#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 3.22 0.02 3.17 -0.21 -1.26 -1.81 119.66 122.79 1xqq s GLN 2 Ca 0.00 -0.32 0.02 0.00 0.02 0.00 0.00 55.36 55.08 1xqq s GLN 2 Cb 0.00 -2.95 -0.01 0.00 1.00 0.00 0.00 33.01 31.04 1xqq s GLN 2 CO 0.00 0.68 -0.06 0.96 -2.12 0.00 0.00 175.29 174.75 1xqq s ILE 3 N -0.80 0.45 -0.09 1.08 -4.36 -1.09 0.13 121.20 116.53 1xqq s ILE 3 Ca 0.13 -0.63 -0.01 0.00 -0.26 0.00 0.00 60.65 59.88 1xqq s ILE 3 Cb -0.12 -0.46 -0.03 0.00 1.25 0.00 0.00 42.46 43.11 1xqq s ILE 3 CO 0.03 -0.13 -0.02 -0.36 0.24 0.00 0.00 174.94 174.70 1xqq s PHE 4 N -0.73 3.09 -0.22 1.37 0.08 -0.11 -1.51 117.98 119.96 1xqq s PHE 4 Ca -0.04 0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.14 1xqq s PHE 4 Cb -0.06 -1.79 0.04 0.00 -0.57 0.00 0.00 43.02 40.65 1xqq s PHE 4 CO 0.00 0.39 -0.13 0.08 -0.10 0.00 0.00 175.22 175.46 1xqq s VAL 5 N -0.75 1.95 -0.14 -0.44 1.01 -0.56 -0.15 120.40 121.32 1xqq s VAL 5 Ca 0.12 -1.22 -0.26 0.00 0.00 0.00 0.00 61.98 60.62 1xqq s VAL 5 Cb -0.11 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1xqq s VAL 5 CO 0.02 0.20 0.85 -0.54 0.00 0.00 0.00 175.10 175.62 1xqq s LYS 6 N 1.26 4.34 1.02 2.72 1.02 -1.12 -1.36 119.74 127.62 1xqq s LYS 6 Ca -0.02 1.07 -0.17 0.00 0.02 0.00 0.00 55.97 56.86 1xqq s LYS 6 Cb -0.17 -3.55 0.22 0.00 -0.52 0.00 0.00 37.83 33.81 1xqq s LYS 6 CO -0.08 -0.27 1.28 0.95 -0.92 0.00 0.00 175.35 176.31 1xqq s THR 7 N 1.94 1.91 0.12 2.17 -4.23 -0.40 -0.59 115.64 116.57 1xqq s THR 7 Ca 0.40 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.93 1xqq s THR 7 Cb -0.17 -2.89 -0.21 0.00 1.34 0.00 0.00 72.50 70.57 1xqq s THR 7 CO 0.14 0.00 1.28 0.25 -0.54 0.00 0.00 174.62 175.75 1xqq h LEU 8 N -1.86 0.24 -0.38 4.79 5.85 -1.69 -3.19 115.31 119.07 1xqq h LEU 8 Ca -0.44 -0.23 -0.19 0.00 0.84 0.00 0.00 57.88 57.86 1xqq h LEU 8 Cb 1.24 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1xqq h LEU 8 CO 0.36 1.12 -0.80 0.71 -0.34 0.00 0.00 178.44 179.49 1xqq h THR 9 N 0.07 1.45 0.00 1.05 1.35 -1.94 -3.49 112.91 111.40 1xqq h THR 9 Ca -0.06 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 1xqq h THR 9 Cb 1.73 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.46 1xqq h THR 9 CO 0.15 0.71 0.00 0.61 -0.25 0.00 0.00 175.52 176.74 1xqq n GLY 10 N 0.70 0.65 3.45 5.82 0.00 -1.21 -5.16 105.19 109.45 1xqq n GLY 10 Ca -0.04 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.06 1.61 -0.56 1.61 1.02 -1.26 -4.88 119.74 116.22 1xqq s LYS 11 Ca 0.00 -1.39 -0.10 0.00 0.02 0.00 0.00 55.97 54.50 1xqq s LYS 11 Cb 0.00 -1.95 0.14 0.00 -0.52 0.00 0.00 37.83 35.50 1xqq s LYS 11 CO 0.00 0.43 0.45 0.99 -0.92 0.00 0.00 175.35 176.30 1xqq s THR 12 N -1.44 4.49 0.26 2.17 2.01 -1.26 -1.27 115.64 120.60 1xqq s THR 12 Ca 0.19 -2.05 -0.11 0.00 0.31 0.00 0.00 61.69 60.04 1xqq s THR 