 0.00 -0.13 0.00 0.00 55.73 55.43 1xqq s ARG 42 Cb -0.06 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 1xqq s ARG 42 CO 0.07 0.12 0.01 -0.51 -0.81 0.00 0.00 175.30 174.18 1xqq s LEU 43 N 0.70 3.41 -0.05 -0.88 1.43 -1.26 -0.92 118.68 121.11 1xqq s LEU 43 Ca -0.01 -0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1xqq s LEU 43 Cb -0.14 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1xqq s LEU 43 CO 0.02 0.12 -0.21 -0.63 0.23 0.00 0.00 176.35 175.87 1xqq s ILE 44 N 0.69 2.41 -0.07 -0.59 -1.09 0.34 -0.69 121.20 122.21 1xqq s ILE 44 Ca 0.00 -0.96 0.01 0.00 -2.23 0.00 0.00 60.65 57.48 1xqq s ILE 44 Cb -0.14 -1.89 0.02 0.00 -1.58 0.00 0.00 42.46 38.87 1xqq s ILE 44 CO 0.02 0.58 -0.08 0.12 -1.23 0.00 0.00 174.94 174.35 1xqq s PHE 45 N -0.43 1.14 0.00 3.97 5.36 -1.07 -1.06 117.98 125.89 1xqq s PHE 45 Ca 0.05 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 1xqq s PHE 45 Cb -0.12 -0.93 0.00 0.00 -0.34 0.00 0.00 43.02 41.64 1xqq s PHE 45 CO 0.01 -0.29 0.00 0.00 -1.46 0.00 0.00 175.22 173.49 1xqq n ALA 46 N 4.17 0.00 0.03 11.12 0.00 -1.26 -2.57 120.51 132.00 1xqq n ALA 46 Ca -0.21 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.25 1xqq n ALA 46 Cb 0.51 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.00 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 1.41 3.27 0.00 0.00 -1.26 -5.02 105.19 103.60 1xqq n GLY 47 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.76 1.73 0.21 1.61 1.02 -1.06 -5.10 119.74 117.39 1xqq s LYS 48 Ca 0.08 -0.91 -0.30 0.00 0.02 0.00 0.00 55.97 54.86 1xqq s LYS 48 Cb 0.04 -1.77 -0.08 0.00 -0.52 0.00 0.00 37.83 35.51 1xqq s LYS 48 CO 0.06 0.47 1.06 -1.14 -0.92 0.00 0.00 175.35 174.88 1xqq s GLN 49 N -0.84 4.66 -0.40 1.68 0.74 -1.26 -2.61 119.66 121.63 1xqq s GLN 49 Ca 0.09 1.68 -0.24 0.00 0.05 0.00 0.00 55.36 56.94 1xqq s GLN 49 Cb -0.09 -3.26 0.02 0.00 1.10 0.00 0.00 33.01 30.78 1xqq s GLN 49 CO 0.00 0.20 0.86 -0.51 -0.55 0.00 0.00 175.29 175.29 1xqq s LEU 50 N -0.77 4.08 0.05 3.68 1.43 0.14 -4.96 118.68 122.32 1xqq s LEU 50 Ca 0.46 0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 53.67 1xqq s LEU 50 Cb -0.29 -3.12 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 1xqq s LEU 50 CO 0.36 -0.86 0.61 -0.70 0.23 0.00 0.00 176.35 175.99 1xqq s GLU 51 N 3.38 4.30 0.09 1.70 2.12 -1.26 -4.59 118.70 124.44 1xqq s GLU 51 Ca 0.34 0.80 -0.26 0.00 0.36 0.00 0.00 54.97 56.22 1xqq s GLU 51 Cb -0.12 -3.29 -0.10 0.00 0.26 0.00 0.00 34.13 30.88 1xqq s GLU 51 CO 0.20 0.50 1.42 -0.44 -0.54 0.00 0.00 175.26 176.40 1xqq h ASP 52 N 5.04 -1.32 -0.26 -1.70 5.19 -1.94 -2.49 116.42 118.94 1xqq h ASP 52 Ca -0.47 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1xqq h ASP 52 Cb 1.21 0.52 0.00 0.00 0.18 0.00 0.00 39.33 41.24 1xqq h ASP 52 CO 0.67 -0.36 0.00 0.61 -3.12 0.00 0.00 179.24 177.03 1xqq n GLY 53 N -1.32 2.05 3.97 2.75 0.00 -1.26 -0.55 105.19 110.83 1xqq n GLY 53 Ca -0.04 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.76 2.39 