#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 4.30 0.32 3.17 -0.21 -1.26 -1.91 119.66 124.07 1xqq s GLN 2 Ca 0.00 0.77 0.09 0.00 0.02 0.00 0.00 55.36 56.25 1xqq s GLN 2 Cb 0.00 -3.53 -0.05 0.00 1.00 0.00 0.00 33.01 30.42 1xqq s GLN 2 CO 0.00 -0.16 -0.01 0.96 -2.12 0.00 0.00 175.29 173.96 1xqq s ILE 3 N 1.60 2.74 -0.06 1.08 -4.36 0.32 -1.63 121.20 120.88 1xqq s ILE 3 Ca 0.33 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.76 1xqq s ILE 3 Cb -0.16 -2.76 0.00 0.00 1.25 0.00 0.00 42.46 40.79 1xqq s ILE 3 CO 0.13 -0.24 -0.18 -0.36 0.24 0.00 0.00 174.94 174.52 1xqq s PHE 4 N -2.49 1.91 -0.21 1.37 0.08 -0.73 -0.67 117.98 117.24 1xqq s PHE 4 Ca 0.34 -0.64 0.00 0.00 0.12 0.00 0.00 56.93 56.75 1xqq s PHE 4 Cb -0.01 -1.30 0.02 0.00 -0.57 0.00 0.00 43.02 41.16 1xqq s PHE 4 CO 0.19 -0.25 -0.14 0.08 -0.10 0.00 0.00 175.22 175.00 1xqq s VAL 5 N 0.23 2.37 -0.05 -0.44 1.01 -0.21 -1.28 120.40 122.02 1xqq s VAL 5 Ca -0.10 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1xqq s VAL 5 Cb -0.14 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1xqq s VAL 5 CO 0.04 0.38 -0.06 -0.75 0.00 0.00 0.00 175.10 174.72 1xqq s LYS 6 N 1.29 2.74 0.17 2.72 2.20 0.98 -0.73 119.74 129.10 1xqq s LYS 6 Ca 0.02 -0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 55.04 1xqq s LYS 6 Cb -0.15 -2.60 0.04 0.00 -1.51 0.00 0.00 37.83 33.61 1xqq s LYS 6 CO -0.09 0.65 0.24 0.25 -0.36 0.00 0.00 175.35 176.04 1xqq n THR 7 N 2.01 0.00 0.04 3.43 -2.24 -0.86 0.38 114.28 117.04 1xqq n THR 7 Ca -0.17 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 1xqq n THR 7 Cb 0.53 -1.73 0.05 0.00 -2.10 0.00 0.00 70.33 67.08 1xqq n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xqq h LEU 8 N 0.00 0.49 0.01 3.22 5.85 -1.93 -3.27 115.31 119.69 1xqq h LEU 8 Ca -0.08 -0.30 -0.18 0.00 0.84 0.00 0.00 57.88 58.16 1xqq h LEU 8 Cb 0.23 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1xqq h LEU 8 CO 0.06 1.02 -0.99 0.71 -0.34 0.00 0.00 178.44 178.90 1xqq h THR 9 N 0.30 1.13 0.00 1.05 1.35 -1.94 -3.49 112.91 111.31 1xqq h THR 9 Ca -0.02 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 1xqq h THR 9 Cb 1.22 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 70.19 1xqq h THR 9 CO 0.12 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1xqq n GLY 10 N 1.52 -0.05 3.67 5.82 0.00 -1.23 -5.12 105.19 109.79 1xqq n GLY 10 Ca -0.26 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 4.14 -0.23 1.61 2.20 -1.26 -4.81 119.74 121.39 1xqq s LYS 11 Ca 0.00 0.02 -0.07 0.00 -0.36 0.00 0.00 55.97 55.56 1xqq s LYS 11 Cb 0.00 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1xqq s LYS 11 CO 0.00 0.01 0.08 0.99 -0.36 0.00 0.00 175.35 176.07 1xqq s THR 12 N 1.18 4.48 -0.15 3.43 2.01 -1.26 -2.02 115.64 123.30 1xqq s THR 12 Ca 0.15 -0.12 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 1xqq s THR 12 Cb -0.14 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 1xqq s THR 12 CO 0.06 0.36 -0.03 0.27 -0.69 0.00 0.00 174.62 174.60 1xqq s ILE 13 N 1.33 3.99 -0.32 1.82 -4.36 0.09 -4.92 121.20 118.83 1xqq s ILE 13 Ca 0.05 -0.33 -0.24 0.00 -0.26 0.00 0.00 60.65 59.88 1xqq s ILE 13 Cb -0.15 -2.75 0.00 0.00 1.25 0.00 0.00 42.46 40.82 1xqq s ILE 13 CO 0.04 0.50 0.81 -0.89 0.24 0.00 0.00 174.94 175.63 1xqq s THR 14 N 0.26 4.76 0.21 8.37 2.01 -1.26 -1.05 115.64 128.94 1xqq s THR 14 Ca -0.02 1.15 0.11 0.00 0.31 0.00 0.00 61.69 63.24 1xqq s THR 14 Cb -0.14 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 1xqq s THR 14 CO 0.03 -0.31 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.67 1xqq s LEU 15 N 3.04 2.49 -0.06 4.42 1.43 0.16 -5.01 118.68 125.15 1xqq s LEU 15 Ca 0.33 -0.92 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1xqq s LEU 15 Cb -0.14 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.05 1xqq s LEU 15 CO 0.14 0.05 -0.09 -0.70 0.23 0.00 0.00 176.35 175.98 1xqq s GLU 16 N -2.99 1.35 0.36 1.70 2.12 -1.26 -0.53 118.70 119.46 1xqq s GLU 16 Ca 0.22 -0.29 -0.02 0.00 0.36 0.00 0.00 54.97 55.24 1xqq s GLU 16 Cb -0.06 -1.18 0.01 0.00 0.26 0.00 0.00 34.13 33.16 1xqq s GLU 16 CO 0.10 -0.01 0.50 0.14 -0.54 0.00 0.00 175.26 175.45 1xqq s VAL 17 N 0.75 0.00 0.40 3.70 -7.23 -0.80 -4.98 120.40 112.24 1xqq s VAL 17 Ca -0.13 -1.57 0.08 0.00 -1.81 0.00 0.00 61.98 58.54 1xqq s VAL 17 Cb -0.15 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1xqq s VAL 17 CO 0.02 0.00 0.34 -1.61 -0.31 0.00 0.00 175.10 173.54 1xqq s GLU 18 N -2.90 2.52 0.00 4.82 0.41 -1.26 -0.13 118.70 122.16 1xqq s GLU 18 Ca 0.30 -1.53 0.30 0.00 -0.41 0.00 0.00 54.97 53.63 1xqq s GLU 18 Cb -0.01 -2.35 1.45 0.00 -1.78 0.00 0.00 34.13 31.45 1xqq s GLU 18 CO 0.21 -0.14 1.98 -0.35 -0.49 0.00 0.00 175.26 176.48 1xqq n PRO 19 N -1.48 0.97 0.00 0.39 -0.04 -1.26 -1.68 135.00 131.90 1xqq n PRO 19 Ca 0.02 -0.27 0.11 0.00 -0.04 0.00 0.00 63.50 63.32 1xqq n PRO 19 Cb 0.62 -1.49 0.08 0.00 -0.04 0.00 0.00 33.50 32.67 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xqq n SER 20 N -0.78 2.75 -4.77 3.54 7.64 -1.26 -2.37 113.62 118.37 1xqq n SER 20 Ca 0.19 -1.87 -0.37 0.00 1.01 0.00 0.00 58.87 57.82 1xqq n SER 20 Cb 0.23 0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.45 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 -1.88 6.48 0.71 6.43 1.01 -0.67 -4.83 116.67 123.92 1xqq s ASP 21 Ca 0.25 2.26 -0.11 0.00 0.71 0.00 0.00 52.55 55.66 1xqq s ASP 21 Cb 0.18 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.53 1xqq s ASP 21 CO 0.30 -0.70 1.10 0.42 0.21 0.00 0.00 175.17 176.50 1xqq s THR 22 N -1.51 3.46 0.31 -1.27 -4.23 -1.26 -2.02 115.64 109.11 1xqq s THR 22 Ca 0.59 0.47 0.01 0.00 -1.18 0.00 0.00 61.69 61.59 1xqq s THR 22 Cb -0.28 -3.45 0.28 0.00 1.34 0.00 0.00 72.50 70.39 1xqq s THR 22 CO 0.35 -0.62 1.91 0.40 -0.54 0.00 0.00 174.62 176.12 1xqq h ILE 23 N -0.68 1.05 -0.54 2.99 1.08 -1.24 -1.82 117.51 118.34 1xqq h ILE 23 Ca -0.45 -0.34 0.11 0.00 -0.39 0.00 0.00 64.86 63.78 1xqq h ILE 23 Cb 1.25 -0.04 -0.11 0.00 -3.07 0.00 0.00 36.82 34.85 1xqq h ILE 23 CO 0.63 0.18 -0.23 -0.08 -0.69 0.00 0.00 178.15 177.97 1xqq h GLU 24 N 1.00 -0.10 0.00 2.37 4.81 -1.55 -0.10 114.58 121.01 1xqq h GLU 24 Ca 0.39 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1xqq h GLU 24 Cb 0.23 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1xqq h GLU 24 CO -0.15 -0.07 0.00 0.09 -0.73 0.00 0.00 179.01 178.15 1xqq n ASN 25 N -5.42 0.36 -0.07 1.04 3.02 -0.76 -1.42 115.26 112.01 1xqq n ASN 25 Ca 0.05 0.57 -0.14 0.00 -0.03 0.00 0.00 54.58 55.03 1xqq n ASN 25 Cb 0.33 -0.65 -0.13 0.00 -0.61 0.00 0.00 39.78 38.72 1xqq n ASN 25 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xqq h VAL 26 N 0.00 1.79 -1.03 2.41 2.07 -0.59 -3.24 116.25 117.66 1xqq h VAL 26 Ca 0.00 -2.34 0.27 0.00 0.82 0.00 0.00 66.70 65.45 1xqq h VAL 26 Cb 0.39 3.38 -0.12 0.00 -1.52 0.00 0.00 31.29 33.42 1xqq h VAL 26 CO 0.00 0.61 0.63 0.11 0.02 0.00 0.00 177.57 178.94 1xqq h LYS 27 N -1.00 0.45 -0.58 1.57 1.57 -0.84 -2.87 116.57 114.86 1xqq h LYS 27 Ca -0.00 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1xqq h LYS 27 Cb 1.00 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 1xqq h LYS 27 CO -0.00 0.30 0.38 0.00 -0.57 0.00 0.00 179.45 179.55 1xqq h ALA 28 N 1.71 0.74 -0.37 3.86 0.00 -1.26 0.22 119.26 124.16 1xqq h ALA 28 Ca 0.65 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.37 1xqq h ALA 28 Cb 1.45 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1xqq h ALA 28 CO -0.43 0.14 -0.38 0.87 0.00 0.00 0.00 179.25 179.45 1xqq h LYS 29 N 0.76 0.91 -0.15 0.00 1.79 -1.59 -2.24 116.57 116.05 1xqq h LYS 29 Ca 0.22 -0.48 -0.12 0.00 -2.18 0.00 0.00 60.65 58.09 1xqq h LYS 29 Cb -0.05 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1xqq h LYS 29 CO -0.06 1.13 -0.43 0.82 -1.08 0.00 0.00 179.45 179.83 1xqq h ILE 30 N 0.72 1.31 -0.61 1.86 2.04 -1.25 -0.82 117.51 120.76 1xqq h ILE 30 Ca 0.06 -1.59 0.02 0.00 1.00 0.00 0.00 64.86 64.35 1xqq h ILE 30 Cb 0.98 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 1xqq h ILE 30 CO 0.09 0.48 0.39 -0.61 0.00 0.00 0.00 178.15 178.51 1xqq h GLN 31 N 0.28 0.77 0.87 2.37 4.15 -0.02 -1.44 115.11 122.09 1xqq h GLN 31 Ca 0.02 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1xqq h GLN 31 Cb 0.88 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 28.40 1xqq h GLN 31 CO 0.07 0.51 -0.43 -0.44 -1.93 0.00 0.00 178.83 176.61 1xqq h ASP 32 N 0.79 -1.03 0.14 -0.69 3.32 -1.30 -3.08 116.42 114.58 1xqq h ASP 32 Ca 0.23 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 1xqq h ASP 32 Cb -0.05 0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1xqq h ASP 32 CO -0.07 -0.72 -0.11 0.11 -1.72 0.00 0.00 179.24 176.73 1xqq h LYS 33 N -1.19 -0.25 0.00 3.56 1.57 -1.15 -3.40 116.57 115.71 1xqq h LYS 33 Ca -0.12 0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.48 1xqq h LYS 33 Cb 0.91 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 1xqq h LYS 33 CO 0.19 -0.17 -1.76 0.39 -0.57 0.00 0.00 179.45 177.52 1xqq n GLU 34 N -5.23 2.15 -1.93 3.15 -0.58 -0.55 -5.03 120.64 112.63 1xqq n GLU 34 Ca -0.08 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1xqq n GLU 34 Cb 0.15 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 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 2.30 0.91 3.53 0.62 0.00 -1.16 -5.06 105.19 106.32 1xqq n GLY 35 Ca -0.18 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.76 4.87 0.54 -0.61 1.01 -1.26 -5.06 121.20 117.93 1xqq s ILE 36 Ca 0.00 0.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.45 1xqq s ILE 36 Cb 0.00 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 1xqq s ILE 36 CO 0.00 0.29 1.32 -2.65 0.00 0.00 0.00 174.94 173.90 1xqq n PRO 37 N 4.99 1.64 0.23 2.79 -0.02 -1.26 -4.31 135.00 139.06 1xqq n PRO 37 Ca -0.15 0.60 0.10 0.00 -2.02 0.00 0.00 63.50 62.04 1xqq n PRO 37 Cb 0.52 -2.53 0.67 0.00 -0.02 0.00 0.00 33.50 32.14 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 1.40 0.00 -0.53 0.52 0.11 -1.90 0.13 132.00 131.73 1xqq h PRO 38 Ca -0.50 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1xqq h PRO 38 Cb 1.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 1xqq h PRO 38 CO 0.57 0.00 0.11 -0.44 -0.21 0.00 0.00 178.00 178.02 1xqq h ASP 39 N 0.00 0.83 -0.24 -2.05 3.32 -1.95 -2.89 116.42 113.43 1xqq h ASP 39 Ca 0.03 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 1xqq h ASP 39 Cb 0.14 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1xqq h ASP 39 CO -0.00 0.86 -0.05 -0.61 -1.72 0.00 0.00 179.24 177.72 1xqq h GLN 40 N 0.76 0.59 -6.58 3.56 4.15 -1.00 -3.43 115.11 113.16 1xqq h GLN 40 Ca 0.16 -0.15 -0.51 0.00 0.77 0.00 0.00 58.65 58.92 1xqq h GLN 40 Cb 0.37 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 1xqq h GLN 40 CO 0.01 0.65 0.31 -0.65 -1.93 0.00 0.00 178.83 177.21 1xqq s GLN 41 N -4.88 4.70 -0.14 1.69 -0.21 -0.10 -0.86 119.66 119.87 1xqq s GLN 41 Ca -0.08 1.38 -0.00 0.00 0.02 0.00 0.00 55.36 56.67 1xqq s GLN 41 Cb 0.15 -3.33 0.03 0.00 1.00 0.00 0.00 33.01 30.86 1xqq s GLN 41 CO 0.78 0.35 -0.07 0.50 -2.12 0.00 0.00 175.29 174.74 1xqq s ARG 42 N -0.49 1.53 -0.23 2.91 3.52 -0.19 -4.78 118.95 121.22 1xqq s ARG 42 Ca 0.43 -0.41 -0.18 0.00 -0.13 0.00 0.00 55.73 55.43 1xqq s ARG 42 Cb -0.24 -1.84 -0.03 0.00 -1.56 0.00 0.00 34.95 31.28 1xqq s ARG 42 CO 0.29 -0.35 0.53 -0.51 -0.81 0.00 0.00 175.30 174.45 1xqq s LEU 43 N 1.65 4.10 -0.12 -0.88 1.43 -1.26 0.54 118.68 124.14 1xqq s LEU 43 Ca 0.03 0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 53.73 1xqq s LEU 