12 Cb -0.09 -3.91 -0.08 0.00 0.01 0.00 0.00 72.50 68.44 1xqq s THR 12 CO 0.10 -0.85 0.60 0.27 -0.69 0.00 0.00 174.62 174.05 1xqq s ILE 13 N 0.97 4.87 -0.19 1.82 -4.36 -0.46 -4.90 121.20 118.94 1xqq s ILE 13 Ca 0.09 0.59 -0.03 0.00 -0.26 0.00 0.00 60.65 61.04 1xqq s ILE 13 Cb -0.23 -3.62 -0.02 0.00 1.25 0.00 0.00 42.46 39.84 1xqq s ILE 13 CO -0.02 -0.12 -0.05 -0.89 0.24 0.00 0.00 174.94 174.10 1xqq s THR 14 N -1.88 3.51 0.03 8.37 2.01 -1.26 -1.49 115.64 124.93 1xqq s THR 14 Ca 0.49 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1xqq s THR 14 Cb -0.11 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1xqq s THR 14 CO 0.21 0.45 0.04 -0.76 -0.69 0.00 0.00 174.62 173.87 1xqq s LEU 15 N 0.99 3.66 -0.74 4.42 1.43 -0.57 -5.02 118.68 122.85 1xqq s LEU 15 Ca 0.00 -0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 1xqq s LEU 15 Cb -0.15 -2.22 0.19 0.00 0.03 0.00 0.00 46.19 44.05 1xqq s LEU 15 CO 0.00 0.23 0.62 -0.70 0.23 0.00 0.00 176.35 176.74 1xqq s GLU 16 N -1.94 3.15 0.30 1.70 2.56 -1.26 -2.68 118.70 120.54 1xqq s GLU 16 Ca 0.24 -2.49 0.10 0.00 0.00 0.00 0.00 54.97 52.82 1xqq s GLU 16 Cb -0.12 -4.13 -0.05 0.00 2.00 0.00 0.00 34.13 31.83 1xqq s GLU 16 CO 0.15 -1.24 -0.07 0.14 -0.56 0.00 0.00 175.26 173.68 1xqq s VAL 17 N 0.08 2.75 0.09 3.70 -7.23 -0.75 -4.84 120.40 114.19 1xqq s VAL 17 Ca 0.17 -2.12 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1xqq s VAL 17 Cb -0.15 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 1xqq s VAL 17 CO -0.06 -0.31 0.33 -1.61 -0.31 0.00 0.00 175.10 173.14 1xqq s GLU 18 N -3.63 3.61 0.00 4.82 2.02 -1.26 -0.23 118.70 124.03 1xqq s GLU 18 Ca 0.32 -0.09 0.19 0.00 0.02 0.00 0.00 54.97 55.41 1xqq s GLU 18 Cb -0.03 -2.96 0.85 0.00 0.10 0.00 0.00 34.13 32.10 1xqq s GLU 18 CO 0.18 0.55 1.62 -0.35 0.02 0.00 0.00 175.26 177.28 1xqq n PRO 19 N 0.51 0.04 0.00 0.39 -0.04 -1.26 -1.84 135.00 132.80 1xqq n PRO 19 Ca -0.06 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.69 1xqq n PRO 19 Cb 0.52 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.95 1xqq n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xqq n SER 20 N -1.47 0.96 -4.77 3.54 3.41 -1.26 -2.39 113.62 111.64 1xqq n SER 20 Ca 0.05 -0.93 -0.36 0.00 -0.26 0.00 0.00 58.87 57.38 1xqq n SER 20 Cb 0.22 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xqq s ASP 21 N -2.39 5.80 0.38 4.04 1.01 -0.76 -4.87 116.67 119.87 1xqq s ASP 21 Ca 0.28 2.27 -0.09 0.00 0.71 0.00 0.00 52.55 55.73 1xqq s ASP 21 Cb 0.20 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 1xqq s ASP 21 CO 0.47 -1.17 0.71 0.42 0.21 0.00 0.00 175.17 175.81 1xqq s THR 22 N -1.65 4.86 0.36 -1.27 -4.23 -1.26 -2.72 115.64 109.72 1xqq s THR 22 Ca 0.70 0.44 0.11 0.00 -1.18 0.00 0.00 61.69 61.75 1xqq s THR 22 Cb -0.27 -3.74 0.34 0.00 1.34 0.00 0.00 72.50 