#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 4.32 0.16 3.17 0.74 -1.26 -1.01 119.66 125.78 1xqq s GLN 2 Ca 0.00 0.38 0.09 0.00 0.05 0.00 0.00 55.36 55.88 1xqq s GLN 2 Cb 0.00 -3.44 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 1xqq s GLN 2 CO 0.00 0.16 -0.20 0.96 -0.55 0.00 0.00 175.29 175.66 1xqq s ILE 3 N 0.64 1.89 -0.08 -2.34 -4.36 -0.15 -0.50 121.20 116.31 1xqq s ILE 3 Ca 0.24 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 1xqq s ILE 3 Cb -0.15 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.70 1xqq s ILE 3 CO 0.09 -0.24 -0.14 -0.36 0.24 0.00 0.00 174.94 174.53 1xqq s PHE 4 N -1.84 2.74 -0.34 1.37 0.08 -0.47 -1.72 117.98 117.80 1xqq s PHE 4 Ca 0.15 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.87 1xqq s PHE 4 Cb -0.07 -1.71 0.09 0.00 -0.57 0.00 0.00 43.02 40.76 1xqq s PHE 4 CO 0.07 0.04 0.05 0.08 -0.10 0.00 0.00 175.22 175.36 1xqq s VAL 5 N -0.33 2.64 0.21 -0.44 1.01 0.51 -0.21 120.40 123.80 1xqq s VAL 5 Ca 0.03 -1.99 -0.04 0.00 0.00 0.00 0.00 61.98 59.98 1xqq s VAL 5 Cb -0.13 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1xqq s VAL 5 CO 0.02 -0.44 0.45 -0.75 0.00 0.00 0.00 175.10 174.38 1xqq s LYS 6 N 1.06 3.61 0.51 2.72 2.20 0.39 -0.53 119.74 129.70 1xqq s LYS 6 Ca 0.04 -0.10 0.07 0.00 -0.36 0.00 0.00 55.97 55.62 1xqq s LYS 6 Cb -0.20 -2.76 0.03 0.00 -1.51 0.00 0.00 37.83 33.38 1xqq s LYS 6 CO -0.05 0.35 0.48 0.95 -0.36 0.00 0.00 175.35 176.72 1xqq s THR 7 N -1.87 2.09 -0.11 3.43 -4.23 -1.26 -2.68 115.64 111.02 1xqq s THR 7 Ca 0.42 -1.34 -0.24 0.00 -1.18 0.00 0.00 61.69 59.35 1xqq s THR 7 Cb -0.11 -2.42 -0.21 0.00 1.34 0.00 0.00 72.50 71.10 1xqq s THR 7 CO 0.27 0.00 0.77 0.25 -0.54 0.00 0.00 174.62 175.37 1xqq h LEU 8 N 0.72 -0.03 0.77 4.79 5.85 -1.97 -3.40 115.31 122.04 1xqq h LEU 8 Ca -0.37 -0.72 -0.04 0.00 0.84 0.00 0.00 57.88 57.60 1xqq h LEU 8 Cb 1.29 0.01 0.01 0.00 0.37 0.00 0.00 40.66 42.33 1xqq h LEU 8 CO 0.54 0.78 -0.37 0.71 -0.34 0.00 0.00 178.44 179.76 1xqq h THR 9 N -0.91 0.03 0.00 1.05 1.35 -1.98 -3.49 112.91 108.97 1xqq h THR 9 Ca -0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1xqq h THR 9 Cb 0.74 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1xqq h THR 9 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1xqq n GLY 10 N -0.90 0.89 3.52 5.82 0.00 -1.26 -5.10 105.19 108.16 1xqq n GLY 10 Ca -0.13 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 3.20 0.18 1.61 2.20 -1.26 -4.68 119.74 120.99 1xqq s LYS 11 Ca 0.00 -0.55 -0.33 0.00 -0.36 0.00 0.00 55.97 54.73 1xqq s LYS 11 Cb 0.00 -4.30 -0.15 0.00 -1.51 0.00 0.00 37.83 31.87 1xqq s LYS 11 CO 0.00 -2.03 1.30 2.41 -0.36 0.00 0.00 175.35 176.66 1xqq n THR 12 N 6.24 0.71 -3.39 3.43 -1.04 -1.26 -4.68 114.28 114.28 1xqq n THR 12 Ca 0.04 -0.18 -0.37 0.00 -2.04 0.00 0.00 64.05 61.50 1xqq n THR 12 Cb 0.48 -1.09 -0.06 0.00 -1.82 