#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 3.91 0.16 2.12 0.74 -1.26 -1.05 119.66 124.28 1xqq s GLN 2 Ca 0.00 0.13 0.11 0.00 0.05 0.00 0.00 55.36 55.65 1xqq s GLN 2 Cb 0.00 -3.70 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 1xqq s GLN 2 CO 0.00 -0.44 -0.26 0.96 -0.55 0.00 0.00 175.29 175.00 1xqq s ILE 3 N 2.32 2.28 0.11 -2.34 -4.36 -1.14 0.50 121.20 118.56 1xqq s ILE 3 Ca 0.20 -1.87 0.10 0.00 -0.26 0.00 0.00 60.65 58.82 1xqq s ILE 3 Cb -0.16 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 1xqq s ILE 3 CO 0.11 -0.00 -0.23 -0.36 0.24 0.00 0.00 174.94 174.69 1xqq s PHE 4 N -1.32 2.40 -0.06 1.37 0.08 -1.01 -1.58 117.98 117.86 1xqq s PHE 4 Ca 0.17 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 56.89 1xqq s PHE 4 Cb -0.09 -1.31 -0.03 0.00 -0.57 0.00 0.00 43.02 41.02 1xqq s PHE 4 CO 0.07 0.33 -0.08 0.08 -0.10 0.00 0.00 175.22 175.53 1xqq s VAL 5 N -1.06 3.60 -0.10 -0.44 1.01 0.28 -0.51 120.40 123.18 1xqq s VAL 5 Ca 0.15 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1xqq s VAL 5 Cb -0.10 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1xqq s VAL 5 CO 0.07 0.57 -0.19 -0.75 0.00 0.00 0.00 175.10 174.80 1xqq s LYS 6 N -0.89 2.53 0.66 2.72 2.20 -0.23 -0.35 119.74 126.39 1xqq s LYS 6 Ca 0.13 -0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 55.04 1xqq s LYS 6 Cb -0.11 -2.01 0.09 0.00 -1.51 0.00 0.00 37.83 34.29 1xqq s LYS 6 CO 0.02 0.06 0.93 0.95 -0.36 0.00 0.00 175.35 176.95 1xqq s THR 7 N 0.63 2.33 0.04 3.43 -4.23 -0.10 -2.56 115.64 115.18 1xqq s THR 7 Ca -0.14 -0.57 -0.26 0.00 -1.18 0.00 0.00 61.69 59.55 1xqq s THR 7 Cb -0.16 -2.77 -0.17 0.00 1.34 0.00 0.00 72.50 70.74 1xqq s THR 7 CO 0.04 0.00 1.47 0.25 -0.54 0.00 0.00 174.62 175.84 1xqq h LEU 8 N -0.35 -0.26 0.07 4.79 5.85 -1.88 -3.40 115.31 120.12 1xqq h LEU 8 Ca -0.39 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 1xqq h LEU 8 Cb 1.28 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1xqq h LEU 8 CO 0.47 -0.02 -0.03 0.71 -0.34 0.00 0.00 178.44 179.22 1xqq h THR 9 N -0.51 0.23 0.00 1.05 1.35 -1.99 -3.48 112.91 109.57 1xqq h THR 9 Ca -0.03 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1xqq h THR 9 Cb 0.38 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 1xqq h THR 9 CO 0.05 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1xqq n GLY 10 N 1.49 -0.71 3.48 5.82 0.00 -1.26 -5.14 105.19 108.87 1xqq n GLY 10 Ca -0.02 0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 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 2.88 -0.37 1.61 1.02 -1.26 -5.00 119.74 118.63 1xqq s LYS 11 Ca 0.00 -0.64 -0.11 0.00 0.02 0.00 0.00 55.97 55.24 1xqq s LYS 11 Cb 0.00 -2.54 0.02 0.00 -0.52 0.00 0.00 37.83 34.79 1xqq s LYS 11 CO 0.00 0.50 0.20 0.99 -0.92 0.00 0.00 175.35 176.12 1xqq s THR 12 N -0.39 4.61 -0.19 2.17 2.01 -1.26 -0.92 115.64 121.67 1xqq s THR 12 Ca 0.05 