#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 3.75 0.17 3.17 0.74 -1.26 -2.32 119.66 123.92 1xqq s GLN 2 Ca 0.00 0.19 0.06 0.00 0.05 0.00 0.00 55.36 55.66 1xqq s GLN 2 Cb 0.00 -3.79 -0.04 0.00 1.10 0.00 0.00 33.01 30.28 1xqq s GLN 2 CO 0.00 -0.73 0.10 0.96 -0.55 0.00 0.00 175.29 175.07 1xqq s ILE 3 N 2.79 4.25 -0.20 -2.34 -4.36 -0.64 0.31 121.20 121.00 1xqq s ILE 3 Ca 0.26 -1.22 0.01 0.00 -0.26 0.00 0.00 60.65 59.45 1xqq s ILE 3 Cb -0.14 -3.17 0.03 0.00 1.25 0.00 0.00 42.46 40.43 1xqq s ILE 3 CO 0.15 -0.13 -0.15 -0.36 0.24 0.00 0.00 174.94 174.68 1xqq s PHE 4 N -1.78 2.78 -0.31 1.37 0.08 -1.20 -2.85 117.98 116.07 1xqq s PHE 4 Ca 0.30 -1.77 -0.02 0.00 0.12 0.00 0.00 56.93 55.56 1xqq s PHE 4 Cb -0.10 -1.84 0.05 0.00 -0.57 0.00 0.00 43.02 40.57 1xqq s PHE 4 CO 0.22 -0.80 0.02 0.08 -0.10 0.00 0.00 175.22 174.64 1xqq s VAL 5 N 1.28 3.05 -0.17 -0.44 1.01 -1.09 0.25 120.40 124.29 1xqq s VAL 5 Ca 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 61.98 60.49 1xqq s VAL 5 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1xqq s VAL 5 CO -0.10 -0.15 0.11 -0.75 0.00 0.00 0.00 175.10 174.21 1xqq s LYS 6 N 1.25 3.91 0.70 2.72 2.20 0.79 -0.98 119.74 130.34 1xqq s LYS 6 Ca -0.04 -0.24 -0.05 0.00 -0.36 0.00 0.00 55.97 55.28 1xqq s LYS 6 Cb -0.20 -3.29 0.08 0.00 -1.51 0.00 0.00 37.83 32.91 1xqq s LYS 6 CO -0.01 0.42 1.00 0.95 -0.36 0.00 0.00 175.35 177.34 1xqq s THR 7 N -0.00 2.30 0.10 3.43 -4.23 0.49 -0.61 115.64 117.12 1xqq s THR 7 Ca 0.09 -0.36 -0.14 0.00 -1.18 0.00 0.00 61.69 60.10 1xqq s THR 7 Cb -0.12 -2.94 -0.09 0.00 1.34 0.00 0.00 72.50 70.69 1xqq s THR 7 CO 0.00 0.00 1.41 0.25 -0.54 0.00 0.00 174.62 175.74 1xqq h LEU 8 N -0.56 0.79 -1.83 4.79 5.85 -1.87 -2.90 115.31 119.57 1xqq h LEU 8 Ca -0.43 -0.49 0.09 0.00 0.84 0.00 0.00 57.88 57.89 1xqq h LEU 8 Cb 1.30 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1xqq h LEU 8 CO 0.55 1.12 0.30 0.71 -0.34 0.00 0.00 178.44 180.78 1xqq h THR 9 N 0.47 0.88 0.00 1.05 1.35 -1.94 -3.46 112.91 111.26 1xqq h THR 9 Ca 0.04 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1xqq h THR 9 Cb 0.92 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1xqq h THR 9 CO 0.08 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1xqq n GLY 10 N -1.56 1.27 3.93 5.82 0.00 -1.09 -5.11 105.19 108.45 1xqq n GLY 10 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.15 3.45 -0.37 1.61 2.20 -1.26 -4.88 119.74 120.35 1xqq s LYS 11 Ca 0.00 -0.50 -0.05 0.00 -0.36 0.00 0.00 55.97 55.06 1xqq s LYS 11 Cb 0.00 -2.98 0.07 0.00 -1.51 0.00 0.00 37.83 33.41 1xqq s LYS 11 CO 0.00 0.54 0.14 0.99 -0.36 0.00 0.00 175.35 176.66 1xqq s THR 12 N -1.67 3.58 -0.52 3.43 2.01 -1.26 -0.38 115.64 120.84 1xqq s THR 12 Ca 0.35 -1.49 -0.28 0.00 0.31 0.00 0.00 61.69 60.59 1xqq s THR 12 Cb -0.12 -3.18 0.03 0.00 0.01 0.00 0.00 72.50 69.24 