0.00 0.00 70.33 67.83 1xqq n THR 12 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1xqq s ILE 13 N 0.04 5.23 -0.25 12.58 1.01 0.31 -4.96 121.20 135.16 1xqq s ILE 13 Ca 0.74 0.81 0.02 0.00 0.00 0.00 0.00 60.65 62.22 1xqq s ILE 13 Cb -0.79 -3.75 0.05 0.00 0.01 0.00 0.00 42.46 37.98 1xqq s ILE 13 CO 0.49 0.35 -0.11 -0.89 0.00 0.00 0.00 174.94 174.77 1xqq s THR 14 N 0.59 2.22 0.10 2.92 2.01 -1.26 -0.36 115.64 121.85 1xqq s THR 14 Ca 0.22 -1.52 0.07 0.00 0.31 0.00 0.00 61.69 60.78 1xqq s THR 14 Cb -0.14 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1xqq s THR 14 CO 0.08 0.05 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.17 1xqq s LEU 15 N 1.14 2.95 -0.13 4.42 1.43 -0.70 -5.01 118.68 122.78 1xqq s LEU 15 Ca -0.07 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1xqq s LEU 15 Cb -0.19 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1xqq s LEU 15 CO -0.06 0.18 0.05 -1.61 0.23 0.00 0.00 176.35 175.14 1xqq s GLU 16 N -2.14 3.42 0.31 1.70 2.02 -1.26 -0.98 118.70 121.77 1xqq s GLU 16 Ca 0.20 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 54.88 1xqq s GLU 16 Cb -0.11 -3.01 -0.05 0.00 0.10 0.00 0.00 34.13 31.07 1xqq s GLU 16 CO 0.12 0.56 0.11 0.14 0.02 0.00 0.00 175.26 176.22 1xqq s VAL 17 N -0.46 0.62 0.11 2.63 -7.23 -0.18 -4.91 120.40 110.98 1xqq s VAL 17 Ca 0.09 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 1xqq s VAL 17 Cb -0.12 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1xqq s VAL 17 CO 0.02 0.00 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.09 1xqq s GLU 18 N -3.89 2.09 0.00 4.82 2.02 -1.26 -0.21 118.70 122.27 1xqq s GLU 18 Ca 0.35 -1.06 0.23 0.00 0.02 0.00 0.00 54.97 54.51 1xqq s GLU 18 Cb 0.06 -2.28 1.27 0.00 0.10 0.00 0.00 34.13 33.29 1xqq s GLU 18 CO 0.15 0.50 1.76 -0.35 0.02 0.00 0.00 175.26 177.34 1xqq n PRO 19 N 0.64 0.52 0.21 0.39 -0.04 -1.26 -0.37 135.00 135.09 1xqq n PRO 19 Ca -0.13 0.04 0.08 0.00 -0.04 0.00 0.00 63.50 63.44 1xqq n PRO 19 Cb 0.53 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.91 1xqq n PRO 19 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xqq h SER 20 N 0.00 0.00 -4.10 3.54 4.64 -1.99 -3.23 113.55 112.42 1xqq h SER 20 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1xqq h SER 20 Cb 0.11 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.29 1xqq h SER 20 CO 0.00 0.30 0.44 -1.81 -0.87 0.00 0.00 176.83 174.89 1xqq s ASP 21 N -6.36 5.44 0.28 4.97 1.01 0.50 -4.74 116.67 117.77 1xqq s ASP 21 Ca -0.00 2.25 0.04 0.00 0.71 0.00 0.00 52.55 55.55 1xqq s ASP 21 Cb 0.11 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1xqq s ASP 21 CO 0.66 -1.42 0.43 0.42 0.21 0.00 0.00 175.17 175.48 1xqq s THR 22 N -1.74 5.10 0.47 -1.27 -4.23 -1.26 -1.77 115.64 110.94 1xqq s THR 22 Ca 0.74 -0.82 0.23 0.00 -1.18 0.00 0.00 61.69 60.66 1xqq s THR 22 Cb -0.26 -3.82 0.41 0.00 1.34 