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.17 1xqq s THR 12 Cb -0.12 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1xqq s THR 12 CO 0.02 -0.20 0.09 -0.63 -0.69 0.00 0.00 174.62 173.21 1xqq s ILE 13 N 1.57 5.00 -0.19 1.82 1.01 0.52 -4.91 121.20 126.02 1xqq s ILE 13 Ca 0.02 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.59 1xqq s ILE 13 Cb -0.19 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1xqq s ILE 13 CO 0.07 0.45 0.24 -0.89 0.00 0.00 0.00 174.94 174.81 1xqq s THR 14 N 0.36 5.33 0.25 2.92 2.01 -1.26 0.99 115.64 126.25 1xqq s THR 14 Ca 0.05 0.39 0.11 0.00 0.31 0.00 0.00 61.69 62.56 1xqq s THR 14 Cb -0.12 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1xqq s THR 14 CO -0.01 0.37 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.36 1xqq s LEU 15 N 0.69 2.66 -0.25 4.42 1.43 -0.62 -4.98 118.68 122.03 1xqq s LEU 15 Ca 0.13 -0.91 -0.09 0.00 -1.03 0.00 0.00 54.13 52.22 1xqq s LEU 15 Cb -0.13 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1xqq s LEU 15 CO 0.03 0.06 0.13 -0.70 0.23 0.00 0.00 176.35 176.10 1xqq s GLU 16 N -3.28 3.87 0.33 1.70 2.56 -1.26 -2.90 118.70 119.73 1xqq s GLU 16 Ca 0.28 -0.37 0.05 0.00 0.00 0.00 0.00 54.97 54.93 1xqq s GLU 16 Cb -0.06 -3.46 -0.03 0.00 2.00 0.00 0.00 34.13 32.57 1xqq s GLU 16 CO 0.14 -0.08 0.22 0.14 -0.56 0.00 0.00 175.26 175.12 1xqq s VAL 17 N 1.41 0.16 0.22 3.70 -7.23 -0.22 -4.92 120.40 113.51 1xqq s VAL 17 Ca 0.06 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.30 1xqq s VAL 17 Cb -0.15 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1xqq s VAL 17 CO 0.06 0.00 0.13 -1.61 -0.31 0.00 0.00 175.10 173.37 1xqq s GLU 18 N -3.61 2.78 0.30 4.82 2.02 -1.26 -0.00 118.70 123.74 1xqq s GLU 18 Ca 0.36 -1.05 0.24 0.00 0.02 0.00 0.00 54.97 54.54 1xqq s GLU 18 Cb 0.03 -2.51 1.08 0.00 0.10 0.00 0.00 34.13 32.83 1xqq s GLU 18 CO 0.22 0.43 1.72 -1.00 0.02 0.00 0.00 175.26 176.65 1xqq h PRO 19 N 1.96 0.00 -0.03 0.39 0.13 -1.95 -3.13 132.00 129.38 1xqq h PRO 19 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xqq h PRO 19 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xqq h PRO 19 CO 0.61 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.81 1xqq n SER 20 N -2.30 2.21 -4.78 1.44 7.64 -1.26 -1.78 113.62 114.79 1xqq n SER 20 Ca 0.01 -1.74 -0.37 0.00 1.01 0.00 0.00 58.87 57.79 1xqq n SER 20 Cb 0.17 -0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.99 7.10 0.39 6.43 1.01 -1.19 -4.86 116.67 123.57 1xqq s ASP 21 Ca 0.33 1.91 -0.21 0.00 0.71 0.00 0.00 52.55 55.29 1xqq s ASP 21 Cb 0.21 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.45 1xqq s ASP 21 CO 0.32 -0.24 0.91 0.42 0.21 0.00 0.00 175.17 176.78 1xqq s THR 22 N -1.67 4.41 0.05 -1.27 -4.23 -1.26 -2.50 115.64 109.17 1xqq s THR 22 Ca 0.54 1.45 0.15 0.00 -1.18 0.00 0.00 61.69 62.65 1xqq s THR 22 Cb -0.19 -3.68 0.04 0.00 1.34 0.00 0.00 72.50 70.01 