#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 3.29 0.31 3.17 -0.21 -1.26 -0.15 119.66 124.80 1xqq s GLN 2 Ca 0.00 -0.68 0.11 0.00 0.02 0.00 0.00 55.36 54.81 1xqq s GLN 2 Cb 0.00 -2.86 -0.06 0.00 1.00 0.00 0.00 33.01 31.09 1xqq s GLN 2 CO 0.00 -0.15 -0.14 0.96 -2.12 0.00 0.00 175.29 173.83 1xqq s ILE 3 N 1.30 2.33 -0.08 1.08 -4.36 -0.99 -0.92 121.20 119.57 1xqq s ILE 3 Ca 0.04 -2.30 0.03 0.00 -0.26 0.00 0.00 60.65 58.16 1xqq s ILE 3 Cb -0.14 -2.47 0.01 0.00 1.25 0.00 0.00 42.46 41.10 1xqq s ILE 3 CO -0.05 -0.30 -0.17 -0.36 0.24 0.00 0.00 174.94 174.30 1xqq s PHE 4 N -2.58 1.93 -0.29 1.37 0.08 -0.87 -2.32 117.98 115.31 1xqq s PHE 4 Ca 0.31 -0.76 -0.02 0.00 0.12 0.00 0.00 56.93 56.58 1xqq s PHE 4 Cb -0.01 -1.35 0.04 0.00 -0.57 0.00 0.00 43.02 41.13 1xqq s PHE 4 CO 0.16 -0.34 -0.01 0.08 -0.10 0.00 0.00 175.22 175.01 1xqq s VAL 5 N 0.52 3.05 -0.11 -0.44 1.01 -0.19 -1.14 120.40 123.11 1xqq s VAL 5 Ca -0.16 -1.22 -0.30 0.00 0.00 0.00 0.00 61.98 60.30 1xqq s VAL 5 Cb -0.17 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1xqq s VAL 5 CO 0.06 -0.01 1.08 -0.75 0.00 0.00 0.00 175.10 175.48 1xqq s LYS 6 N 1.30 4.37 0.88 2.72 2.20 0.59 -1.85 119.74 129.96 1xqq s LYS 6 Ca -0.03 1.48 -0.11 0.00 -0.36 0.00 0.00 55.97 56.95 1xqq s LYS 6 Cb -0.19 -3.57 0.12 0.00 -1.51 0.00 0.00 37.83 32.68 1xqq s LYS 6 CO -0.02 -0.42 1.09 0.95 -0.36 0.00 0.00 175.35 176.60 1xqq s THR 7 N 2.32 2.72 0.34 3.43 -4.23 0.33 -1.96 115.64 118.58 1xqq s THR 7 Ca 0.50 0.23 0.38 0.00 -1.18 0.00 0.00 61.69 61.63 1xqq s THR 7 Cb -0.20 -2.70 0.40 0.00 1.34 0.00 0.00 72.50 71.35 1xqq s THR 7 CO 0.17 -0.31 2.15 0.25 -0.54 0.00 0.00 174.62 176.35 1xqq h LEU 8 N -1.52 0.00 0.00 4.79 5.85 -1.90 -3.14 115.31 119.39 1xqq h LEU 8 Ca -0.49 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 1xqq h LEU 8 Cb 1.28 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1xqq h LEU 8 CO 0.54 0.00 -1.36 0.35 -0.34 0.00 0.00 178.44 177.63 1xqq n THR 9 N -2.98 0.50 0.00 1.05 -2.24 -1.26 -4.97 114.28 104.37 1xqq n THR 9 Ca -0.01 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1xqq n THR 9 Cb 0.16 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1xqq n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xqq n GLY 10 N 1.23 1.56 3.72 3.38 0.00 -1.19 -5.12 105.19 108.79 1xqq n GLY 10 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.32 4.19 -0.26 1.61 2.20 -1.26 -4.95 119.74 120.94 1xqq s LYS 11 Ca 0.00 -0.19 -0.18 0.00 -0.36 0.00 0.00 55.97 55.23 1xqq s LYS 11 Cb 0.00 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.86 1xqq s LYS 11 CO 0.00 0.27 0.54 0.99 -0.36 0.00 0.00 175.35 176.79 1xqq s THR 12 N 0.44 5.05 -0.57 3.43 2.01 -1.26 -0.51 115.64 124.22 1xqq s THR 12 Ca 0.09 0.94 -0.24 0.00 0.31 0.00 0.00 61.69 62.79 1xqq s THR 12 Cb -0.11 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 68.58 