0.00 0.00 72.50 70.17 1xqq s THR 22 CO 0.31 -0.39 1.90 0.40 -0.54 0.00 0.00 174.62 176.29 1xqq h ILE 23 N 1.00 0.66 -0.33 2.99 1.08 -0.94 -1.45 117.51 120.52 1xqq h ILE 23 Ca -0.51 -0.07 0.07 0.00 -0.39 0.00 0.00 64.86 63.96 1xqq h ILE 23 Cb 1.23 0.43 -0.07 0.00 -3.07 0.00 0.00 36.82 35.33 1xqq h ILE 23 CO 0.60 0.04 -0.16 -0.08 -0.69 0.00 0.00 178.15 177.87 1xqq h GLU 24 N 0.22 -0.10 -0.26 2.37 4.81 -1.48 -2.46 114.58 117.68 1xqq h GLU 24 Ca 0.41 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.60 1xqq h GLU 24 Cb 1.27 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1xqq h GLU 24 CO -0.09 -0.07 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.18 1xqq h ASN 25 N -0.10 0.37 -0.52 1.04 4.21 -1.60 -1.99 115.58 116.97 1xqq h ASN 25 Ca 0.17 -0.06 -0.06 0.00 1.21 0.00 0.00 56.30 57.56 1xqq h ASN 25 Cb 0.36 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.44 1xqq h ASN 25 CO -0.40 0.46 0.12 0.58 -1.29 0.00 0.00 177.43 176.90 1xqq h VAL 26 N 0.38 1.24 -0.40 2.81 2.07 -1.16 -2.02 116.25 119.17 1xqq h VAL 26 Ca 0.08 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 1xqq h VAL 26 Cb 0.31 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1xqq h VAL 26 CO 0.01 0.33 -0.13 0.11 0.02 0.00 0.00 177.57 177.91 1xqq h LYS 27 N 0.86 0.72 0.00 1.57 1.57 -0.91 -2.89 116.57 117.49 1xqq h LYS 27 Ca 0.18 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1xqq h LYS 27 Cb 0.33 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1xqq h LYS 27 CO 0.00 0.82 0.00 0.00 -0.57 0.00 0.00 179.45 179.70 1xqq h ALA 28 N 1.21 1.00 0.00 3.86 0.00 -1.03 -1.76 119.26 122.54 1xqq h ALA 28 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xqq h ALA 28 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xqq h ALA 28 CO 0.04 0.00 -1.11 1.63 0.00 0.00 0.00 179.25 179.81 1xqq n LYS 29 N -2.97 0.60 0.08 0.00 5.02 -0.79 -2.20 118.16 117.89 1xqq n LYS 29 Ca 0.01 0.08 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 1xqq n LYS 29 Cb 0.32 -1.79 -0.04 0.00 -0.02 0.00 0.00 35.03 33.50 1xqq n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xqq h ILE 30 N 0.00 1.47 -0.42 -0.18 2.04 -1.22 0.20 117.51 119.40 1xqq h ILE 30 Ca 0.00 -2.64 0.08 0.00 1.00 0.00 0.00 64.86 63.30 1xqq h ILE 30 Cb 0.99 2.53 -0.07 0.00 -0.74 0.00 0.00 36.82 39.53 1xqq h ILE 30 CO 0.00 0.78 -0.02 -0.61 0.00 0.00 0.00 178.15 178.30 1xqq h GLN 31 N 0.15 0.08 0.21 2.37 4.15 -1.24 0.15 115.11 120.98 1xqq h GLN 31 Ca -0.07 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1xqq h GLN 31 Cb 1.61 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.28 1xqq h GLN 31 CO 0.16 0.05 -0.10 0.22 -1.93 0.00 0.00 178.83 177.23 1xqq h ASP 32 N 0.08 -0.24 0.05 -0.69 3.58 -1.37 -2.98 116.42 114.85 1xqq h ASP 32 Ca 0.21 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1xqq h ASP 32 Cb 0.30 