1xqq s THR 22 CO 0.25 -0.20 1.54 0.40 -0.54 0.00 0.00 174.62 176.07 1xqq h ILE 23 N 2.06 1.05 -0.93 2.99 2.04 -1.16 -2.05 117.51 121.52 1xqq h ILE 23 Ca -0.48 -2.13 0.20 0.00 1.00 0.00 0.00 64.86 63.45 1xqq h ILE 23 Cb 1.18 2.28 -0.07 0.00 -0.74 0.00 0.00 36.82 39.47 1xqq h ILE 23 CO 0.62 0.53 0.61 1.05 0.00 0.00 0.00 178.15 180.96 1xqq h GLU 24 N 0.00 0.45 0.11 2.37 4.11 -1.11 -1.66 114.58 118.84 1xqq h GLU 24 Ca -0.01 -0.03 -0.30 0.00 0.07 0.00 0.00 59.36 59.10 1xqq h GLU 24 Cb 1.23 -0.10 0.03 0.00 0.50 0.00 0.00 28.75 30.41 1xqq h GLU 24 CO 0.07 0.30 -1.24 -0.97 0.07 0.00 0.00 179.01 177.24 1xqq h ASN 25 N 0.46 0.88 -0.98 3.06 -0.73 -1.66 -2.13 115.58 114.49 1xqq h ASN 25 Ca 0.49 -0.81 0.05 0.00 1.87 0.00 0.00 56.30 57.91 1xqq h ASN 25 Cb 1.15 -0.28 -0.06 0.00 0.27 0.00 0.00 38.32 39.40 1xqq h ASN 25 CO -0.21 1.61 0.63 0.58 -0.37 0.00 0.00 177.43 179.67 1xqq h VAL 26 N 0.29 1.12 -0.08 2.57 2.07 -1.07 -1.00 116.25 120.14 1xqq h VAL 26 Ca -0.18 -0.41 -0.19 0.00 0.82 0.00 0.00 66.70 66.74 1xqq h VAL 26 Cb 1.91 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1xqq h VAL 26 CO 0.24 0.22 -0.75 0.11 0.02 0.00 0.00 177.57 177.41 1xqq h LYS 27 N 1.19 0.45 -0.42 1.57 1.57 -1.37 -2.14 116.57 117.43 1xqq h LYS 27 Ca 0.41 -0.38 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1xqq h LYS 27 Cb 0.09 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1xqq h LYS 27 CO -0.15 1.01 -0.03 0.00 -0.57 0.00 0.00 179.45 179.71 1xqq h ALA 28 N 0.88 1.17 -0.99 3.86 0.00 -0.91 -0.45 119.26 122.81 1xqq h ALA 28 Ca -0.04 -0.26 0.25 0.00 0.00 0.00 0.00 54.91 54.87 1xqq h ALA 28 Cb 1.33 -0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 1xqq h ALA 28 CO 0.13 0.54 0.56 -0.22 0.00 0.00 0.00 179.25 180.26 1xqq h LYS 29 N 0.65 0.52 -0.03 0.00 3.64 -1.04 -0.54 116.57 119.76 1xqq h LYS 29 Ca 0.13 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.26 1xqq h LYS 29 Cb 0.45 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1xqq h LYS 29 CO 0.02 0.34 -0.88 0.82 -2.27 0.00 0.00 179.45 177.49 1xqq h ILE 30 N 0.53 1.38 -0.61 2.00 2.04 -0.69 -1.98 117.51 120.19 1xqq h ILE 30 Ca 0.64 -2.33 0.13 0.00 1.00 0.00 0.00 64.86 64.30 1xqq h ILE 30 Cb 1.24 2.31 -0.10 0.00 -0.74 0.00 0.00 36.82 39.53 1xqq h ILE 30 CO -0.50 0.70 0.03 -0.61 0.00 0.00 0.00 178.15 177.78 1xqq h GLN 31 N 0.27 0.14 -0.67 2.37 4.15 -0.28 0.84 115.11 121.92 1xqq h GLN 31 Ca -0.07 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 1xqq h GLN 31 Cb 1.50 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 29.12 1xqq h GLN 31 CO 0.15 0.09 0.24 0.22 -1.93 0.00 0.00 178.83 177.60 1xqq h ASP 32 N 0.15 0.94 0.11 -0.69 3.58 -0.80 -3.07 116.42 116.62 1xqq h ASP 32 Ca 0.32 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1xqq h ASP 32 Cb 0.52 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1xqq h ASP 32 CO -0.50 0.86 -0.05 0.50 -2.88 