1xqq s THR 12 CO -0.01 0.07 0.96 -0.63 -0.69 0.00 0.00 174.62 174.33 1xqq s ILE 13 N 2.36 4.35 -0.54 1.82 1.01 -0.77 -4.90 121.20 124.52 1xqq s ILE 13 Ca 0.22 0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.85 1xqq s ILE 13 Cb -0.16 -4.58 0.04 0.00 0.01 0.00 0.00 42.46 37.77 1xqq s ILE 13 CO 0.09 -1.19 0.99 -0.89 0.00 0.00 0.00 174.94 173.94 1xqq s THR 14 N 4.06 4.33 -0.07 2.92 2.01 -1.26 -1.02 115.64 126.60 1xqq s THR 14 Ca 0.30 0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.82 1xqq s THR 14 Cb -0.13 -4.56 -0.03 0.00 0.01 0.00 0.00 72.50 67.80 1xqq s THR 14 CO 0.18 -1.10 -0.07 -0.76 -0.69 0.00 0.00 174.62 172.18 1xqq s LEU 15 N 4.12 3.18 -0.18 4.42 1.43 -0.98 -5.03 118.68 125.64 1xqq s LEU 15 Ca 0.35 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 53.29 1xqq s LEU 15 Cb -0.11 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1xqq s LEU 15 CO 0.22 0.36 0.29 -1.61 0.23 0.00 0.00 176.35 175.84 1xqq s GLU 16 N -0.79 4.22 0.06 1.70 2.02 -1.26 -2.36 118.70 122.29 1xqq s GLU 16 Ca 0.12 0.06 0.01 0.00 0.02 0.00 0.00 54.97 55.18 1xqq s GLU 16 Cb -0.11 -3.46 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 1xqq s GLU 16 CO 0.01 0.17 -0.06 0.14 0.02 0.00 0.00 175.26 175.54 1xqq s VAL 17 N 0.69 0.49 -0.19 2.63 -7.23 0.78 -4.92 120.40 112.64 1xqq s VAL 17 Ca 0.16 -1.48 -0.09 0.00 -1.81 0.00 0.00 61.98 58.76 1xqq s VAL 17 Cb -0.13 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.67 1xqq s VAL 17 CO 0.04 -0.67 0.10 -1.61 -0.31 0.00 0.00 175.10 172.65 1xqq s GLU 18 N -2.74 4.09 0.40 4.82 0.41 -1.26 -0.11 118.70 124.31 1xqq s GLU 18 Ca -0.00 -0.28 0.28 0.00 -0.41 0.00 0.00 54.97 54.56 1xqq s GLU 18 Cb -0.02 -3.34 1.45 0.00 -1.78 0.00 0.00 34.13 30.44 1xqq s GLU 18 CO -0.03 0.28 1.84 -1.35 -0.49 0.00 0.00 175.26 175.50 1xqq h PRO 19 N 6.73 0.00 -0.01 0.39 0.11 -1.95 -2.33 132.00 134.93 1xqq h PRO 19 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1xqq h PRO 19 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xqq h PRO 19 CO 0.73 0.00 -0.26 -1.13 -0.21 0.00 0.00 178.00 177.13 1xqq n SER 20 N -2.48 1.67 -4.82 -2.05 3.41 -1.26 -1.89 113.62 106.20 1xqq n SER 20 Ca -0.01 -1.33 -0.33 0.00 -0.26 0.00 0.00 58.87 56.94 1xqq n SER 20 Cb 0.07 0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 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 -2.35 6.32 0.75 4.04 1.01 -0.88 -4.78 116.67 120.78 1xqq s ASP 21 Ca 0.25 1.73 -0.11 0.00 0.71 0.00 0.00 52.55 55.13 1xqq s ASP 21 Cb 0.19 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.63 1xqq s ASP 21 CO 0.48 -0.80 1.08 0.42 0.21 0.00 0.00 175.17 176.57 1xqq s THR 22 N -2.41 3.48 0.21 -1.27 -4.23 -1.26 -0.91 115.64 109.26 1xqq s THR 22 Ca 0.62 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 61.62 1xqq s THR 22 Cb -0.13 -3.24 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 1xqq s THR 