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1xqq h ASP 32 CO -0.36 0.09 -0.02 0.50 -2.88 0.00 0.00 179.24 176.56 1xqq h LYS 33 N -0.59 -0.06 0.00 0.28 3.64 -0.41 -3.43 116.57 116.01 1xqq h LYS 33 Ca -0.03 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1xqq h LYS 33 Cb 0.43 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1xqq h LYS 33 CO 0.05 -0.04 -0.76 0.93 -2.27 0.00 0.00 179.45 177.36 1xqq h GLU 34 N -0.10 0.00 0.00 1.90 4.39 -0.93 -3.50 114.58 116.34 1xqq h GLU 34 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1xqq h GLU 34 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1xqq h GLU 34 CO 0.01 0.60 0.00 0.41 -1.16 0.00 0.00 179.01 178.87 1xqq n GLY 35 N 1.54 0.72 3.12 -3.84 0.00 -0.52 -5.01 105.19 101.20 1xqq n GLY 35 Ca -0.19 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.35 1.91 0.03 -0.61 1.01 -1.25 -5.00 121.20 116.94 1xqq s ILE 36 Ca 0.00 -0.87 -0.34 0.00 0.00 0.00 0.00 60.65 59.43 1xqq s ILE 36 Cb 0.00 -1.71 -0.13 0.00 0.01 0.00 0.00 42.46 40.63 1xqq s ILE 36 CO 0.00 0.52 1.71 -2.65 0.00 0.00 0.00 174.94 174.52 1xqq n PRO 37 N 4.27 2.09 0.06 2.79 -0.02 -1.26 -3.61 135.00 139.33 1xqq n PRO 37 Ca -0.20 0.76 0.20 0.00 -2.02 0.00 0.00 63.50 62.24 1xqq n PRO 37 Cb 0.51 -2.55 0.73 0.00 -0.02 0.00 0.00 33.50 32.16 1xqq n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1xqq h PRO 38 N 7.38 0.00 -0.96 0.52 0.11 -1.95 -1.64 132.00 135.47 1xqq h PRO 38 Ca -0.47 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.84 1xqq h PRO 38 Cb 1.27 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 1xqq h PRO 38 CO 0.91 0.00 0.61 0.38 -0.21 0.00 0.00 178.00 179.69 1xqq h ASP 39 N 0.00 0.59 0.51 -2.05 2.03 -1.98 -2.60 116.42 112.92 1xqq h ASP 39 Ca 0.20 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 1xqq h ASP 39 Cb 0.92 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.37 1xqq h ASP 39 CO -0.00 0.22 -0.27 0.00 -1.03 0.00 0.00 179.24 178.16 1xqq n GLN 40 N -4.62 0.32 -3.27 4.15 6.02 -0.62 -4.85 117.38 114.52 1xqq n GLN 40 Ca 0.21 -0.15 -0.38 0.00 -0.01 0.00 0.00 57.00 56.68 1xqq n GLN 40 Cb 0.64 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.34 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 -2.78 4.17 -0.00 -1.09 -0.21 -0.98 -0.72 119.66 118.05 1xqq s GLN 41 Ca 0.18 0.71 0.03 0.00 0.02 0.00 0.00 55.36 56.30 1xqq s GLN 41 Cb 0.19 -3.15 -0.01 0.00 1.00 0.00 0.00 33.01 31.04 1xqq s GLN 41 CO 0.58 0.59 -0.10 0.50 -2.12 0.00 0.00 175.29 174.74 1xqq s ARG 42 N -1.35 0.77 -0.10 2.91 3.52 -1.06 -4.95 118.95 118.69 1xqq s ARG 42 Ca 0.32 -0.38 0.03 0.00 -0.13 0.00 0.00 55.73 55.57 1xqq s ARG 42 Cb -0.18 -0.74 -0.00 0.00 -1.56 0.00 0.00 34.95 32.46 1xqq s ARG 42 CO 0.19 0.20 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.15 1xqq s LEU 43 N -0.34 2.21 -0.07 -0.88 1.43 -1.26 -0.98 118.68 118.80 1xqq s LEU 43 Ca 0.03 