1xqq s THR 12 CO 0.28 -0.37 1.11 -0.63 -0.69 0.00 0.00 174.62 174.32 1xqq s ILE 13 N 1.31 4.19 0.20 1.82 1.01 -0.15 -4.92 121.20 124.66 1xqq s ILE 13 Ca 0.01 0.96 -0.30 0.00 0.00 0.00 0.00 60.65 61.32 1xqq s ILE 13 Cb -0.21 -4.62 -0.08 0.00 0.01 0.00 0.00 42.46 37.56 1xqq s ILE 13 CO -0.00 -1.12 1.00 0.42 0.00 0.00 0.00 174.94 175.24 1xqq s THR 14 N 4.50 4.07 -0.01 2.92 -4.23 -1.26 -2.68 115.64 118.95 1xqq s THR 14 Ca 0.43 1.92 0.02 0.00 -1.18 0.00 0.00 61.69 62.88 1xqq s THR 14 Cb -0.08 -4.22 -0.00 0.00 1.34 0.00 0.00 72.50 69.54 1xqq s THR 14 CO 0.28 0.39 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.93 1xqq s LEU 15 N -0.76 1.96 -0.40 4.79 1.43 -1.13 -5.03 118.68 119.55 1xqq s LEU 15 Ca 0.45 -0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 53.26 1xqq s LEU 15 Cb -0.27 -0.33 0.01 0.00 0.03 0.00 0.00 46.19 45.64 1xqq s LEU 15 CO 0.33 0.07 0.47 -0.70 0.23 0.00 0.00 176.35 176.75 1xqq s GLU 16 N -0.07 3.28 0.13 1.70 2.56 -1.26 -1.63 118.70 123.41 1xqq s GLU 16 Ca 0.01 -0.55 0.02 0.00 0.00 0.00 0.00 54.97 54.46 1xqq s GLU 16 Cb -0.03 -3.91 -0.04 0.00 2.00 0.00 0.00 34.13 32.14 1xqq s GLU 16 CO -0.00 -0.80 -0.03 0.14 -0.56 0.00 0.00 175.26 174.01 1xqq s VAL 17 N 2.28 0.66 0.39 3.70 -7.23 -0.98 -4.86 120.40 114.36 1xqq s VAL 17 Ca 0.15 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.41 1xqq s VAL 17 Cb -0.16 -1.90 -0.00 0.00 0.56 0.00 0.00 36.38 34.87 1xqq s VAL 17 CO 0.14 -0.67 0.55 -1.61 -0.31 0.00 0.00 175.10 173.20 1xqq s GLU 18 N -3.88 3.02 0.66 4.82 0.41 -1.26 0.13 118.70 122.61 1xqq s GLU 18 Ca 0.18 -0.91 0.42 0.00 -0.41 0.00 0.00 54.97 54.25 1xqq s GLU 18 Cb 0.06 -2.73 2.27 0.00 -1.78 0.00 0.00 34.13 31.95 1xqq s GLU 18 CO -0.00 -0.12 2.28 -1.35 -0.49 0.00 0.00 175.26 175.58 1xqq h PRO 19 N 0.68 0.00 -0.67 0.39 0.11 -1.95 -2.80 132.00 127.76 1xqq h PRO 19 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xqq h PRO 19 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xqq h PRO 19 CO 0.53 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.75 1xqq n SER 20 N -3.03 4.21 -4.72 -2.05 7.64 -1.26 -1.12 113.62 113.29 1xqq n SER 20 Ca -0.03 -2.26 -0.40 0.00 1.01 0.00 0.00 58.87 57.19 1xqq n SER 20 Cb 0.13 -0.53 -0.04 0.00 -1.01 0.00 0.00 64.21 62.76 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 -0.92 7.15 1.02 6.43 1.01 -1.06 -4.87 116.67 125.43 1xqq s ASP 21 Ca 0.48 1.38 -0.11 0.00 0.71 0.00 0.00 52.55 55.00 1xqq s ASP 21 Cb 0.28 -2.47 0.19 0.00 1.01 0.00 0.00 42.92 41.94 1xqq s ASP 21 CO 0.27 -0.12 1.02 0.35 0.21 0.00 0.00 175.17 176.89 1xqq n THR 22 N 3.56 0.00 0.41 -1.27 -2.24 -1.26 -2.65 114.28 110.82 1xqq n THR 22 Ca 0.00 -0.18 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 1xqq n THR 22 Cb 0.51 -0.96 0.41 0.00 -2.10 0.00 0.00 70.33 68.19 1xqq n THR 22 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1xqq