70.16 1xqq s THR 22 CO 0.31 -0.49 1.82 0.40 -0.54 0.00 0.00 174.62 176.12 1xqq h ILE 23 N 1.10 0.72 -0.67 2.99 1.08 -0.88 -0.59 117.51 121.26 1xqq h ILE 23 Ca -0.47 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 63.77 1xqq h ILE 23 Cb 1.19 0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.95 1xqq h ILE 23 CO 0.64 0.11 0.35 -0.08 -0.69 0.00 0.00 178.15 178.49 1xqq h GLU 24 N 0.63 0.94 -0.35 2.37 4.57 -1.41 -1.51 114.58 119.81 1xqq h GLU 24 Ca 0.52 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 58.48 1xqq h GLU 24 Cb 0.97 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 1xqq h GLU 24 CO -0.27 0.72 -0.19 -0.91 -1.18 0.00 0.00 179.01 177.18 1xqq h ASN 25 N 0.92 0.66 -0.16 1.04 -0.26 -1.50 -3.15 115.58 113.13 1xqq h ASN 25 Ca 0.23 -0.22 -0.14 0.00 -0.56 0.00 0.00 56.30 55.61 1xqq h ASN 25 Cb 0.06 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1xqq h ASN 25 CO -0.04 0.85 -0.41 0.58 -1.06 0.00 0.00 177.43 177.36 1xqq h VAL 26 N 0.59 1.29 -0.83 2.81 2.07 -0.62 -2.97 116.25 118.59 1xqq h VAL 26 Ca 0.09 -1.58 0.05 0.00 0.82 0.00 0.00 66.70 66.08 1xqq h VAL 26 Cb 0.65 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 1xqq h VAL 26 CO 0.05 0.51 0.52 0.11 0.02 0.00 0.00 177.57 178.77 1xqq h LYS 27 N 0.57 0.93 -0.57 1.57 1.57 -1.25 -1.30 116.57 118.09 1xqq h LYS 27 Ca 0.05 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 58.90 1xqq h LYS 27 Cb 0.95 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 1xqq h LYS 27 CO 0.09 0.61 0.40 0.00 -0.57 0.00 0.00 179.45 179.98 1xqq h ALA 28 N 1.38 2.30 -0.32 3.86 0.00 -1.53 -1.24 119.26 123.71 1xqq h ALA 28 Ca 0.36 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 1xqq h ALA 28 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xqq h ALA 28 CO -0.16 -0.45 -0.25 -0.22 0.00 0.00 0.00 179.25 178.17 1xqq h LYS 29 N 0.17 0.64 -0.96 0.00 3.64 -1.09 -1.87 116.57 117.10 1xqq h LYS 29 Ca 0.27 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1xqq h LYS 29 Cb 0.84 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.57 1xqq h LYS 29 CO -0.04 0.83 0.62 0.82 -2.27 0.00 0.00 179.45 179.40 1xqq h ILE 30 N 0.56 1.10 -0.95 2.00 2.04 -1.22 -0.71 117.51 120.32 1xqq h ILE 30 Ca 0.08 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.62 1xqq h ILE 30 Cb 0.72 -0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 1xqq h ILE 30 CO 0.06 0.21 0.60 -0.61 0.00 0.00 0.00 178.15 178.41 1xqq h GLN 31 N 1.14 1.05 -0.52 2.37 4.15 -1.23 -0.02 115.11 122.06 1xqq h GLN 31 Ca 0.40 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.68 1xqq h GLN 31 Cb 0.11 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1xqq h GLN 31 CO -0.16 0.69 -0.02 0.22 -1.93 0.00 0.00 178.83 177.64 1xqq h ASP 32 N 1.08 0.87 0.00 -0.69 3.58 -0.56 -0.93 116.42 119.77 1xqq h ASP 32 Ca 0.42 