43 Cb -0.14 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 1xqq s LEU 43 CO -0.08 -0.25 -0.08 -0.63 0.23 0.00 0.00 176.35 175.54 1xqq s ILE 44 N 2.03 3.57 -0.32 -0.59 1.01 0.16 -2.09 121.20 124.97 1xqq s ILE 44 Ca 0.23 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 1xqq s ILE 44 Cb -0.16 -2.51 0.06 0.00 0.01 0.00 0.00 42.46 39.87 1xqq s ILE 44 CO 0.09 0.54 0.03 0.12 0.00 0.00 0.00 174.94 175.71 1xqq s PHE 45 N -0.03 3.36 0.00 3.97 5.36 -0.52 0.15 117.98 130.27 1xqq s PHE 45 Ca -0.01 -2.09 0.00 0.00 -0.96 0.00 0.00 56.93 53.87 1xqq s PHE 45 Cb -0.14 -2.33 0.00 0.00 -0.34 0.00 0.00 43.02 40.21 1xqq s PHE 45 CO 0.03 -0.85 0.00 0.00 -1.46 0.00 0.00 175.22 172.94 1xqq n ALA 46 N 4.57 0.00 -0.04 11.12 0.00 -1.26 -1.86 120.51 133.04 1xqq n ALA 46 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1xqq n ALA 46 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.03 3.68 0.00 0.00 -1.26 -5.04 105.19 102.55 1xqq n GLY 47 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.50 4.13 0.07 1.61 2.20 -0.78 -5.07 119.74 121.41 1xqq s LYS 48 Ca 0.00 -0.15 -0.17 0.00 -0.36 0.00 0.00 55.97 55.29 1xqq s LYS 48 Cb 0.00 -3.50 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 1xqq s LYS 48 CO 0.00 0.11 0.52 1.14 -0.36 0.00 0.00 175.35 176.76 1xqq s GLN 49 N 0.90 4.07 -0.15 4.03 -2.07 -1.26 -1.44 119.66 123.74 1xqq s GLN 49 Ca 0.10 0.59 -0.06 0.00 -1.82 0.00 0.00 55.36 54.17 1xqq s GLN 49 Cb -0.13 -3.15 -0.04 0.00 -1.09 0.00 0.00 33.01 28.60 1xqq s GLN 49 CO 0.04 0.61 0.05 -0.51 -1.32 0.00 0.00 175.29 174.16 1xqq s LEU 50 N -1.33 3.78 0.59 2.60 1.43 -0.89 -4.99 118.68 119.87 1xqq s LEU 50 Ca 0.30 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.37 1xqq s LEU 50 Cb -0.18 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1xqq s LEU 50 CO 0.18 0.26 1.05 -1.61 0.23 0.00 0.00 176.35 176.46 1xqq s GLU 51 N -0.13 3.35 -0.05 1.70 2.02 -1.26 -4.66 118.70 119.66 1xqq s GLU 51 Ca 0.06 1.18 -0.19 0.00 0.02 0.00 0.00 54.97 56.04 1xqq s GLU 51 Cb -0.12 -2.04 -0.14 0.00 0.10 0.00 0.00 34.13 31.93 1xqq s GLU 51 CO 0.01 -0.78 0.79 -0.44 0.02 0.00 0.00 175.26 174.86 1xqq h ASP 52 N 0.44 -0.22 -0.17 -0.19 3.32 -1.98 -3.31 116.42 114.30 1xqq h ASP 52 Ca -0.47 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.30 1xqq h ASP 52 Cb 1.22 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1xqq h ASP 52 CO 0.58 0.32 0.00 0.61 -1.72 0.00 0.00 179.24 179.02 1xqq n GLY 53 N 0.64 1.63 3.53 2.75 0.00 -1.26 -1.52 105.19 110.95 1xqq n GLY 53 Ca -0.07 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.54 2.18 0.74 1.61 0.52 -1.25 -5.01 118.95 116.20 1xqq s ARG 54 Ca 0.16 -0.95 -0.11 0.00 -0.52 0.00 0.00 55.73 54.31 1xqq s ARG 54 Cb 0.11 -2.29 0.03 0.00 0.52 0.00 0.00 34.95 33.33 1xqq s ARG 54 CO 0.05 0.54 1.08 0.95 0.02 0.00 0.00 175.30 177.95 1xqq s THR 55 N -1.04 3.55 0.11 0.02 -4.23 -1.26 -2.10 115.64 110.69 1xqq s THR 55 Ca 0.17 0.50 -0.21 0.00 -1.18 0.00 0.00 61.69 60.98 1xqq s THR 55 Cb -0.11 -3.30 -0.09 0.00 1.34 0.00 0.00 72.50 70.35 1xqq s THR 55 CO 0.08 -0.66 1.73 -0.07 -0.54 0.00 0.00 174.62 175.17 1xqq h LEU 56 N -0.86 -0.02 -0.66 4.79 3.38 -1.52 -2.95 115.31 117.47 1xqq h LEU 56 Ca -0.45 0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.58 1xqq h LEU 56 Cb 1.24 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 1xqq h LEU 56 CO 0.59 0.01 0.38 0.77 0.09 0.00 0.00 178.44 180.28 1xqq h SER 57 N 0.05 0.59 -0.07 -0.43 4.64 -1.69 0.49 113.55 117.14 1xqq h SER 57 Ca 0.05 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.43 1xqq h SER 57 Cb 0.06 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 61.99 1xqq h SER 57 CO -0.08 0.40 -0.23 -0.78 -0.87 0.00 0.00 176.83 175.26 1xqq h ASP 58 N 0.73 -0.69 0.23 4.97 3.58 -1.87 -2.62 116.42 120.75 1xqq h ASP 58 Ca 0.28 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.84 1xqq h ASP 58 Cb 0.12 0.30 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 1xqq h ASP 58 CO -0.15 -0.29 -0.01 1.88 -2.88 0.00 0.00 179.24 177.79 1xqq h TYR 59 N -0.32 0.00 -5.38 0.28 0.05 -1.46 -3.48 116.97 106.66 1xqq h TYR 59 Ca 0.08 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 1xqq h TYR 59 Cb 0.44 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.23 1xqq h TYR 59 CO -0.30 0.01 -0.20 -1.71 -1.05 0.00 0.00 178.16 174.91 1xqq n ASN 60 N -3.21 -7.53 -4.14 3.88 5.15 -0.52 -5.05 115.26 103.84 1xqq n ASN 60 Ca -0.02 -0.22 -0.33 0.00 -0.60 0.00 0.00 54.58 53.41 1xqq n ASN 60 Cb 0.13 -5.29 -0.15 0.00 -0.53 0.00 0.00 39.78 33.94 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xqq s ILE 61 N -3.09 2.33 0.00 -1.44 1.01 0.05 -5.01 121.20 115.05 1xqq s ILE 61 Ca 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1xqq s ILE 61 Cb -0.01 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1xqq s ILE 61 CO 0.75 0.37 0.00 0.00 0.00 0.00 0.00 174.94 176.06 1xqq n GLN 62 N 4.61 1.81 -1.95 2.79 6.02 -1.26 -4.49 117.38 124.91 1xqq n GLN 62 Ca -0.19 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.48 1xqq n GLN 62 Cb 0.48 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.76 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1xqq s LYS 63 N 0.64 3.34 -1.69 -1.09 -2.85 -1.26 -4.11 119.74 112.72 1xqq s LYS 63 Ca 0.00 1.04 0.00 0.00 -1.00 0.00 0.00 55.97 56.01 1xqq s LYS 63 Cb 0.00 -2.04 0.00 0.00 -2.06 0.00 0.00 37.83 33.73 1xqq s LYS 63 CO 0.00 -0.78 0.00 0.39 0.10 0.00 0.00 175.35 175.06 1xqq n GLU 64 N -2.34 -1.24 -2.93 1.78 1.02 -0.64 -4.97 120.64 111.32 1xqq n GLU 64 Ca 0.08 1.01 -0.41 0.00 -0.02 0.00 0.00 57.16 57.81 1xqq n GLU 64 Cb 0.53 -5.30 -0.04 0.00 -0.02 0.00 0.00 31.44 26.61 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 -2.63 6.87 -0.69 1.62 0.01 -1.26 -4.90 113.70 