22 CO 0.29 -0.63 1.54 0.40 -0.54 0.00 0.00 174.62 175.68 1xqq h ILE 23 N -0.91 1.34 -0.79 2.99 1.08 -0.87 -2.40 117.51 117.95 1xqq h ILE 23 Ca -0.46 -1.84 0.13 0.00 -0.39 0.00 0.00 64.86 62.30 1xqq h ILE 23 Cb 1.24 1.84 -0.09 0.00 -3.07 0.00 0.00 36.82 36.75 1xqq h ILE 23 CO 0.59 0.56 0.39 -0.08 -0.69 0.00 0.00 178.15 178.92 1xqq h GLU 24 N 0.32 0.58 0.00 2.37 4.81 -1.12 -0.15 114.58 121.40 1xqq h GLU 24 Ca 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1xqq h GLU 24 Cb 1.08 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 1xqq h GLU 24 CO 0.10 0.39 -0.15 -0.91 -0.73 0.00 0.00 179.01 177.71 1xqq h ASN 25 N 0.60 0.00 -0.39 1.04 2.35 -1.70 -2.26 115.58 115.21 1xqq h ASN 25 Ca 0.42 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.11 1xqq h ASN 25 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1xqq h ASN 25 CO -0.33 0.15 0.01 0.58 -1.65 0.00 0.00 177.43 176.18 1xqq h VAL 26 N 0.00 1.26 -0.92 2.81 2.07 -0.82 -3.28 116.25 117.36 1xqq h VAL 26 Ca -0.00 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.55 1xqq h VAL 26 Cb 0.67 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1xqq h VAL 26 CO 0.02 0.33 0.61 0.11 0.02 0.00 0.00 177.57 178.66 1xqq h LYS 27 N 0.51 1.20 0.00 1.57 1.57 -1.27 -2.60 116.57 117.55 1xqq h LYS 27 Ca 0.11 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1xqq h LYS 27 Cb 0.46 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1xqq h LYS 27 CO 0.02 0.79 -0.13 0.00 -0.57 0.00 0.00 179.45 179.56 1xqq h ALA 28 N 1.43 1.23 -0.02 3.86 0.00 -1.47 -1.27 119.26 123.02 1xqq h ALA 28 Ca 0.34 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 1xqq h ALA 28 Cb -0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xqq h ALA 28 CO -0.08 0.17 -0.81 0.87 0.00 0.00 0.00 179.25 179.40 1xqq h LYS 29 N 0.00 0.26 -0.04 0.00 1.57 -1.56 0.18 116.57 116.97 1xqq h LYS 29 Ca -0.00 -0.25 -0.24 0.00 -1.87 0.00 0.00 60.65 58.29 1xqq h LYS 29 Cb 0.40 0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.79 1xqq h LYS 29 CO 0.02 0.94 -0.90 0.82 -0.57 0.00 0.00 179.45 179.75 1xqq h ILE 30 N 0.16 1.30 -0.54 1.86 2.04 -1.22 0.15 117.51 121.26 1xqq h ILE 30 Ca -0.04 -2.14 0.11 0.00 1.00 0.00 0.00 64.86 63.79 1xqq h ILE 30 Cb 1.41 2.30 -0.09 0.00 -0.74 0.00 0.00 36.82 39.70 1xqq h ILE 30 CO 0.13 0.66 -0.03 -0.61 0.00 0.00 0.00 178.15 178.30 1xqq h GLN 31 N 0.36 0.08 -0.45 2.37 -0.00 -1.26 0.58 115.11 116.80 1xqq h GLN 31 Ca -0.10 -0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.48 1xqq h GLN 31 Cb 1.56 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 29.00 1xqq h GLN 31 CO 0.18 0.05 0.02 0.22 0.00 0.00 0.00 178.83 179.30 1xqq h ASP 32 N 0.08 0.77 0.02 -0.69 3.58 -0.53 -2.38 116.42 117.26 1xqq h ASP 32 Ca 0.27 -0.30 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 1xqq h ASP 32 Cb 0.42 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1xqq