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1xqq h ASP 32 Cb 0.21 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1xqq h ASP 32 CO -0.19 0.94 0.00 0.29 -2.88 0.00 0.00 179.24 177.40 1xqq n LYS 33 N -4.19 0.00 0.00 0.28 5.02 -0.35 -4.60 118.16 114.32 1xqq n LYS 33 Ca 0.03 0.48 0.12 0.00 -2.02 0.00 0.00 58.31 56.91 1xqq n LYS 33 Cb 0.33 -1.13 0.18 0.00 -0.02 0.00 0.00 35.03 34.39 1xqq n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xqq n GLU 34 N -1.94 0.13 -2.42 1.97 -0.58 -0.03 -5.00 120.64 112.78 1xqq n GLU 34 Ca 0.00 -0.09 -0.06 0.00 -0.42 0.00 0.00 57.16 56.59 1xqq n GLU 34 Cb 0.00 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.38 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 1.48 0.33 3.46 0.62 0.00 -0.35 -4.99 105.19 105.73 1xqq n GLY 35 Ca 0.06 -0.55 -0.35 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 -2.64 4.12 0.11 -0.61 1.01 -1.25 -5.00 121.20 116.94 1xqq s ILE 36 Ca 0.07 -0.25 -0.34 0.00 0.00 0.00 0.00 60.65 60.14 1xqq s ILE 36 Cb -0.03 -2.89 -0.13 0.00 0.01 0.00 0.00 42.46 39.42 1xqq s ILE 36 CO 0.09 0.40 1.67 -2.65 0.00 0.00 0.00 174.94 174.45 1xqq n PRO 37 N 4.45 2.26 0.00 2.79 -0.02 -1.26 -3.64 135.00 139.57 1xqq n PRO 37 Ca -0.17 0.82 0.03 0.00 -2.02 0.00 0.00 63.50 62.16 1xqq n PRO 37 Cb 0.52 -2.62 0.13 0.00 -0.02 0.00 0.00 33.50 31.51 1xqq n PRO 37 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xqq n PRO 38 N 4.26 0.04 0.19 0.52 -0.02 -1.26 -1.27 135.00 137.47 1xqq n PRO 38 Ca 0.18 0.31 0.04 0.00 -2.02 0.00 0.00 63.50 62.01 1xqq n PRO 38 Cb 0.30 -1.50 0.37 0.00 -0.02 0.00 0.00 33.50 32.65 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xqq h ASP 39 N 0.00 0.00 -0.31 2.55 3.32 -1.98 -3.29 116.42 116.71 1xqq h ASP 39 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xqq h ASP 39 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1xqq h ASP 39 CO 0.00 0.38 0.00 0.00 -1.72 0.00 0.00 179.24 177.90 1xqq n GLN 40 N -3.89 2.33 -3.53 3.56 6.02 -0.39 -4.73 117.38 116.75 1xqq n GLN 40 Ca -0.01 -2.13 -0.37 0.00 -0.01 0.00 0.00 57.00 54.47 1xqq n GLN 40 Cb 0.44 -1.46 -0.06 0.00 1.02 0.00 0.00 30.24 30.17 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 -1.45 4.07 -0.23 -1.09 -0.21 -1.24 -0.68 119.66 118.83 1xqq s GLN 41 Ca 0.34 0.22 -0.02 0.00 0.02 0.00 0.00 55.36 55.92 1xqq s GLN 41 Cb 0.20 -3.34 0.07 0.00 1.00 0.00 0.00 33.01 30.95 1xqq s GLN 41 CO 0.29 0.43 0.04 0.50 -2.12 0.00 0.00 175.29 174.43 1xqq s ARG 42 N -0.17 0.77 -0.19 2.91 3.52 -1.01 -4.65 118.95 120.12 1xqq s ARG 42 Ca 0.20 -0.65 -0.29 0.00 -0.13 0.00 0.00 55.73 54.86 1xqq s ARG 42 Cb -0.14 -2.11 -0.02 0.00 -1.56 0.00 0.00 34.95 31.11 1xqq s ARG 42 CO 0.08 -0.73 1.49 -0.51 -0.81 0.00 0.00 175.30 174.82 1xqq s LEU 43 N 1.75 4.03 -0.11 -0.88 1.43 -1.26 -2.24 118.68 121.40 1xqq s LEU 43 Ca 