h ILE 23 N -2.18 0.00 -0.12 2.28 1.08 0.13 -0.69 117.51 118.01 1xqq h ILE 23 Ca -0.50 -0.57 -0.04 0.00 -0.39 0.00 0.00 64.86 63.36 1xqq h ILE 23 Cb 1.30 1.51 -0.00 0.00 -3.07 0.00 0.00 36.82 36.56 1xqq h ILE 23 CO 0.43 0.00 -0.09 -0.08 -0.69 0.00 0.00 178.15 177.73 1xqq h GLU 24 N 0.00 0.27 0.00 2.37 4.81 -1.26 -2.49 114.58 118.29 1xqq h GLU 24 Ca 0.00 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 1xqq h GLU 24 Cb 0.69 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1xqq h GLU 24 CO 0.00 0.65 -0.31 -0.91 -0.73 0.00 0.00 179.01 177.71 1xqq h ASN 25 N -0.11 0.00 -0.34 1.04 2.35 -1.43 0.44 115.58 117.53 1xqq h ASN 25 Ca 0.02 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.85 1xqq h ASN 25 Cb 0.58 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.87 1xqq h ASN 25 CO 0.02 0.31 -0.17 0.58 -1.65 0.00 0.00 177.43 176.52 1xqq h VAL 26 N 0.00 0.48 -0.26 2.81 2.07 -1.18 0.11 116.25 120.28 1xqq h VAL 26 Ca -0.00 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.33 1xqq h VAL 26 Cb 0.56 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1xqq h VAL 26 CO 0.04 0.00 -0.56 0.11 0.02 0.00 0.00 177.57 177.18 1xqq h LYS 27 N -0.12 0.84 -0.42 1.57 1.57 -0.95 -1.98 116.57 117.07 1xqq h LYS 27 Ca 0.17 -0.55 0.08 0.00 -1.87 0.00 0.00 60.65 58.48 1xqq h LYS 27 Cb 0.39 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 1xqq h LYS 27 CO -0.42 1.18 -0.05 0.00 -0.57 0.00 0.00 179.45 179.60 1xqq h ALA 28 N 0.65 0.34 -0.57 3.86 0.00 -0.91 0.15 119.26 122.78 1xqq h ALA 28 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1xqq h ALA 28 Cb 1.17 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1xqq h ALA 28 CO 0.12 -0.42 0.23 -0.22 0.00 0.00 0.00 179.25 178.96 1xqq h LYS 29 N 0.06 0.83 -0.32 0.00 3.64 -0.48 -2.39 116.57 117.90 1xqq h LYS 29 Ca 0.21 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1xqq h LYS 29 Cb 0.31 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1xqq h LYS 29 CO -0.39 0.68 0.17 0.82 -2.27 0.00 0.00 179.45 178.46 1xqq h ILE 30 N 0.82 1.01 -0.76 2.00 2.04 -0.81 -0.68 117.51 121.14 1xqq h ILE 30 Ca 0.20 -0.12 0.11 0.00 1.00 0.00 0.00 64.86 66.04 1xqq h ILE 30 Cb 0.16 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1xqq h ILE 30 CO -0.02 0.07 0.50 -0.61 0.00 0.00 0.00 178.15 178.08 1xqq h GLN 31 N 0.36 0.61 -0.22 2.37 4.15 -0.25 0.32 115.11 122.45 1xqq h GLN 31 Ca 0.13 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.39 1xqq h GLN 31 Cb 0.02 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 1xqq h GLN 31 CO -0.07 0.40 -0.35 0.22 -1.93 0.00 0.00 178.83 177.10 1xqq h ASP 32 N 0.63 0.69 0.04 -0.69 3.58 -1.16 -1.89 116.42 117.62 1xqq h ASP 32 Ca 0.35 -0.52 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 1xqq h ASP 32 Cb 0.53 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1xqq