h ASP 32 CO -0.48 0.88 -0.01 0.11 -2.88 0.00 0.00 179.24 176.86 1xqq h LYS 33 N 0.63 -0.02 -0.02 0.28 1.79 -0.71 -3.40 116.57 115.12 1xqq h LYS 33 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1xqq h LYS 33 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1xqq h LYS 33 CO 0.02 -0.01 -0.18 0.39 -1.08 0.00 0.00 179.45 178.59 1xqq n GLU 34 N -2.13 1.75 -1.36 3.15 -0.58 0.17 -4.98 120.64 116.66 1xqq n GLU 34 Ca -0.00 -1.38 -0.08 0.00 -0.42 0.00 0.00 57.16 55.28 1xqq n GLU 34 Cb 0.01 -1.47 -0.03 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 1.35 0.85 3.73 0.62 0.00 -0.90 -4.95 105.19 105.89 1xqq n GLY 35 Ca 0.13 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.31 5.38 0.56 -0.61 1.01 -1.25 -4.91 121.20 119.08 1xqq s ILE 36 Ca 0.00 0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.78 1xqq s ILE 36 Cb 0.00 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 1xqq s ILE 36 CO 0.00 0.43 1.03 -2.16 0.00 0.00 0.00 174.94 174.23 1xqq s PRO 37 N 0.38 3.60 0.44 2.79 0.04 -1.26 -3.64 135.00 137.34 1xqq s PRO 37 Ca 0.10 1.08 0.14 0.00 0.04 0.00 0.00 61.00 62.36 1xqq s PRO 37 Cb -0.12 -2.08 0.96 0.00 0.04 0.00 0.00 34.50 33.31 1xqq s PRO 37 CO -0.00 -0.57 1.97 -1.00 0.04 0.00 0.00 177.00 177.44 1xqq h PRO 38 N 0.61 0.02 -0.14 0.56 0.13 -1.94 -3.04 132.00 128.20 1xqq h PRO 38 Ca -0.47 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1xqq h PRO 38 Cb 1.20 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1xqq h PRO 38 CO 0.59 0.21 -0.10 0.38 -0.23 0.00 0.00 178.00 178.86 1xqq h ASP 39 N 0.02 0.20 0.11 1.44 2.03 -2.01 -2.20 116.42 116.01 1xqq h ASP 39 Ca 0.00 -0.04 -0.13 0.00 -0.73 0.00 0.00 57.03 56.13 1xqq h ASP 39 Cb 0.35 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 38.79 1xqq h ASP 39 CO 0.03 0.33 -0.46 -0.61 -1.03 0.00 0.00 179.24 177.49 1xqq h GLN 40 N 0.21 0.43 -5.91 4.15 4.15 -1.89 -3.44 115.11 112.81 1xqq h GLN 40 Ca 0.05 -0.23 -0.52 0.00 0.77 0.00 0.00 58.65 58.72 1xqq h GLN 40 Cb 0.31 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1xqq h GLN 40 CO 0.02 0.80 1.46 -0.65 -1.93 0.00 0.00 178.83 178.53 1xqq s GLN 41 N -4.09 2.67 -0.22 1.69 -0.21 -0.83 -3.51 119.66 115.15 1xqq s GLN 41 Ca -0.06 1.31 -0.09 0.00 0.02 0.00 0.00 55.36 56.55 1xqq s GLN 41 Cb 0.12 -4.42 -0.04 0.00 1.00 0.00 0.00 33.01 29.67 1xqq s GLN 41 CO 0.81 -2.64 0.11 0.50 -2.12 0.00 0.00 175.29 171.94 1xqq s ARG 42 N 7.08 3.93 -0.07 2.91 3.52 -1.15 -4.90 118.95 130.28 1xqq s ARG 42 Ca 0.87 -0.35 -0.11 0.00 -0.13 0.00 0.00 55.73 56.01 1xqq s ARG 42 Cb -0.20 -3.38 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 1xqq s ARG 42 CO 0.28 0.06 0.28 -0.51 -0.81 0.00 0.00 175.30 174.59 1xqq s LEU 43 N 0.99 4.42 -0.08 -0.88 1.43 -1.26 -2.29 118.68 121.01 1xqq s LEU 43 Ca 0.05 0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1xqq s LEU 43 Cb -0.14 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.78 1xqq s LEU 43 CO 0.03 0.35 -0.04 -0.63 0.23 0.00 0.00 176.35 176.29 1xqq s ILE 44 N -0.93 0.64 -0.39 -0.59 1.01 -0.61 -3.44 121.20 116.90 1xqq s ILE 44 Ca 0.19 -0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.57 1xqq s ILE 44 Cb -0.14 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.62 1xqq s ILE 44 CO 0.08 0.29 0.55 0.12 0.00 0.00 0.00 174.94 175.98 1xqq s PHE 45 N 1.63 3.14 0.00 3.97 5.36 -0.92 -0.24 117.98 130.92 1xqq s PHE 45 Ca 0.01 0.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 1xqq s PHE 45 Cb -0.13 -3.06 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 1xqq s PHE 45 CO -0.05 -0.67 0.00 0.00 -1.46 0.00 0.00 175.22 173.04 1xqq n ALA 46 N 5.90 0.00 -2.39 11.12 0.00 -1.26 -0.14 120.51 133.73 1xqq n ALA 46 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.43 1xqq n ALA 46 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 0.89 3.70 0.00 0.00 -1.26 -4.98 105.19 103.54 1xqq n GLY 47 Ca 0.00 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 3.34 -0.24 1.61 1.02 0.80 -5.10 119.74 121.16 1xqq s LYS 48 Ca 0.26 -0.34 -0.11 0.00 0.02 0.00 0.00 55.97 55.80 1xqq s LYS 48 Cb 0.30 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1xqq s LYS 48 CO -0.13 0.59 0.19 1.14 -0.92 0.00 0.00 175.35 176.22 1xqq s GLN 49 N -0.55 4.06 -0.10 1.68 -2.07 -1.26 -2.17 119.66 119.24 1xqq s GLN 49 Ca 0.10 -0.23 -0.10 0.00 -1.82 0.00 0.00 55.36 53.30 1xqq s GLN 49 Cb -0.12 -3.56 -0.05 0.00 -1.09 0.00 0.00 33.01 28.19 1xqq s GLN 49 CO 0.02 0.01 0.24 -0.51 -1.32 0.00 0.00 175.29 173.72 1xqq s LEU 50 N 1.21 4.37 -0.07 2.60 1.43 -1.22 -5.02 118.68 121.99 1xqq s LEU 50 Ca 0.08 0.58 0.05 0.00 -1.03 0.00 0.00 54.13 53.82 1xqq s LEU 50 Cb -0.14 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 1xqq s LEU 50 CO 0.06 0.31 -0.23 -1.61 0.23 0.00 0.00 176.35 175.12 1xqq s GLU 51 N -0.65 2.65 0.40 1.70 0.41 -1.26 -4.77 118.70 117.18 1xqq s GLU 51 Ca 0.17 -0.86 0.24 0.00 -0.41 0.00 0.00 54.97 54.11 1xqq s GLU 51 Cb -0.13 -2.24 1.29 0.00 -1.78 0.00 0.00 34.13 31.27 1xqq s GLU 51 CO 0.06 0.39 1.65 -0.44 -0.49 0.00 0.00 175.26 176.43 1xqq h ASP 52 N 6.06 0.34 -0.30 -0.19 5.19 -1.97 -0.98 116.42 124.57 1xqq h ASP 52 Ca -0.33 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 1xqq h ASP 52 Cb 1.18 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1xqq h ASP 52 CO 0.48 -0.16 0.00 0.61 -3.12 0.00 0.00 179.24 177.06 1xqq n GLY 53 N -1.44 3.01 3.93 2.75 0.00 -1.26 -0.56 105.19 111.62 1xqq n GLY 53 Ca 0.34 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.31 3.48 0.42 1.61 1.81 -0.37 -4.88 118.95 119.71 1xqq s ARG 54 Ca 0.24 -0.10 0.08 0.00 -1.72 0.00 0.00 55.73 54.24 1xqq s ARG 54 Cb 0.15 -2.52 -0.01 0.00 -0.45 0.00 0.00 34.95 32.12 1xqq s ARG 54 CO 0.13 -0.04 0.46 0.95 -0.68 0.00 0.00 175.30 176.12 