0.01 1.67 -0.02 0.00 -1.03 0.00 0.00 54.13 54.76 1xqq s LEU 43 Cb -0.17 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1xqq s LEU 43 CO -0.13 -1.06 -0.04 -0.63 0.23 0.00 0.00 176.35 174.72 1xqq s ILE 44 N 4.49 3.92 -0.27 -0.59 -1.09 0.14 -3.43 121.20 124.37 1xqq s ILE 44 Ca 0.65 -0.38 -0.03 0.00 -2.23 0.00 0.00 60.65 58.67 1xqq s ILE 44 Cb -0.24 -2.66 0.02 0.00 -1.58 0.00 0.00 42.46 38.00 1xqq s ILE 44 CO 0.25 0.56 -0.01 0.12 -1.23 0.00 0.00 174.94 174.63 1xqq s PHE 45 N -0.36 3.11 0.00 3.97 5.36 -0.23 -1.21 117.98 128.63 1xqq s PHE 45 Ca 0.06 -1.41 0.00 0.00 -0.96 0.00 0.00 56.93 54.62 1xqq s PHE 45 Cb -0.12 -2.13 0.00 0.00 -0.34 0.00 0.00 43.02 40.43 1xqq s PHE 45 CO 0.02 -0.69 0.00 0.00 -1.46 0.00 0.00 175.22 173.09 1xqq n ALA 46 N 4.73 0.00 -0.48 11.12 0.00 -1.26 -0.82 120.51 133.80 1xqq n ALA 46 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1xqq n ALA 46 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.09 3.63 0.00 0.00 -1.26 -5.07 105.19 102.40 1xqq n GLY 47 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.26 4.09 -0.43 1.61 2.47 0.00 -5.01 119.74 122.22 1xqq s LYS 48 Ca 0.00 0.33 -0.27 0.00 -1.56 0.00 0.00 55.97 54.46 1xqq s LYS 48 Cb 0.00 -3.63 0.02 0.00 -1.46 0.00 0.00 37.83 32.76 1xqq s LYS 48 CO 0.00 -0.31 1.03 -1.14 0.16 0.00 0.00 175.35 175.09 1xqq s GLN 49 N 2.17 3.75 0.31 4.03 0.74 -1.26 -1.07 119.66 128.33 1xqq s GLN 49 Ca 0.21 0.54 -0.29 0.00 0.05 0.00 0.00 55.36 55.87 1xqq s GLN 49 Cb -0.16 -3.87 -0.10 0.00 1.10 0.00 0.00 33.01 29.99 1xqq s GLN 49 CO 0.09 -1.18 1.24 -0.51 -0.55 0.00 0.00 175.29 174.38 1xqq s LEU 50 N 3.96 4.47 0.53 3.68 1.43 -1.22 -5.04 118.68 126.48 1xqq s LEU 50 Ca 0.43 2.54 -0.13 0.00 -1.03 0.00 0.00 54.13 55.93 1xqq s LEU 50 Cb -0.10 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 1xqq s LEU 50 CO 0.25 -0.40 0.95 -1.61 0.23 0.00 0.00 176.35 175.77 1xqq s GLU 51 N -1.60 3.78 -0.13 1.70 2.02 -1.26 -4.92 118.70 118.29 1xqq s GLU 51 Ca 0.48 0.75 -0.22 0.00 0.02 0.00 0.00 54.97 56.00 1xqq s GLU 51 Cb -0.37 -2.18 -0.26 0.00 0.10 0.00 0.00 34.13 31.43 1xqq s GLU 51 CO 0.48 -0.33 0.60 -0.44 0.02 0.00 0.00 175.26 175.60 1xqq h ASP 52 N 0.52 0.19 -0.05 -0.19 3.32 -1.96 -3.36 116.42 114.88 1xqq h ASP 52 Ca -0.46 -0.84 -0.03 0.00 0.02 0.00 0.00 57.03 55.72 1xqq h ASP 52 Cb 1.19 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1xqq h ASP 52 CO 0.62 1.36 0.04 0.61 -1.72 0.00 0.00 179.24 180.15 1xqq n GLY 53 N 1.62 2.55 3.85 2.75 0.00 -1.26 -1.21 105.19 113.49 1xqq n GLY 53 Ca -0.20 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.18 2.24 0.49 1.61 0.52 -1.26 -4.98 118.95 117.39 1xqq s ARG 54 Ca 0.03 -2.13 0.08 0.00 -0.52 0.00 0.00 55.73 53.19 1xqq s ARG 54 Cb 0.02 -1.92 0.04 0.00 0.52 0.00 0.00 34.95 33.62 1xqq s ARG 54 CO 0.00 -0.51 0.62 0.95 0.02 