h ASP 32 CO -0.13 1.08 -0.02 0.50 -2.88 0.00 0.00 179.24 177.79 1xqq h LYS 33 N 0.32 -0.05 0.01 0.28 3.64 0.01 -3.41 116.57 117.37 1xqq h LYS 33 Ca 0.02 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.26 1xqq h LYS 33 Cb 0.94 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1xqq h LYS 33 CO 0.08 0.21 -0.77 0.93 -2.27 0.00 0.00 179.45 177.63 1xqq h GLU 34 N -1.00 0.01 0.00 1.90 4.39 -0.54 -3.49 114.58 115.85 1xqq h GLU 34 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1xqq h GLU 34 Cb 0.28 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1xqq h GLU 34 CO 0.01 1.01 0.00 0.41 -1.16 0.00 0.00 179.01 179.28 1xqq n GLY 35 N 1.52 1.89 3.50 -3.84 0.00 -0.71 -5.03 105.19 102.52 1xqq n GLY 35 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.00 4.48 0.47 -0.61 1.01 -1.26 -4.99 121.20 118.30 1xqq s ILE 36 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 1xqq s ILE 36 Cb 0.00 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1xqq s ILE 36 CO 0.00 0.37 0.77 -2.16 0.00 0.00 0.00 174.94 173.92 1xqq s PRO 37 N 1.26 3.55 0.00 2.79 0.04 -1.26 -3.07 135.00 138.31 1xqq s PRO 37 Ca 0.05 0.18 0.06 0.00 0.04 0.00 0.00 61.00 61.33 1xqq s PRO 37 Cb -0.15 -2.39 0.27 0.00 0.04 0.00 0.00 34.50 32.27 1xqq s PRO 37 CO 0.04 -0.18 1.18 -0.35 0.04 0.00 0.00 177.00 177.73 1xqq n PRO 38 N -2.19 0.01 0.08 0.56 -0.04 -1.26 -3.34 135.00 128.81 1xqq n PRO 38 Ca 0.00 0.37 -0.15 0.00 -0.04 0.00 0.00 63.50 63.69 1xqq n PRO 38 Cb 0.55 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xqq h ASP 39 N 0.00 0.35 1.63 3.54 5.19 -1.98 -3.24 116.42 121.91 1xqq h ASP 39 Ca 0.00 -0.43 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1xqq h ASP 39 Cb 0.10 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1xqq h ASP 39 CO 0.00 1.35 -0.31 1.56 -3.12 0.00 0.00 179.24 178.72 1xqq h GLN 40 N 0.06 0.00 -5.71 3.56 4.20 -1.88 -3.43 115.11 111.90 1xqq h GLN 40 Ca -0.18 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.95 1xqq h GLN 40 Cb 1.97 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.67 1xqq h GLN 40 CO 0.17 0.00 -0.06 -0.65 -0.67 0.00 0.00 178.83 177.62 1xqq s GLN 41 N -3.25 4.30 -0.15 1.46 -0.21 -1.23 -0.83 119.66 119.76 1xqq s GLN 41 Ca 0.05 0.51 0.02 0.00 0.02 0.00 0.00 55.36 55.96 1xqq s GLN 41 Cb 0.07 -3.48 0.01 0.00 1.00 0.00 0.00 33.01 30.61 1xqq s GLN 41 CO 0.70 0.03 -0.21 0.50 -2.12 0.00 0.00 175.29 174.20 1xqq s ARG 42 N 1.01 2.95 -0.04 2.91 3.52 0.13 -4.90 118.95 124.54 1xqq s ARG 42 Ca 0.27 -0.82 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 1xqq s ARG 42 Cb -0.16 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.77 1xqq s ARG 42 CO 0.11 -0.07 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.91 1xqq s LEU 43 N 0.96 2.96 -0.02 -0.88 1.43 -1.26 -0.69 118.68 121.18 1xqq s LEU 43 Ca -0.04 