1xqq s THR 55 N -2.53 2.80 0.23 0.02 -4.23 -1.26 -1.82 115.64 108.85 1xqq s THR 55 Ca 0.44 -1.19 -0.07 0.00 -1.18 0.00 0.00 61.69 59.69 1xqq s THR 55 Cb -0.10 -2.99 0.19 0.00 1.34 0.00 0.00 72.50 70.94 1xqq s THR 55 CO 0.40 0.00 1.85 -0.07 -0.54 0.00 0.00 174.62 176.26 1xqq h LEU 56 N 0.85 0.80 -2.17 4.79 3.38 -1.11 -2.65 115.31 119.20 1xqq h LEU 56 Ca -0.41 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1xqq h LEU 56 Cb 1.27 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1xqq h LEU 56 CO 0.52 0.53 0.00 0.77 0.09 0.00 0.00 178.44 180.35 1xqq h SER 57 N 0.94 0.00 0.11 -0.43 4.64 -1.64 0.40 113.55 117.57 1xqq h SER 57 Ca 0.34 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.40 1xqq h SER 57 Cb 0.12 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1xqq h SER 57 CO -0.15 0.00 -1.09 -0.78 -0.87 0.00 0.00 176.83 173.94 1xqq h ASP 58 N 0.00 0.76 0.74 4.97 3.58 -1.80 -3.23 116.42 121.45 1xqq h ASP 58 Ca 0.00 -0.84 0.00 0.00 0.42 0.00 0.00 57.03 56.61 1xqq h ASP 58 Cb 0.13 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.94 1xqq h ASP 58 CO 0.00 1.53 -0.32 -1.22 -2.88 0.00 0.00 179.24 176.34 1xqq n TYR 59 N -3.91 0.09 -2.46 0.28 4.01 -1.23 -4.96 117.16 108.98 1xqq n TYR 59 Ca -0.13 0.03 -0.07 0.00 -0.16 0.00 0.00 57.90 57.56 1xqq n TYR 59 Cb 0.92 -0.40 0.04 0.00 -0.31 0.00 0.00 39.34 39.58 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 -1.59 -3.02 -4.52 7.72 3.02 -1.13 -5.01 115.26 110.72 1xqq n ASN 60 Ca 0.06 -0.30 -0.43 0.00 -0.03 0.00 0.00 54.58 53.88 1xqq n ASN 60 Cb 0.35 -2.58 -0.05 0.00 -0.61 0.00 0.00 39.78 36.89 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 -3.17 4.65 0.74 2.41 1.01 0.12 -5.01 121.20 121.95 1xqq s ILE 61 Ca 0.10 0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.94 1xqq s ILE 61 Cb -0.01 -4.34 0.12 0.00 0.01 0.00 0.00 42.46 38.24 1xqq s ILE 61 CO 0.33 -0.79 1.03 -1.10 0.00 0.00 0.00 174.94 174.41 1xqq s GLN 62 N 3.27 1.64 0.30 2.79 -0.21 -1.26 -4.67 119.66 121.52 1xqq s GLN 62 Ca 0.27 -0.87 -0.29 0.00 0.02 0.00 0.00 55.36 54.49 1xqq s GLN 62 Cb -0.13 -2.25 -0.10 0.00 1.00 0.00 0.00 33.01 31.53 1xqq s GLN 62 CO 0.20 -1.52 1.25 -1.59 -2.12 0.00 0.00 175.29 171.52 1xqq s LYS 63 N -5.24 4.43 -0.83 2.91 -2.85 -1.26 -3.80 119.74 113.10 1xqq s LYS 63 Ca 0.66 2.09 -0.03 0.00 -1.00 0.00 0.00 55.97 57.70 1xqq s LYS 63 Cb -0.06 -3.12 -0.00 0.00 -2.06 0.00 0.00 37.83 32.59 1xqq s LYS 63 CO 0.45 -0.09 0.67 0.39 0.10 0.00 0.00 175.35 176.87 1xqq n GLU 64 N 1.12 -1.41 -4.34 1.78 1.02 -0.09 -5.03 120.64 113.68 1xqq n GLU 64 Ca 0.00 1.06 -0.21 0.00 -0.02 0.00 0.00 57.16 57.99 1xqq n GLU 64 Cb 0.43 -4.11 -0.11 0.00 -0.02 0.00 0.00 31.44 27.63 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 -3.05 2.70 -0.11 1.62 0.01 -1.25 -5.05 113.70 108.57 1xqq s SER 65 Ca 0.06 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 