0.00 0.00 175.30 176.37 1xqq s THR 55 N -2.80 2.54 0.33 0.02 -4.23 -1.26 -0.80 115.64 109.43 1xqq s THR 55 Ca 0.25 -1.08 0.20 0.00 -1.18 0.00 0.00 61.69 59.88 1xqq s THR 55 Cb -0.01 -2.62 0.18 0.00 1.34 0.00 0.00 72.50 71.40 1xqq s THR 55 CO 0.15 0.00 1.89 -0.07 -0.54 0.00 0.00 174.62 176.06 1xqq h LEU 56 N 0.52 0.00 0.00 4.79 3.38 -1.59 -3.20 115.31 119.22 1xqq h LEU 56 Ca -0.36 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.49 1xqq h LEU 56 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 1xqq h LEU 56 CO 0.46 0.27 -0.71 0.77 0.09 0.00 0.00 178.44 179.32 1xqq h SER 57 N 0.00 0.00 -1.00 -0.43 4.64 -1.74 -1.98 113.55 113.04 1xqq h SER 57 Ca -0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1xqq h SER 57 Cb 0.60 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.63 1xqq h SER 57 CO 0.04 0.51 0.65 -0.78 -0.87 0.00 0.00 176.83 176.38 1xqq h ASP 58 N 0.00 1.07 -0.15 4.97 3.58 -1.86 -3.15 116.42 120.88 1xqq h ASP 58 Ca -0.04 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1xqq h ASP 58 Cb 1.42 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1xqq h ASP 58 CO 0.06 0.71 0.00 -1.22 -2.88 0.00 0.00 179.24 175.91 1xqq n TYR 59 N -4.47 0.18 -3.05 0.28 4.01 -1.07 -4.94 117.16 108.11 1xqq n TYR 59 Ca 0.14 -0.09 -0.14 0.00 -0.16 0.00 0.00 57.90 57.65 1xqq n TYR 59 Cb 0.14 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.32 -4.60 -4.52 7.72 3.02 -0.93 -4.94 115.26 111.33 1xqq n ASN 60 Ca 0.17 -0.29 -0.43 0.00 -0.03 0.00 0.00 54.58 54.00 1xqq n ASN 60 Cb 0.34 -3.26 -0.06 0.00 -0.61 0.00 0.00 39.78 36.19 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 -3.12 4.68 0.83 2.41 1.01 -0.79 -5.01 121.20 121.20 1xqq s ILE 61 Ca 0.31 0.21 -0.10 0.00 0.00 0.00 0.00 60.65 61.07 1xqq s ILE 61 Cb -0.14 -4.32 0.13 0.00 0.01 0.00 0.00 42.46 38.15 1xqq s ILE 61 CO 0.39 -0.76 1.16 -1.10 0.00 0.00 0.00 174.94 174.63 1xqq s GLN 62 N 3.19 1.41 0.78 2.79 -0.21 -1.26 -4.66 119.66 121.70 1xqq s GLN 62 Ca 0.26 -0.44 -0.12 0.00 0.02 0.00 0.00 55.36 55.09 1xqq s GLN 62 Cb -0.14 -2.04 0.07 0.00 1.00 0.00 0.00 33.01 31.91 1xqq s GLN 62 CO 0.20 -1.82 1.12 -1.59 -2.12 0.00 0.00 175.29 171.08 1xqq s LYS 63 N -5.54 2.03 -1.90 2.91 -2.85 -1.26 -3.57 119.74 109.55 1xqq s LYS 63 Ca 0.67 1.36 0.00 0.00 -1.00 0.00 0.00 55.97 57.01 1xqq s LYS 63 Cb -0.07 -1.86 0.00 0.00 -2.06 0.00 0.00 37.83 33.85 1xqq s LYS 63 CO 0.49 -1.84 0.00 0.39 0.10 0.00 0.00 175.35 174.48 1xqq n GLU 64 N -3.43 -1.43 -2.74 1.78 1.02 0.12 -4.97 120.64 110.99 1xqq n GLU 64 Ca 0.10 1.06 -0.42 0.00 -0.02 0.00 0.00 57.16 57.88 1xqq n GLU 64 Cb 0.52 -5.42 -0.03 0.00 -0.02 0.00 0.00 31.44 26.49 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 -2.50 7.33 -0.31 1.62 0.01 -1.23 -4.85 113.70 113.76 1xqq s SER 65 Ca 0.00 1.61 -0.20 0.00 1.31 0.00 0.00 55.95 58.67 