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1xqq s LEU 43 Cb -0.15 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.43 1xqq s LEU 43 CO -0.05 0.33 -0.04 -0.63 0.23 0.00 0.00 176.35 176.19 1xqq s ILE 44 N -0.83 0.40 -0.26 -0.59 1.01 -0.20 -0.82 121.20 119.90 1xqq s ILE 44 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1xqq s ILE 44 Cb -0.11 -0.39 0.04 0.00 0.01 0.00 0.00 42.46 42.01 1xqq s ILE 44 CO 0.03 0.15 -0.08 0.12 0.00 0.00 0.00 174.94 175.16 1xqq s PHE 45 N 0.41 3.16 0.00 3.97 5.36 -0.44 -0.73 117.98 129.70 1xqq s PHE 45 Ca -0.05 -1.94 0.00 0.00 -0.96 0.00 0.00 56.93 53.98 1xqq s PHE 45 Cb -0.08 -2.01 0.00 0.00 -0.34 0.00 0.00 43.02 40.59 1xqq s PHE 45 CO -0.00 -0.82 0.00 0.00 -1.46 0.00 0.00 175.22 172.94 1xqq n ALA 46 N 4.56 0.00 0.46 11.12 0.00 -1.26 -0.76 120.51 134.63 1xqq n ALA 46 Ca -0.15 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.35 1xqq n ALA 46 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.27 3.59 0.00 0.00 -1.26 -4.97 105.19 102.28 1xqq n GLY 47 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.34 3.41 -0.10 1.61 1.02 0.07 -4.98 119.74 118.43 1xqq s LYS 48 Ca 0.03 0.84 -0.30 0.00 0.02 0.00 0.00 55.97 56.56 1xqq s LYS 48 Cb 0.09 -4.10 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 1xqq s LYS 48 CO 0.52 -1.78 1.30 -0.65 -0.92 0.00 0.00 175.35 173.82 1xqq s GLN 49 N 5.33 4.27 -0.15 1.68 -0.21 -1.26 -1.33 119.66 127.98 1xqq s GLN 49 Ca 0.61 1.76 -0.19 0.00 0.02 0.00 0.00 55.36 57.56 1xqq s GLN 49 Cb -0.14 -3.69 -0.04 0.00 1.00 0.00 0.00 33.01 30.14 1xqq s GLN 49 CO 0.30 -0.62 0.54 -0.51 -2.12 0.00 0.00 175.29 172.88 1xqq s LEU 50 N 3.00 4.22 0.24 2.90 1.43 -0.00 -5.00 118.68 125.47 1xqq s LEU 50 Ca 0.58 0.83 -0.23 0.00 -1.03 0.00 0.00 54.13 54.28 1xqq s LEU 50 Cb -0.25 -2.78 -0.09 0.00 0.03 0.00 0.00 46.19 43.10 1xqq s LEU 50 CO 0.20 -0.11 0.81 -1.61 0.23 0.00 0.00 176.35 175.86 1xqq s GLU 51 N 1.14 4.42 0.17 1.70 2.02 -1.26 -4.71 118.70 122.19 1xqq s GLU 51 Ca 0.27 1.07 -0.11 0.00 0.02 0.00 0.00 54.97 56.23 1xqq s GLU 51 Cb -0.16 -2.93 0.06 0.00 0.10 0.00 0.00 34.13 31.20 1xqq s GLU 51 CO 0.11 0.39 1.65 -0.44 0.02 0.00 0.00 175.26 177.00 1xqq h ASP 52 N 3.52 0.93 -0.40 -0.19 3.32 -1.97 -2.71 116.42 118.92 1xqq h ASP 52 Ca -0.47 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.26 1xqq h ASP 52 Cb 1.19 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 1xqq h ASP 52 CO 0.65 0.96 0.06 0.61 -1.72 0.00 0.00 179.24 179.80 1xqq n GLY 53 N -0.53 2.60 3.85 2.75 0.00 -1.26 -0.85 105.19 111.75 1xqq n GLY 53 Ca 0.03 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.11 2.72 0.55 1.61 0.52 -1.02 -4.98 118.95 116.25 1xqq s ARG 54 Ca 0.35 -1.31 0.08 0.00 -0.52 0.00 0.00 55.73 54.33 1xqq s ARG 54 Cb 0.27 -2.47 0.06 0.00 0.52 0.00 0.00 34.95 33.33 1xqq s ARG 54 CO 0.10 0.08 0.61 0.95 0.02 0.00 0.00 175.30 