56.42 1xqq s SER 65 Cb -0.02 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.07 1xqq s SER 65 CO 0.82 -0.07 -0.13 -0.89 0.41 0.00 0.00 173.24 173.38 1xqq s THR 66 N -2.36 1.38 0.37 1.44 2.01 -1.26 -2.05 115.64 115.18 1xqq s THR 66 Ca 0.19 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 61.70 1xqq s THR 66 Cb -0.04 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1xqq s THR 66 CO 0.07 0.42 0.26 -0.76 -0.69 0.00 0.00 174.62 173.92 1xqq s LEU 67 N 1.09 3.37 0.09 4.42 1.02 -0.29 -4.61 118.68 123.77 1xqq s LEU 67 Ca -0.05 -0.74 0.02 0.00 0.02 0.00 0.00 54.13 53.38 1xqq s LEU 67 Cb -0.14 -1.92 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 1xqq s LEU 67 CO -0.03 -0.46 -0.07 -1.38 0.02 0.00 0.00 176.35 174.43 1xqq s HIS 68 N -2.44 0.87 -0.06 0.29 -3.43 0.67 -0.30 115.29 110.91 1xqq s HIS 68 Ca 0.42 -0.86 0.05 0.00 -0.80 0.00 0.00 55.06 53.87 1xqq s HIS 68 Cb -0.03 -0.51 -0.02 0.00 -1.43 0.00 0.00 32.58 30.60 1xqq s HIS 68 CO 0.25 -0.14 -0.22 -1.17 -2.00 0.00 0.00 174.74 171.47 1xqq s LEU 69 N -2.87 2.28 0.27 5.38 2.96 -0.83 -1.57 118.68 124.30 1xqq s LEU 69 Ca 0.09 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.54 1xqq s LEU 69 Cb 0.03 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 1xqq s LEU 69 CO -0.04 0.28 0.37 0.68 -1.32 0.00 0.00 176.35 176.32 1xqq s VAL 70 N -0.34 0.00 0.51 1.68 -7.23 -0.97 -3.66 120.40 110.39 1xqq s VAL 70 Ca 0.02 -1.66 -0.20 0.00 -1.81 0.00 0.00 61.98 58.33 1xqq s VAL 70 Cb -0.12 -2.43 -0.08 0.00 0.56 0.00 0.00 36.38 34.31 1xqq s VAL 70 CO 0.02 0.00 1.06 -0.76 -0.31 0.00 0.00 175.10 175.11 1xqq s LEU 71 N -3.14 3.79 -0.30 1.32 1.43 -1.26 -2.93 118.68 117.59 1xqq s LEU 71 Ca 0.30 1.96 -0.09 0.00 -1.03 0.00 0.00 54.13 55.27 1xqq s LEU 71 Cb 0.02 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.67 1xqq s LEU 71 CO 0.14 -0.90 0.14 -0.60 0.23 0.00 0.00 176.35 175.37 1xqq s ARG 72 N -3.33 3.40 0.00 1.70 3.52 -1.23 -4.76 118.95 118.25 1xqq s ARG 72 Ca 0.68 -0.68 -0.19 0.00 -0.13 0.00 0.00 55.73 55.41 1xqq s ARG 72 Cb -0.18 -3.54 -0.28 0.00 -1.56 0.00 0.00 34.95 29.39 1xqq s ARG 72 CO 0.23 -0.38 1.02 1.25 -0.81 0.00 0.00 175.30 176.61 1xqq h LEU 73 N 8.34 0.62 -9.75 -0.88 5.85 -1.93 -3.47 115.31 114.07 1xqq h LEU 73 Ca -0.33 -0.85 -0.50 0.00 0.84 0.00 0.00 57.88 57.04 1xqq h LEU 73 Cb 1.15 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1xqq h LEU 73 CO 0.61 1.41 0.29 0.00 -0.34 0.00 0.00 178.44 180.41 1xqq s ARG 74 N -2.85 4.74 0.00 1.25 1.70 -1.26 -4.99 118.95 117.54 1xqq s ARG 74 Ca -0.12 1.36 0.24 0.00 -0.47 0.00 0.00 55.73 56.74 1xqq s ARG 74 Cb 0.03 -3.24 0.42 0.00 -0.57 0.00 0.00 34.95 31.59 1xqq s ARG 74 CO 0.86 0.52 1.39 0.41 -1.08 0.00 0.00 175.30 177.40 1xqq n GLY 75 N 1.45 1.16 0.00 3.88 0.00 -1.26 -5.08 105.19 105.34 1xqq n GLY 75 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93