1xqq s SER 65 Cb 0.00 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1xqq s SER 65 CO 0.00 -0.26 0.63 -0.89 0.41 0.00 0.00 173.24 173.13 1xqq s THR 66 N 1.03 4.93 0.32 1.44 2.01 -1.26 -0.93 115.64 123.18 1xqq s THR 66 Ca 0.51 0.80 -0.05 0.00 0.31 0.00 0.00 61.69 63.26 1xqq s THR 66 Cb -0.21 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 1xqq s THR 66 CO 0.27 -0.17 0.59 -0.76 -0.69 0.00 0.00 174.62 173.85 1xqq s LEU 67 N 2.62 4.00 0.12 4.42 1.02 0.78 -4.79 118.68 126.86 1xqq s LEU 67 Ca 0.25 0.74 0.04 0.00 0.02 0.00 0.00 54.13 55.18 1xqq s LEU 67 Cb -0.15 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.45 1xqq s LEU 67 CO 0.12 -0.25 0.09 -1.00 0.02 0.00 0.00 176.35 175.33 1xqq s HIS 68 N -2.18 3.13 -0.22 0.29 3.76 -0.35 -2.77 115.29 116.95 1xqq s HIS 68 Ca 0.44 0.02 0.02 0.00 -0.15 0.00 0.00 55.06 55.39 1xqq s HIS 68 Cb -0.10 -1.55 0.05 0.00 1.11 0.00 0.00 32.58 32.08 1xqq s HIS 68 CO 0.32 0.52 -0.12 -1.17 -0.85 0.00 0.00 174.74 173.43 1xqq s LEU 69 N -2.70 2.74 0.00 0.89 2.96 0.24 0.24 118.68 123.06 1xqq s LEU 69 Ca 0.29 -1.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.13 1xqq s LEU 69 Cb -0.11 -1.40 -0.00 0.00 0.50 0.00 0.00 46.19 45.18 1xqq s LEU 69 CO 0.22 -0.15 0.01 1.33 -1.32 0.00 0.00 176.35 176.44 1xqq n VAL 70 N 4.57 0.00 -4.10 1.68 0.24 -0.95 -1.73 118.33 118.05 1xqq n VAL 70 Ca -0.15 -0.61 -0.32 0.00 -2.04 0.00 0.00 64.34 61.22 1xqq n VAL 70 Cb 0.45 0.13 -0.07 0.00 -1.47 0.00 0.00 33.84 32.89 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xqq s LEU 71 N 0.00 3.87 -0.04 1.34 2.96 -1.26 -2.41 118.68 123.14 1xqq s LEU 71 Ca 0.01 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 1xqq s LEU 71 Cb 0.00 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1xqq s LEU 71 CO 0.01 0.25 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.55 1xqq s ARG 72 N -1.88 2.49 0.16 1.98 3.52 0.14 -4.66 118.95 120.70 1xqq s ARG 72 Ca 0.24 -0.70 0.03 0.00 -0.13 0.00 0.00 55.73 55.17 1xqq s ARG 72 Cb -0.12 -2.39 -0.04 0.00 -1.56 0.00 0.00 34.95 30.84 1xqq s ARG 72 CO 0.16 0.62 0.24 -0.51 -0.81 0.00 0.00 175.30 175.00 1xqq s LEU 73 N -0.84 4.17 -0.20 -0.88 1.43 -1.26 -4.64 118.68 116.46 1xqq s LEU 73 Ca 0.12 0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 1xqq s LEU 73 Cb -0.11 -2.75 -0.07 0.00 0.03 0.00 0.00 46.19 43.29 1xqq s LEU 73 CO 0.01 0.05 2.17 -1.14 0.23 0.00 0.00 176.35 177.67 1xqq n ARG 74 N -0.56 1.94 0.00 1.70 0.63 -1.26 -4.06 116.66 115.05 1xqq n ARG 74 Ca -0.07 0.57 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 1xqq n ARG 74 Cb 0.54 -3.05 0.00 0.00 0.45 0.00 0.00 32.46 30.40 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xqq n GLY 75 N 5.67 0.77 0.00 5.14 0.00 -1.26 -5.27 105.19 110.24 1xqq n GLY 75 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93