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1xqq s LEU 43 Cb -0.04 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 1xqq s LEU 43 CO -0.00 0.17 -0.21 -0.51 0.23 0.00 0.00 176.35 176.03 1xqq s ILE 44 N 0.28 1.75 -0.04 -0.59 2.07 -0.51 -4.75 121.20 119.42 1xqq s ILE 44 Ca -0.16 -0.87 -0.01 0.00 -1.41 0.00 0.00 60.65 58.20 1xqq s ILE 44 Cb -0.17 -1.51 -0.00 0.00 0.13 0.00 0.00 42.46 40.91 1xqq s ILE 44 CO 0.08 0.49 -0.02 0.15 -1.91 0.00 0.00 174.94 173.74 1xqq h PHE 45 N 6.42 0.00 0.00 3.50 3.57 -1.87 -1.66 116.94 126.90 1xqq h PHE 45 Ca -0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1xqq h PHE 45 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1xqq h PHE 45 CO 0.45 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.53 1xqq n ALA 46 N -2.37 2.07 0.00 2.41 0.00 -1.26 -4.82 120.51 116.54 1xqq n ALA 46 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xqq n ALA 46 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 3.49 0.17 3.76 0.00 0.00 -1.26 -5.12 105.19 106.23 1xqq n GLY 47 Ca 0.00 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.06 4.59 0.09 1.61 2.20 -1.26 -5.01 119.74 120.90 1xqq s LYS 48 Ca 0.00 1.19 -0.30 0.00 -0.36 0.00 0.00 55.97 56.50 1xqq s LYS 48 Cb 0.00 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 1xqq s LYS 48 CO 0.00 0.46 0.96 -1.14 -0.36 0.00 0.00 175.35 175.26 1xqq s GLN 49 N -0.76 4.67 0.26 4.03 -0.44 -1.26 -4.81 119.66 121.36 1xqq s GLN 49 Ca 0.38 1.43 -0.09 0.00 -2.50 0.00 0.00 55.36 54.58 1xqq s GLN 49 Cb -0.23 -3.39 -0.07 0.00 -1.64 0.00 0.00 33.01 27.68 1xqq s GLN 49 CO 0.26 0.17 0.58 -0.51 0.50 0.00 0.00 175.29 176.30 1xqq s LEU 50 N 0.16 4.12 -0.14 3.68 1.43 -1.26 -5.10 118.68 121.56 1xqq s LEU 50 Ca 0.47 0.93 -0.07 0.00 -1.03 0.00 0.00 54.13 54.43 1xqq s LEU 50 Cb -0.23 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.24 1xqq s LEU 50 CO 0.29 -0.13 0.13 -1.61 0.23 0.00 0.00 176.35 175.26 1xqq s GLU 51 N -3.03 3.60 -0.05 1.70 2.02 -1.26 -5.03 118.70 116.66 1xqq s GLU 51 Ca 0.48 -0.18 -0.26 0.00 0.02 0.00 0.00 54.97 55.03 1xqq s GLU 51 Cb -0.11 -3.22 -0.21 0.00 0.10 0.00 0.00 34.13 30.69 1xqq s GLU 51 CO 0.23 0.65 1.12 -0.44 0.02 0.00 0.00 175.26 176.84 1xqq h ASP 52 N 5.45 -0.02 -0.67 -0.19 3.32 -1.99 -3.03 116.42 119.29 1xqq h ASP 52 Ca -0.51 -0.59 -0.43 0.00 0.02 0.00 0.00 57.03 55.52 1xqq h ASP 52 Cb 1.21 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.56 1xqq h ASP 52 CO 0.62 0.59 0.56 0.61 -1.72 0.00 0.00 179.24 179.90 1xqq n GLY 53 N 0.57 4.52 3.90 2.75 0.00 -1.26 -1.33 105.19 114.33 1xqq n GLY 53 Ca -0.09 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.49 3.66 0.49 1.61 0.52 -1.15 -4.98 118.95 116.61 1xqq s ARG 54 Ca 0.42 0.01 0.06 0.00 -0.52 0.00 0.00 55.73 55.71 1xqq s ARG 54 Cb 0.34 -2.71 0.03 0.00 0.52 0.00 0.00 34.95 33.13 1xqq s ARG 54 CO 0.01 0.31 0.67 0.95 