0.00 0.00 179.24 177.17 1xqq h LYS 33 N 0.98 -0.14 0.00 0.28 1.63 -1.20 -3.45 116.57 114.68 1xqq h LYS 33 Ca 0.22 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1xqq h LYS 33 Cb 0.24 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1xqq h LYS 33 CO -0.01 -0.09 0.00 0.39 -3.45 0.00 0.00 179.45 176.28 1xqq n GLU 34 N -2.87 0.00 0.00 1.90 -0.58 0.27 -5.09 120.64 114.28 1xqq n GLU 34 Ca -0.02 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1xqq n GLU 34 Cb 0.06 -0.41 0.00 0.00 -0.57 0.00 0.00 31.44 30.51 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 1.82 -0.12 2.79 0.62 0.00 -1.14 -5.01 105.19 104.16 1xqq n GLY 35 Ca 0.00 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.61 0.82 -0.61 1.01 -1.26 -4.99 121.20 116.78 1xqq s ILE 36 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 1xqq s ILE 36 Cb 0.00 -0.86 0.06 0.00 0.01 0.00 0.00 42.46 41.67 1xqq s ILE 36 CO 0.00 0.11 0.98 -2.65 0.00 0.00 0.00 174.94 173.37 1xqq n PRO 37 N 5.05 0.10 0.12 2.79 -0.02 -1.26 -3.72 135.00 138.06 1xqq n PRO 37 Ca -0.09 0.10 0.13 0.00 -2.02 0.00 0.00 63.50 61.62 1xqq n PRO 37 Cb 0.49 -2.25 0.40 0.00 -0.02 0.00 0.00 33.50 32.12 1xqq n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1xqq h PRO 38 N -0.97 0.00 -0.04 0.52 0.13 -1.93 -2.57 132.00 127.15 1xqq h PRO 38 Ca -0.46 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 1xqq h PRO 38 Cb 1.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 1xqq h PRO 38 CO 0.43 0.00 -0.73 0.38 -0.23 0.00 0.00 178.00 177.85 1xqq h ASP 39 N 0.00 0.71 0.57 1.44 2.03 -1.95 -3.30 116.42 115.92 1xqq h ASP 39 Ca 0.00 -0.71 -0.06 0.00 -0.73 0.00 0.00 57.03 55.53 1xqq h ASP 39 Cb 0.71 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.99 1xqq h ASP 39 CO 0.00 1.32 -0.28 -0.61 -1.03 0.00 0.00 179.24 178.64 1xqq h GLN 40 N 0.16 0.00 -6.22 4.15 4.15 -1.75 -3.43 115.11 112.17 1xqq h GLN 40 Ca -0.08 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.78 1xqq h GLN 40 Cb 1.40 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.05 1xqq h GLN 40 CO 0.15 0.28 0.07 -0.65 -1.93 0.00 0.00 178.83 176.75 1xqq s GLN 41 N -3.95 4.40 -0.18 1.69 -0.21 -1.03 -1.15 119.66 119.22 1xqq s GLN 41 Ca -0.02 0.90 0.01 0.00 0.02 0.00 0.00 55.36 56.28 1xqq s GLN 41 Cb 0.12 -3.33 0.03 0.00 1.00 0.00 0.00 33.01 30.83 1xqq s GLN 41 CO 0.66 0.38 -0.17 0.50 -2.12 0.00 0.00 175.29 174.54 1xqq s ARG 42 N -0.30 2.69 -0.25 2.91 3.52 -0.76 -4.92 118.95 121.84 1xqq s ARG 42 Ca 0.34 -0.82 -0.17 0.00 -0.13 0.00 0.00 55.73 54.95 1xqq s ARG 42 Cb -0.20 -2.48 -0.03 0.00 -1.56 0.00 0.00 34.95 30.68 1xqq s ARG 42 CO 0.20 -0.27 0.46 -0.51 -0.81 0.00 0.00 175.30 174.38 1xqq s LEU 43 N 1.32 4.07 -0.12 -0.88 1.43 -1.26 -1.02 118.68 122.22 1xqq s LEU 43 Ca 0.03 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.58 1xqq s LEU 43 Cb -0.14 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 