177.05 1xqq s THR 55 N -2.31 1.96 0.06 0.02 -4.23 -1.26 -1.49 115.64 108.39 1xqq s THR 55 Ca 0.41 -1.22 -0.09 0.00 -1.18 0.00 0.00 61.69 59.61 1xqq s THR 55 Cb -0.06 -2.19 -0.31 0.00 1.34 0.00 0.00 72.50 71.29 1xqq s THR 55 CO 0.27 0.00 1.08 -0.07 -0.54 0.00 0.00 174.62 175.36 1xqq h LEU 56 N 0.46 0.59 -1.11 4.79 3.38 -1.40 -2.51 115.31 119.50 1xqq h LEU 56 Ca -0.33 -0.63 0.19 0.00 0.09 0.00 0.00 57.88 57.19 1xqq h LEU 56 Cb 1.29 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 1xqq h LEU 56 CO 0.48 1.49 0.61 0.28 0.09 0.00 0.00 178.44 181.40 1xqq h SER 57 N 0.10 0.73 0.22 -0.43 0.02 -1.39 -0.33 113.55 112.47 1xqq h SER 57 Ca -0.18 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1xqq h SER 57 Cb 2.05 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.54 1xqq h SER 57 CO 0.23 0.28 -0.10 0.44 -1.14 0.00 0.00 176.83 176.54 1xqq h ASP 58 N 0.72 -0.25 0.00 3.07 3.32 -1.84 -3.10 116.42 118.34 1xqq h ASP 58 Ca 0.55 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1xqq h ASP 58 Cb 0.91 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1xqq h ASP 58 CO -0.32 0.24 0.00 -1.22 -1.72 0.00 0.00 179.24 176.22 1xqq n TYR 59 N -5.00 0.00 -3.99 4.55 4.01 -0.95 -4.92 117.16 110.86 1xqq n TYR 59 Ca -0.08 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.38 1xqq n TYR 59 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.00 -1.63 -4.64 7.72 3.02 -0.27 -4.95 115.26 113.50 1xqq n ASN 60 Ca 0.21 -0.97 -0.42 0.00 -0.03 0.00 0.00 54.58 53.37 1xqq n ASN 60 Cb 0.09 -3.17 -0.04 0.00 -0.61 0.00 0.00 39.78 36.06 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 -3.70 4.83 0.46 2.41 1.01 -0.37 -5.03 121.20 120.81 1xqq s ILE 61 Ca 0.26 1.58 0.07 0.00 0.00 0.00 0.00 60.65 62.56 1xqq s ILE 61 Cb -0.14 -4.12 -0.00 0.00 0.01 0.00 0.00 42.46 38.21 1xqq s ILE 61 CO 0.88 -0.07 0.40 0.00 0.00 0.00 0.00 174.94 176.15 1xqq s GLN 62 N 2.84 2.42 0.43 2.79 -2.07 -1.26 -4.66 119.66 120.14 1xqq s GLN 62 Ca 0.35 -1.69 -0.26 0.00 -1.82 0.00 0.00 55.36 51.93 1xqq s GLN 62 Cb -0.15 -2.29 -0.09 0.00 -1.09 0.00 0.00 33.01 29.38 1xqq s GLN 62 CO 0.07 -0.35 1.46 -1.59 -1.32 0.00 0.00 175.29 173.57 1xqq s LYS 63 N -4.19 3.83 -0.96 9.60 -2.85 -1.26 -2.91 119.74 121.00 1xqq s LYS 63 Ca 0.45 2.50 0.00 0.00 -1.00 0.00 0.00 55.97 57.92 1xqq s LYS 63 Cb -0.03 -2.77 0.00 0.00 -2.06 0.00 0.00 37.83 32.98 1xqq s LYS 63 CO 0.26 -0.74 0.00 0.39 0.10 0.00 0.00 175.35 175.37 1xqq n GLU 64 N 0.03 -0.64 -3.05 1.78 1.02 0.15 -4.99 120.64 114.93 1xqq n GLU 64 Ca 0.04 0.80 -0.40 0.00 -0.02 0.00 0.00 57.16 57.57 1xqq n GLU 64 Cb 0.41 -4.69 -0.05 0.00 -0.02 0.00 0.00 31.44 27.08 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 -2.88 6.80 -0.64 1.62 0.01 -1.15 -4.90 113.70 112.56 1xqq s SER 65 Ca 0.00 0.97 -0.27 0.00 1.31 0.00 0.00 55.95 57.97 1xqq s SER 65 Cb 0.00 