0.29 1.61 0.52 -0.94 -4.87 118.95 116.19 1xqq s ARG 54 Ca 0.24 -0.78 0.04 0.00 -0.52 0.00 0.00 55.73 54.70 1xqq s ARG 54 Cb 0.18 -2.44 -0.03 0.00 0.52 0.00 0.00 34.95 33.19 1xqq s ARG 54 CO 0.07 -0.87 0.44 0.95 0.02 0.00 0.00 175.30 175.92 1xqq s THR 55 N -2.86 4.93 0.21 0.02 -4.23 -1.26 -0.75 115.64 111.70 1xqq s THR 55 Ca 0.59 -0.85 -0.04 0.00 -1.18 0.00 0.00 61.69 60.21 1xqq s THR 55 Cb -0.10 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 70.00 1xqq s THR 55 CO 0.40 -0.35 1.60 -0.07 -0.54 0.00 0.00 174.62 175.66 1xqq h LEU 56 N 0.98 0.72 -1.05 4.79 4.07 -1.45 -2.95 115.31 120.42 1xqq h LEU 56 Ca -0.50 -0.29 0.20 0.00 0.08 0.00 0.00 57.88 57.36 1xqq h LEU 56 Cb 1.23 -0.20 -0.11 0.00 1.08 0.00 0.00 40.66 42.67 1xqq h LEU 56 CO 0.59 0.99 0.61 0.77 -1.08 0.00 0.00 178.44 180.33 1xqq h SER 57 N 0.58 0.75 0.47 -0.43 4.64 -1.56 -0.95 113.55 117.06 1xqq h SER 57 Ca 0.06 0.10 -0.09 0.00 -0.47 0.00 0.00 61.79 61.39 1xqq h SER 57 Cb 0.84 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1xqq h SER 57 CO 0.07 0.25 -0.42 -0.78 -0.87 0.00 0.00 176.83 175.08 1xqq h ASP 58 N 0.72 0.00 -0.06 4.97 3.58 -1.82 -2.84 116.42 120.97 1xqq h ASP 58 Ca 0.58 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.03 1xqq h ASP 58 Cb 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1xqq h ASP 58 CO -0.38 0.42 0.00 -1.22 -2.88 0.00 0.00 179.24 175.18 1xqq n TYR 59 N -3.95 0.05 -2.51 0.28 4.01 -1.15 -4.97 117.16 108.91 1xqq n TYR 59 Ca -0.02 -0.03 -0.13 0.00 -0.16 0.00 0.00 57.90 57.57 1xqq n TYR 59 Cb 0.46 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.50 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 0.74 -4.17 -4.64 7.72 4.13 -1.05 -4.96 115.26 113.04 1xqq n ASN 60 Ca 0.17 -0.11 -0.43 0.00 1.68 0.00 0.00 54.58 55.89 1xqq n ASN 60 Cb 0.47 -3.18 -0.02 0.00 -1.54 0.00 0.00 39.78 35.51 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 -2.80 4.39 0.62 2.41 1.01 -0.39 -5.01 121.20 121.43 1xqq s ILE 61 Ca 0.11 1.61 0.01 0.00 0.00 0.00 0.00 60.65 62.37 1xqq s ILE 61 Cb -0.05 -4.31 0.07 0.00 0.01 0.00 0.00 42.46 38.19 1xqq s ILE 61 CO 0.13 -0.45 0.86 -1.10 0.00 0.00 0.00 174.94 174.39 1xqq s GLN 62 N 3.77 2.20 0.48 2.79 -1.52 -1.26 -4.66 119.66 121.46 1xqq s GLN 62 Ca 0.49 -0.95 -0.20 0.00 -1.95 0.00 0.00 55.36 52.75 1xqq s GLN 62 Cb -0.14 -2.44 -0.09 0.00 -0.22 0.00 0.00 33.01 30.13 1xqq s GLN 62 CO 0.17 -1.00 1.02 -1.59 -0.25 0.00 0.00 175.29 173.64 1xqq s LYS 63 N -4.90 3.85 -1.03 2.91 -2.85 -1.26 -3.86 119.74 112.59 1xqq s LYS 63 Ca 0.61 1.31 -0.07 0.00 -1.00 0.00 0.00 55.97 56.82 1xqq s LYS 63 Cb -0.08 -2.11 0.01 0.00 -2.06 0.00 0.00 37.83 33.59 1xqq s LYS 63 CO 0.41 -0.38 0.90 0.39 0.10 0.00 0.00 175.35 176.77 1xqq n GLU 64 N -0.96 -6.06 -4.04 1.78 1.02 -0.17 -5.01 120.64 107.20 1xqq n GLU 64 Ca 0.09 0.63 -0.33 0.00 -0.02 0.00 0.00 57.16 57.53 1xqq n GLU 64 Cb 0.53 -5.07 -0.06 0.00 -0.02 0.00 0.00 31.44 26.81 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 -3.24 5.88 -0.33 1.62 0.01 -1.25 -4.82 113.70 111.58 1xqq s SER 65 Ca 0.45 0.20 -0.15 0.00 1.31 0.00 0.00 55.95 57.75 1xqq s SER 65 Cb -0.20 -1.74 -0.02 0.00 0.21 0.00 0.00 66.02 64.28 1xqq s SER 65 CO 0.55 0.26 0.38 -0.89 0.41 0.00 0.00 173.24 173.96 1xqq s THR 66 N -1.24 5.15 0.47 1.44 2.01 -1.26 -1.80 115.64 120.42 1xqq s THR 66 Ca 0.24 0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 1xqq s THR 66 Cb -0.12 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1xqq s THR 66 CO 0.16 -0.05 0.84 -0.76 -0.69 0.00 0.00 174.62 174.11 1xqq s LEU 67 N 2.08 3.65 -0.34 4.42 1.02 -0.41 -4.83 118.68 124.26 1xqq s LEU 67 Ca 0.13 1.15 -0.10 0.00 0.02 0.00 0.00 54.13 55.34 1xqq s LEU 67 Cb -0.16 -4.09 0.02 0.00 0.02 0.00 0.00 46.19 41.98 1xqq s LEU 67 CO 0.12 -0.55 0.16 -1.00 0.02 0.00 0.00 176.35 175.10 1xqq s HIS 68 N -2.64 3.21 -0.50 0.29 3.76 -0.22 -0.01 115.29 119.18 1xqq s HIS 68 Ca 0.51 -0.91 -0.18 0.00 -0.15 0.00 0.00 55.06 54.33 1xqq s HIS 68 Cb -0.10 -2.37 0.07 0.00 1.11 0.00 0.00 32.58 31.28 1xqq s HIS 68 CO 0.39 -0.60 0.56 -1.17 -0.85 0.00 0.00 174.74 173.07 1xqq s LEU 69 N 1.54 5.23 0.20 0.89 2.96 0.69 -0.50 118.68 129.71 1xqq s LEU 69 Ca 0.02 -1.10 0.09 0.00 -0.22 0.00 0.00 54.13 52.93 1xqq s LEU 69 Cb -0.18 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1xqq s LEU 69 CO 0.06 -0.83 -0.10 0.68 -1.32 0.00 0.00 176.35 174.84 1xqq s VAL 70 N 2.30 3.12 -0.57 1.68 -7.23 -0.10 -2.19 120.40 117.41 1xqq s VAL 70 Ca 0.11 -1.79 -0.27 0.00 -1.81 0.00 0.00 61.98 58.22 1xqq s VAL 70 Cb -0.21 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 1xqq s VAL 70 CO 0.10 -0.18 1.73 -0.22 -0.31 0.00 0.00 175.10 176.21 1xqq s LEU 71 N -3.02 3.34 0.17 1.32 2.96 -1.26 -2.51 118.68 119.67 1xqq s LEU 71 Ca 0.26 0.42 -0.32 0.00 -0.22 0.00 0.00 54.13 54.28 1xqq s LEU 71 Cb -0.08 -2.78 -0.10 0.00 0.50 0.00 0.00 46.19 43.73 1xqq s LEU 71 CO 0.16 -2.12 1.59 -0.60 -1.32 0.00 0.00 176.35 174.06 1xqq s ARG 72 N 6.46 4.20 -0.17 1.98 3.52 0.37 -4.95 118.95 130.36 1xqq s ARG 72 Ca 0.64 2.39 -0.06 0.00 -0.13 0.00 0.00 55.73 58.58 1xqq s ARG 72 Cb -0.13 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 1xqq s ARG 72 CO 0.23 -0.63 0.02 -1.17 -0.81 0.00 0.00 175.30 172.94 1xqq s LEU 73 N 1.22 3.61 0.68 -0.88 2.96 -1.26 -4.78 118.68 120.23 1xqq s LEU 73 Ca 0.71 0.02 -0.17 0.00 -0.22 0.00 0.00 54.13 54.47 1xqq s LEU 73 Cb -0.44 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.36 1xqq s LEU 73 CO 0.31 0.19 1.24 0.00 -1.32 0.00 0.00 176.35 176.77 1xqq s ARG 74 N 0.26 2.43 0.00 1.98 1.70 -1.26 -4.92 118.95 119.13 1xqq s ARG 74 Ca 0.01 1.88 0.00 0.00 -0.47 0.00 0.00 55.73 57.16 1xqq s ARG 74 Cb -0.13 -1.85 0.00 0.00 -0.57 0.00 0.00 34.95 32.40 1xqq s ARG 74 CO 0.01 -1.64 0.00 0.41 -1.08 0.00 0.00 175.30 173.00 1xqq n GLY 75 N 0.60 -0.52 0.52 3.88 0.00 -1.26 -5.30 105.19 103.11 1xqq n GLY 75 Ca 0.14 0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.44 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93