0.02 0.00 0.00 175.30 177.27 1xqq s THR 55 N -1.90 2.76 0.19 0.02 -4.23 -1.26 -1.74 115.64 109.47 1xqq s THR 55 Ca 0.43 -0.90 -0.12 0.00 -1.18 0.00 0.00 61.69 59.92 1xqq s THR 55 Cb -0.11 -2.86 0.12 0.00 1.34 0.00 0.00 72.50 70.99 1xqq s THR 55 CO 0.27 0.00 1.71 -0.07 -0.54 0.00 0.00 174.62 175.99 1xqq h LEU 56 N 0.38 -0.01 0.00 4.79 3.38 -1.41 -2.89 115.31 119.56 1xqq h LEU 56 Ca -0.39 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1xqq h LEU 56 Cb 1.28 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1xqq h LEU 56 CO 0.46 0.02 -0.28 -0.24 0.09 0.00 0.00 178.44 178.49 1xqq n SER 57 N -5.12 0.39 -0.04 -0.43 2.88 -1.22 -1.39 113.62 108.69 1xqq n SER 57 Ca 0.06 0.18 -0.11 0.00 -1.33 0.00 0.00 58.87 57.67 1xqq n SER 57 Cb 0.26 -0.16 -0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1xqq n SER 57 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1xqq h ASP 58 N 0.00 0.22 -0.46 -3.46 3.58 -1.82 -3.07 116.42 111.41 1xqq h ASP 58 Ca 0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1xqq h ASP 58 Cb 0.57 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1xqq h ASP 58 CO 0.00 0.37 0.00 -1.22 -2.88 0.00 0.00 179.24 175.51 1xqq n TYR 59 N -4.84 0.83 -2.53 0.28 4.01 -1.03 -4.89 117.16 108.98 1xqq n TYR 59 Ca -0.05 -0.36 -0.21 0.00 -0.16 0.00 0.00 57.90 57.12 1xqq n TYR 59 Cb 0.15 -0.09 -0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.80 -5.99 -4.66 7.72 3.02 -0.99 -4.95 115.26 110.22 1xqq n ASN 60 Ca 0.17 -0.07 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 1xqq n ASN 60 Cb 0.52 -4.95 -0.03 0.00 -0.61 0.00 0.00 39.78 34.71 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 -3.08 4.77 0.14 2.41 1.01 -0.48 -4.97 121.20 121.00 1xqq s ILE 61 Ca 0.06 1.80 0.02 0.00 0.00 0.00 0.00 60.65 62.54 1xqq s ILE 61 Cb -0.03 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.25 1xqq s ILE 61 CO 0.08 -0.10 0.18 0.00 0.00 0.00 0.00 174.94 175.10 1xqq n GLN 62 N 5.99 0.93 -2.11 2.79 1.13 -1.26 -4.32 117.38 120.53 1xqq n GLN 62 Ca 0.08 -0.75 -0.35 0.00 -1.94 0.00 0.00 57.00 54.05 1xqq n GLN 62 Cb 0.47 -0.05 0.02 0.00 0.11 0.00 0.00 30.24 30.79 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1xqq s LYS 63 N -2.62 3.18 -1.48 -1.09 -2.85 -1.26 -3.78 119.74 109.84 1xqq s LYS 63 Ca 0.14 1.59 0.00 0.00 -1.00 0.00 0.00 55.97 56.70 1xqq s LYS 63 Cb -0.01 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.78 1xqq s LYS 63 CO 0.09 -0.99 0.00 0.39 0.10 0.00 0.00 175.35 174.94 1xqq n GLU 64 N -1.59 -0.98 -3.23 1.78 1.02 0.35 -5.00 120.64 112.99 1xqq n GLU 64 Ca 0.12 0.98 -0.36 0.00 -0.02 0.00 0.00 57.16 57.88 1xqq n GLU 64 Cb 0.51 -5.08 -0.06 0.00 -0.02 0.00 0.00 31.44 26.79 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 -2.84 6.96 -0.25 1.62 0.01 -1.25 -4.77 113.70 113.18 1xqq s SER 65 Ca 0.00 1.26 -0.13 0.00 1.31 0.00 0.00 55.95 58.39 