1xqq s LEU 43 CO -0.11 -0.22 -0.04 -0.63 0.23 0.00 0.00 176.35 175.57 1xqq s ILE 44 N 2.07 3.87 0.00 -0.59 1.01 0.36 -4.60 121.20 123.33 1xqq s ILE 44 Ca 0.19 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1xqq s ILE 44 Cb -0.16 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1xqq s ILE 44 CO 0.09 0.54 0.00 0.33 0.00 0.00 0.00 174.94 175.90 1xqq n PHE 45 N 2.98 0.00 -0.04 3.97 7.35 -1.26 -0.77 117.46 129.69 1xqq n PHE 45 Ca -0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 1xqq n PHE 45 Cb 0.53 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 40.21 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 -1.91 0.00 0.27 3.13 0.00 -1.26 -4.67 120.51 116.08 1xqq n ALA 46 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1xqq n ALA 46 Cb 0.00 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.23 1xqq n ALA 46 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xqq h GLY 47 N 0.00 0.00 -1.17 0.00 0.00 -2.04 -3.46 103.07 96.40 1xqq h GLY 47 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1xqq h GLY 47 CO 0.00 0.00 0.38 0.54 0.00 0.00 0.00 176.54 177.46 1xqq s LYS 48 N -4.12 2.71 0.03 4.80 1.02 -1.26 -5.05 119.74 117.88 1xqq s LYS 48 Ca -0.03 0.70 -0.25 0.00 0.02 0.00 0.00 55.97 56.42 1xqq s LYS 48 Cb 0.13 -1.98 -0.05 0.00 -0.52 0.00 0.00 37.83 35.40 1xqq s LYS 48 CO 0.56 -1.20 0.76 -0.65 -0.92 0.00 0.00 175.35 173.91 1xqq s GLN 49 N -5.17 4.49 -0.10 1.68 -1.52 -1.26 -4.78 119.66 112.99 1xqq s GLN 49 Ca 0.59 1.05 -0.16 0.00 -1.95 0.00 0.00 55.36 54.88 1xqq s GLN 49 Cb -0.13 -3.37 -0.05 0.00 -0.22 0.00 0.00 33.01 29.24 1xqq s GLN 49 CO 0.54 0.25 0.42 -0.51 -0.25 0.00 0.00 175.29 175.73 1xqq s LEU 50 N 0.07 4.32 -0.23 2.90 1.43 -1.26 -5.06 118.68 120.85 1xqq s LEU 50 Ca 0.39 0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 54.10 1xqq s LEU 50 Cb -0.20 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 1xqq s LEU 50 CO 0.22 0.11 0.46 -0.70 0.23 0.00 0.00 176.35 176.68 1xqq s GLU 51 N 0.12 4.12 0.47 1.70 2.12 -1.26 -4.98 118.70 120.98 1xqq s GLU 51 Ca 0.23 0.27 0.24 0.00 0.36 0.00 0.00 54.97 56.07 1xqq s GLU 51 Cb -0.15 -3.60 1.13 0.00 0.26 0.00 0.00 34.13 31.76 1xqq s GLU 51 CO 0.10 -0.21 1.93 -0.44 -0.54 0.00 0.00 175.26 176.10 1xqq h ASP 52 N 7.75 0.00 0.19 -1.70 3.32 -1.95 -3.05 116.42 120.96 1xqq h ASP 52 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1xqq h ASP 52 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1xqq h ASP 52 CO 0.71 0.21 -0.08 0.61 -1.72 0.00 0.00 179.24 178.97 1xqq n GLY 53 N -0.29 -0.67 2.63 2.75 0.00 -1.26 -0.54 105.19 107.81 1xqq n GLY 53 Ca -0.01 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.64 0.83 -3.07 1.61 1.74 -1.15 -4.89 116.66 111.09 1xqq n ARG 54 Ca 0.17 -2.24 -0.20 0.00 -0.77 0.00 0.00 57.85 54.82 1xqq n ARG 54 Cb 0.27 0.04 0.06 0.00 -1.02 0.00 0.00 32.46 31.81 