112.73 1xqq s SER 65 Ca 0.00 1.08 -0.22 0.00 1.31 0.00 0.00 55.95 58.12 1xqq s SER 65 Cb 0.00 -2.43 0.08 0.00 0.21 0.00 0.00 66.02 63.88 1xqq s SER 65 CO 0.00 -0.41 0.97 -0.89 0.41 0.00 0.00 173.24 173.32 1xqq s THR 66 N 2.31 4.39 0.10 1.44 2.01 -1.25 -1.78 115.64 122.85 1xqq s THR 66 Ca 0.36 -0.52 -0.21 0.00 0.31 0.00 0.00 61.69 61.62 1xqq s THR 66 Cb -0.16 -4.69 -0.07 0.00 0.01 0.00 0.00 72.50 67.59 1xqq s THR 66 CO 0.11 -1.45 0.62 -0.76 -0.69 0.00 0.00 174.62 172.45 1xqq s LEU 67 N 3.86 4.54 -0.45 4.42 1.43 -0.41 -4.90 118.68 127.18 1xqq s LEU 67 Ca 0.23 1.36 -0.16 0.00 -1.03 0.00 0.00 54.13 54.53 1xqq s LEU 67 Cb -0.16 -3.00 0.05 0.00 0.03 0.00 0.00 46.19 43.11 1xqq s LEU 67 CO 0.08 0.26 0.40 -2.28 0.23 0.00 0.00 176.35 175.04 1xqq s HIS 68 N -1.12 3.20 -0.48 0.29 5.65 0.12 -0.02 115.29 122.94 1xqq s HIS 68 Ca 0.31 -0.67 -0.27 0.00 0.25 0.00 0.00 55.06 54.68 1xqq s HIS 68 Cb -0.20 -2.99 0.03 0.00 -1.18 0.00 0.00 32.58 28.24 1xqq s HIS 68 CO 0.21 -0.75 1.02 -1.17 -0.65 0.00 0.00 174.74 173.41 1xqq s LEU 69 N 1.87 3.84 0.29 8.88 2.96 0.16 0.35 118.68 137.03 1xqq s LEU 69 Ca 0.07 0.24 0.10 0.00 -0.22 0.00 0.00 54.13 54.33 1xqq s LEU 69 Cb -0.21 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1xqq s LEU 69 CO 0.10 -1.16 -0.15 0.68 -1.32 0.00 0.00 176.35 174.50 1xqq s VAL 70 N 4.09 2.22 0.19 1.68 -7.23 0.19 -3.47 120.40 118.07 1xqq s VAL 70 Ca 0.42 -2.30 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 1xqq s VAL 70 Cb -0.09 -2.37 -0.08 0.00 0.56 0.00 0.00 36.38 34.41 1xqq s VAL 70 CO 0.28 -0.37 0.89 -0.76 -0.31 0.00 0.00 175.10 174.84 1xqq s LEU 71 N -3.50 4.60 -0.36 1.32 1.43 -1.26 -1.02 118.68 119.88 1xqq s LEU 71 Ca 0.29 1.82 -0.06 0.00 -1.03 0.00 0.00 54.13 55.15 1xqq s LEU 71 Cb -0.02 -3.51 0.06 0.00 0.03 0.00 0.00 46.19 42.76 1xqq s LEU 71 CO 0.14 0.12 0.15 -0.60 0.23 0.00 0.00 176.35 176.39 1xqq s ARG 72 N -0.89 2.52 0.00 1.70 3.52 -0.03 -4.82 118.95 120.95 1xqq s ARG 72 Ca 0.41 -1.34 0.00 0.00 -0.13 0.00 0.00 55.73 54.67 1xqq s ARG 72 Cb -0.24 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 1xqq s ARG 72 CO 0.30 -0.79 0.00 1.28 -0.81 0.00 0.00 175.30 175.28 1xqq n LEU 73 N 4.79 0.00 -4.99 -0.88 7.99 -1.26 -4.24 117.00 118.40 1xqq n LEU 73 Ca -0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.70 1xqq n LEU 73 Cb 0.44 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.79 1xqq n LEU 73 CO 0.33 0.00 0.31 -0.13 -1.51 0.00 0.00 177.39 176.40 1xqq s ARG 74 N 2.69 2.50 0.00 3.23 1.81 -1.26 -4.57 118.95 123.35 1xqq s ARG 74 Ca 0.00 -1.08 0.00 0.00 -1.72 0.00 0.00 55.73 52.93 1xqq s ARG 74 Cb 0.00 -2.58 0.00 0.00 -0.45 0.00 0.00 34.95 31.92 1xqq s ARG 74 CO 0.00 -0.67 0.00 0.41 -0.68 0.00 0.00 175.30 174.36 1xqq n GLY 75 N -2.23 1.99 0.00 -3.53 0.00 -1.26 -5.28 105.19 94.88 1xqq n GLY 75 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93