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1xqq s SER 65 CO 0.00 -0.27 1.59 -0.89 0.41 0.00 0.00 173.24 174.08 1xqq s THR 66 N 1.76 3.55 0.19 1.44 2.01 -1.26 -3.21 115.64 120.12 1xqq s THR 66 Ca 0.32 0.35 -0.23 0.00 0.31 0.00 0.00 61.69 62.44 1xqq s THR 66 Cb -0.16 -4.35 -0.08 0.00 0.01 0.00 0.00 72.50 67.92 1xqq s THR 66 CO 0.12 -1.27 0.75 -0.76 -0.69 0.00 0.00 174.62 172.77 1xqq s LEU 67 N 7.43 4.48 -0.18 4.42 1.43 0.14 -4.66 118.68 131.75 1xqq s LEU 67 Ca 0.54 1.55 -0.05 0.00 -1.03 0.00 0.00 54.13 55.14 1xqq s LEU 67 Cb -0.11 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 1xqq s LEU 67 CO 0.20 0.13 0.01 -2.28 0.23 0.00 0.00 176.35 174.63 1xqq s HIS 68 N -1.31 3.10 -0.19 0.29 5.65 0.09 -0.15 115.29 122.76 1xqq s HIS 68 Ca 0.39 -0.23 -0.13 0.00 0.25 0.00 0.00 55.06 55.35 1xqq s HIS 68 Cb -0.20 -2.04 -0.05 0.00 -1.18 0.00 0.00 32.58 29.11 1xqq s HIS 68 CO 0.24 -0.04 0.24 -1.17 -0.65 0.00 0.00 174.74 173.36 1xqq s LEU 69 N 0.58 4.20 -0.04 8.88 2.96 0.22 -1.03 118.68 134.44 1xqq s LEU 69 Ca -0.00 0.36 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 1xqq s LEU 69 Cb -0.14 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 1xqq s LEU 69 CO 0.02 0.09 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.25 1xqq s VAL 70 N 0.67 1.63 -0.33 1.68 1.01 0.13 -3.07 120.40 122.12 1xqq s VAL 70 Ca 0.13 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1xqq s VAL 70 Cb -0.13 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 1xqq s VAL 70 CO 0.03 0.46 0.20 -0.76 0.00 0.00 0.00 175.10 175.04 1xqq s LEU 71 N -0.15 4.38 0.00 3.92 1.43 -1.26 -0.69 118.68 126.31 1xqq s LEU 71 Ca -0.01 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.52 1xqq s LEU 71 Cb -0.11 -2.08 0.13 0.00 0.03 0.00 0.00 46.19 44.17 1xqq s LEU 71 CO 0.02 -0.23 0.84 -2.11 0.23 0.00 0.00 176.35 175.09 1xqq n ARG 72 N 5.05 -0.45 -4.13 1.70 1.85 -0.01 -4.98 116.66 115.69 1xqq n ARG 72 Ca -0.13 -1.69 -0.22 0.00 -1.00 0.00 0.00 57.85 54.81 1xqq n ARG 72 Cb 0.49 -0.74 -0.05 0.00 -1.05 0.00 0.00 32.46 31.11 1xqq n ARG 72 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1xqq s LEU 73 N 0.00 3.68 -0.87 2.89 1.43 -1.26 -4.85 118.68 119.70 1xqq s LEU 73 Ca 0.51 -0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 53.01 1xqq s LEU 73 Cb -0.02 -2.21 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 1xqq s LEU 73 CO 0.35 -0.06 2.06 -0.60 0.23 0.00 0.00 176.35 178.33 1xqq s ARG 74 N -3.82 2.33 0.00 1.70 3.00 -1.26 -4.64 118.95 116.25 1xqq s ARG 74 Ca 0.33 -0.09 0.00 0.00 -1.00 0.00 0.00 55.73 54.97 1xqq s ARG 74 Cb -0.07 -4.99 0.00 0.00 0.00 0.00 0.00 34.95 29.89 1xqq s ARG 74 CO 0.24 -3.63 0.00 0.41 0.00 0.00 0.00 175.30 172.32 1xqq n GLY 75 N 6.84 1.01 1.50 8.12 0.00 -1.26 -5.21 105.19 116.18 1xqq n GLY 75 Ca 0.42 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93