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 -1.65 2.17 0.26 0.55 -4.23 -1.26 -2.64 115.64 108.83 1xqq s THR 55 Ca 0.31 -1.02 -0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1xqq s THR 55 Cb -0.02 -2.19 0.07 0.00 1.34 0.00 0.00 72.50 71.69 1xqq s THR 55 CO 0.20 0.00 1.70 -0.07 -0.54 0.00 0.00 174.62 175.91 1xqq h LEU 56 N 0.23 0.63 -0.37 4.79 3.38 -1.58 -3.12 115.31 119.27 1xqq h LEU 56 Ca -0.31 -0.20 -0.19 0.00 0.09 0.00 0.00 57.88 57.27 1xqq h LEU 56 Cb 1.29 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1xqq h LEU 56 CO 0.42 0.82 -0.69 -1.28 0.09 0.00 0.00 178.44 177.80 1xqq h SER 57 N 0.56 0.65 -0.42 -0.43 0.87 -1.59 0.41 113.55 113.61 1xqq h SER 57 Ca 0.09 -0.40 -0.11 0.00 -1.23 0.00 0.00 61.79 60.14 1xqq h SER 57 Cb 0.64 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1xqq h SER 57 CO 0.05 1.15 -0.13 0.44 -0.53 0.00 0.00 176.83 177.81 1xqq h ASP 58 N 0.40 0.88 0.23 6.23 3.32 -1.86 -2.08 116.42 123.54 1xqq h ASP 58 Ca -0.02 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1xqq h ASP 58 Cb 1.27 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1xqq h ASP 58 CO 0.13 1.01 -0.18 -1.22 -1.72 0.00 0.00 179.24 177.27 1xqq n TYR 59 N -4.15 0.00 -3.37 4.55 4.01 -1.18 -4.96 117.16 112.06 1xqq n TYR 59 Ca 0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.56 1xqq n TYR 59 Cb 0.39 -0.12 0.06 0.00 -0.31 0.00 0.00 39.34 39.37 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 -0.62 -5.83 -4.40 7.72 4.13 -0.06 -4.97 115.26 111.24 1xqq n ASN 60 Ca 0.14 -0.77 -0.42 0.00 1.68 0.00 0.00 54.58 55.21 1xqq n ASN 60 Cb 0.33 -4.79 -0.10 0.00 -1.54 0.00 0.00 39.78 33.68 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 -3.41 4.90 0.40 2.41 -1.09 0.13 -4.99 121.20 119.55 1xqq s ILE 61 Ca 0.41 -0.87 0.08 0.00 -2.23 0.00 0.00 60.65 58.04 1xqq s ILE 61 Cb -0.08 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 1xqq s ILE 61 CO 0.77 -0.34 0.31 -1.10 -1.23 0.00 0.00 174.94 173.34 1xqq s GLN 62 N 1.60 2.46 0.22 2.79 -0.21 -1.26 -4.56 119.66 120.70 1xqq s GLN 62 Ca 0.03 -1.59 -0.29 0.00 0.02 0.00 0.00 55.36 53.53 1xqq s GLN 62 Cb -0.20 -2.28 -0.16 0.00 1.00 0.00 0.00 33.01 31.37 1xqq s GLN 62 CO 0.08 -0.13 0.81 0.36 -2.12 0.00 0.00 175.29 174.29 1xqq n LYS 63 N -1.43 0.64 -0.81 2.91 2.85 -1.26 -2.72 118.16 118.33 1xqq n LYS 63 Ca 0.02 0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1xqq n LYS 63 Cb 0.62 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.55 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 1.03 -1.22 -1.91 -1.58 1.02 0.18 -4.97 120.64 113.18 1xqq n GLU 64 Ca 0.15 0.31 -0.40 0.00 -0.02 0.00 0.00 57.16 57.19 1xqq n GLU 64 Cb 0.26 -4.79 -0.00 0.00 -0.02 0.00 0.00 31.44 26.89 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 -2.00 6.36 -0.24 1.62 0.01 -1.10 -4.78 113.70 113.57 1xqq s SER 65 Ca 0.00 2.89 -0.08 0.00 1.31 0.00 0.00 55.95 60.07 1xqq s SER 