1xqq s SER 65 Cb 0.00 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 1xqq s SER 65 CO 0.00 0.09 0.27 -0.89 0.41 0.00 0.00 173.24 173.12 1xqq s THR 66 N -1.44 5.27 0.41 1.44 2.01 -1.26 -1.37 115.64 120.70 1xqq s THR 66 Ca 0.39 0.38 0.04 0.00 0.31 0.00 0.00 61.69 62.81 1xqq s THR 66 Cb -0.16 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.74 1xqq s THR 66 CO 0.20 0.25 0.58 -0.76 -0.69 0.00 0.00 174.62 174.20 1xqq s LEU 67 N 1.57 3.74 -0.02 4.42 1.02 0.71 -4.85 118.68 125.27 1xqq s LEU 67 Ca 0.11 -0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.20 1xqq s LEU 67 Cb -0.15 -2.87 0.02 0.00 0.02 0.00 0.00 46.19 43.21 1xqq s LEU 67 CO 0.08 -0.66 -0.01 -2.28 0.02 0.00 0.00 176.35 173.51 1xqq s HIS 68 N -2.39 0.33 -0.22 0.29 2.46 -0.62 -0.46 115.29 114.67 1xqq s HIS 68 Ca 0.49 -0.02 -0.22 0.00 0.47 0.00 0.00 55.06 55.78 1xqq s HIS 68 Cb -0.10 -0.37 -0.02 0.00 -0.13 0.00 0.00 32.58 31.97 1xqq s HIS 68 CO 0.34 -0.10 0.69 -1.17 -2.47 0.00 0.00 174.74 172.03 1xqq s LEU 69 N 0.76 4.11 -0.28 8.88 2.96 -1.09 -1.42 118.68 132.59 1xqq s LEU 69 Ca -0.08 0.87 -0.03 0.00 -0.22 0.00 0.00 54.13 54.67 1xqq s LEU 69 Cb -0.11 -2.97 0.03 0.00 0.50 0.00 0.00 46.19 43.64 1xqq s LEU 69 CO -0.01 -0.37 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.95 1xqq s VAL 70 N 2.33 3.13 -0.25 1.68 1.01 -0.15 -4.58 120.40 123.56 1xqq s VAL 70 Ca 0.30 -1.09 -0.26 0.00 0.00 0.00 0.00 61.98 60.93 1xqq s VAL 70 Cb -0.16 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1xqq s VAL 70 CO 0.09 0.06 0.91 -0.22 0.00 0.00 0.00 175.10 175.94 1xqq s LEU 71 N 1.33 4.08 0.10 3.92 2.96 -1.26 -2.55 118.68 127.27 1xqq s LEU 71 Ca -0.01 1.11 0.06 0.00 -0.22 0.00 0.00 54.13 55.07 1xqq s LEU 71 Cb -0.18 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 1xqq s LEU 71 CO -0.02 -0.60 -0.06 -0.60 -1.32 0.00 0.00 176.35 173.76 1xqq s ARG 72 N 3.02 2.30 -0.06 1.98 3.52 0.11 -5.01 118.95 124.80 1xqq s ARG 72 Ca 0.38 -0.96 -0.02 0.00 -0.13 0.00 0.00 55.73 55.00 1xqq s ARG 72 Cb -0.15 -2.40 -0.01 0.00 -1.56 0.00 0.00 34.95 30.84 1xqq s ARG 72 CO 0.08 0.52 -0.03 1.25 -0.81 0.00 0.00 175.30 176.30 1xqq h LEU 73 N 3.47 0.00 -7.42 -0.88 5.85 -1.94 -3.41 115.31 110.98 1xqq h LEU 73 Ca -0.48 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 1xqq h LEU 73 Cb 1.17 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 42.03 1xqq h LEU 73 CO 0.55 0.33 -0.14 -0.60 -0.34 0.00 0.00 178.44 178.24 1xqq s ARG 74 N -1.44 0.88 0.00 1.25 6.06 -1.26 -4.77 118.95 119.67 1xqq s ARG 74 Ca -0.03 -0.38 0.00 0.00 -2.50 0.00 0.00 55.73 52.82 1xqq s ARG 74 Cb 0.00 0.39 0.00 0.00 0.06 0.00 0.00 34.95 35.41 1xqq s ARG 74 CO 0.04 -0.30 0.00 0.41 -2.50 0.00 0.00 175.30 172.95 1xqq n GLY 75 N 0.56 -1.55 0.00 8.12 0.00 -1.26 -5.16 105.19 105.90 1xqq n GLY 75 Ca -0.19 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93