65 Cb 0.00 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1xqq s SER 65 CO 0.00 -0.84 0.10 -0.89 0.41 0.00 0.00 173.24 172.02 1xqq s THR 66 N -1.16 4.69 0.43 1.44 2.01 -1.26 -2.39 115.64 119.41 1xqq s THR 66 Ca 0.54 -0.05 -0.09 0.00 0.31 0.00 0.00 61.69 62.40 1xqq s THR 66 Cb -0.43 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 1xqq s THR 66 CO 0.58 0.34 0.78 -0.76 -0.69 0.00 0.00 174.62 174.87 1xqq s LEU 67 N 1.36 3.75 -0.17 4.42 1.43 0.33 -4.85 118.68 124.96 1xqq s LEU 67 Ca 0.06 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.26 1xqq s LEU 67 Cb -0.15 -4.00 0.02 0.00 0.03 0.00 0.00 46.19 42.10 1xqq s LEU 67 CO 0.05 -0.46 -0.18 -2.28 0.23 0.00 0.00 176.35 173.70 1xqq s HIS 68 N -2.50 2.58 -0.16 0.29 2.46 0.05 -1.06 115.29 116.94 1xqq s HIS 68 Ca 0.50 -1.49 -0.25 0.00 0.47 0.00 0.00 55.06 54.29 1xqq s HIS 68 Cb -0.10 -1.81 -0.02 0.00 -0.13 0.00 0.00 32.58 30.52 1xqq s HIS 68 CO 0.36 -0.75 0.83 -1.17 -2.47 0.00 0.00 174.74 171.53 1xqq s LEU 69 N 1.32 4.19 -0.11 8.88 2.96 -1.06 -0.48 118.68 134.38 1xqq s LEU 69 Ca 0.04 1.18 0.03 0.00 -0.22 0.00 0.00 54.13 55.16 1xqq s LEU 69 Cb -0.13 -3.23 0.01 0.00 0.50 0.00 0.00 46.19 43.34 1xqq s LEU 69 CO -0.12 -0.38 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.64 1xqq s VAL 70 N 2.06 1.82 0.28 1.68 1.01 -0.18 -4.53 120.40 122.52 1xqq s VAL 70 Ca 0.38 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 1xqq s VAL 70 Cb -0.17 -1.60 -0.10 0.00 0.00 0.00 0.00 36.38 34.51 1xqq s VAL 70 CO 0.13 0.50 1.41 -0.76 0.00 0.00 0.00 175.10 176.39 1xqq s LEU 71 N 0.64 4.39 0.14 3.92 2.01 -1.26 -1.82 118.68 126.69 1xqq s LEU 71 Ca -0.13 2.70 0.11 0.00 0.01 0.00 0.00 54.13 56.82 1xqq s LEU 71 Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 46.19 42.36 1xqq s LEU 71 CO 0.03 -0.68 -0.25 -0.60 1.01 0.00 0.00 176.35 175.87 1xqq s ARG 72 N -0.83 1.48 -0.03 1.70 3.52 -0.30 -4.90 118.95 119.60 1xqq s ARG 72 Ca 0.56 -1.35 -0.01 0.00 -0.13 0.00 0.00 55.73 54.81 1xqq s ARG 72 Cb -0.42 -1.93 -0.00 0.00 -1.56 0.00 0.00 34.95 31.04 1xqq s ARG 72 CO 0.47 0.45 -0.02 -0.07 -0.81 0.00 0.00 175.30 175.32 1xqq h LEU 73 N 3.76 0.00 -7.30 -0.88 3.38 -1.95 -3.44 115.31 108.88 1xqq h LEU 73 Ca -0.50 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.37 1xqq h LEU 73 Cb 1.18 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.71 1xqq h LEU 73 CO 0.41 0.14 -0.14 -0.60 0.09 0.00 0.00 178.44 178.34 1xqq s ARG 74 N -1.20 0.66 0.00 1.13 3.52 -1.26 -4.92 118.95 116.88 1xqq s ARG 74 Ca -0.02 0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.91 1xqq s ARG 74 Cb 0.00 0.31 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 1xqq s ARG 74 CO 0.02 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.78 1xqq n GLY 75 N 2.05 -1.85 0.00 8.12 0.00 -1.26 -5.19 105.19 107.06 1xqq n GLY 75 Ca -0.17 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93