#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 4.31 0.15 3.17 -0.21 -1.26 -1.50 119.66 124.32 1xqq s GLN 2 Ca 0.00 0.69 0.05 0.00 0.02 0.00 0.00 55.36 56.12 1xqq s GLN 2 Cb 0.00 -3.51 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 1xqq s GLN 2 CO 0.00 -0.07 -0.11 0.96 -2.12 0.00 0.00 175.29 173.95 1xqq s ILE 3 N 1.31 1.24 -0.14 1.08 -4.36 -0.65 0.18 121.20 119.85 1xqq s ILE 3 Ca 0.31 -2.03 -0.04 0.00 -0.26 0.00 0.00 60.65 58.63 1xqq s ILE 3 Cb -0.16 -1.82 -0.03 0.00 1.25 0.00 0.00 42.46 41.70 1xqq s ILE 3 CO 0.13 -0.69 0.00 -0.36 0.24 0.00 0.00 174.94 174.26 1xqq s PHE 4 N -3.14 3.13 -0.36 1.37 0.08 0.38 -0.67 117.98 118.77 1xqq s PHE 4 Ca 0.16 -0.05 -0.13 0.00 0.12 0.00 0.00 56.93 57.04 1xqq s PHE 4 Cb 0.01 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 1xqq s PHE 4 CO 0.01 0.17 0.24 0.08 -0.10 0.00 0.00 175.22 175.63 1xqq s VAL 5 N -0.01 5.09 -0.19 -0.44 1.01 0.23 -1.30 120.40 124.80 1xqq s VAL 5 Ca 0.03 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 1xqq s VAL 5 Cb -0.13 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1xqq s VAL 5 CO 0.02 -0.13 0.33 -0.75 0.00 0.00 0.00 175.10 174.57 1xqq s LYS 6 N 1.67 4.20 0.78 2.72 2.20 0.25 -0.18 119.74 131.38 1xqq s LYS 6 Ca 0.05 0.10 -0.13 0.00 -0.36 0.00 0.00 55.97 55.63 1xqq s LYS 6 Cb -0.18 -3.49 0.19 0.00 -1.51 0.00 0.00 37.83 32.83 1xqq s LYS 6 CO 0.09 0.08 0.93 0.25 -0.36 0.00 0.00 175.35 176.35 1xqq n THR 7 N 4.03 0.00 0.20 3.43 -2.24 -0.74 -0.53 114.28 118.43 1xqq n THR 7 Ca -0.10 -0.61 0.09 0.00 -2.27 0.00 0.00 64.05 61.15 1xqq n THR 7 Cb 0.51 -1.49 0.14 0.00 -2.10 0.00 0.00 70.33 67.39 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 0.00 -0.01 3.22 5.85 -1.86 -3.20 115.31 119.32 1xqq h LEU 8 Ca -0.31 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 1xqq h LEU 8 Cb 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1xqq h LEU 8 CO 0.22 0.17 -0.17 0.71 -0.34 0.00 0.00 178.44 179.02 1xqq h THR 9 N 0.00 1.55 0.00 1.05 1.35 -1.94 -3.48 112.91 111.45 1xqq h THR 9 Ca -0.00 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 1xqq h THR 9 Cb 1.11 2.74 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 1xqq h THR 9 CO 0.02 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1xqq n GLY 10 N 0.98 0.89 3.65 5.82 0.00 -1.21 -5.11 105.19 110.21 1xqq n GLY 10 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 4.13 -0.43 1.61 2.20 -1.26 -4.80 119.74 121.18 1xqq s LYS 11 Ca 0.00 1.28 -0.23 0.00 -0.36 0.00 0.00 55.97 56.66 1xqq s LYS 11 Cb 0.00 -3.73 0.02 0.00 -1.51 0.00 0.00 37.83 32.61 1xqq s LYS 11 CO 0.00 -0.82 0.78 0.99 -0.36 0.00 0.00 175.35 175.94 1xqq s THR 12 N 3.60 4.67 -0.45 3.43 2.01 -1.26 -1.79 115.64 125.85 1xqq s THR 12 Ca 0.48 0.52 -0.16 0.00 0.31 0.00 0.00 61.69 62.85 1xqq s THR 12 Cb -0.15 -4.30 0.05 0.00 0.01 0.00 0.00 72.50 68.11 1xqq s THR 12 CO 0.14 -0.66 0.37 -0.63 -0.69 0.00 0.00 174.62 173.15 1xqq s ILE 13 N 3.25 5.22 0.03 1.82 1.01 0.74 -4.93 121.20 128.35 1xqq s ILE 13 Ca 0.30 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1xqq s ILE 13 Cb -0.12 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.23 1xqq s ILE 13 CO 0.21 -0.48 1.32 -0.89 0.00 0.00 0.00 174.94 175.10 1xqq s THR 14 N 1.72 3.80 0.12 2.92 2.01 -1.26 0.78 115.64 125.73 1xqq s THR 14 Ca 0.05 1.23 0.07 0.00 0.31 0.00 0.00 61.69 63.35 1xqq s THR 14 Cb -0.22 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1xqq s THR 14 CO 0.08 0.04 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.24 1xqq s LEU 15 N 1.79 3.19 -0.47 4.42 1.43 0.16 -4.92 118.68 124.28 1xqq s LEU 15 Ca 0.61 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 53.29 1xqq s LEU 15 Cb -0.31 -1.93 0.12 0.00 0.03 0.00 0.00 46.19 44.10 1xqq s LEU 15 CO 0.27 0.15 0.32 -1.61 0.23 0.00 0.00 176.35 175.71 1xqq s GLU 16 N -2.44 2.37 0.19 1.70 2.02 -1.26 -1.64 118.70 119.64 1xqq s GLU 16 Ca 0.24 -1.86 0.01 0.00 0.02 0.00 0.00 54.97 53.39 1xqq s GLU 16 Cb -0.11 -3.82 -0.05 0.00 0.10 0.00 0.00 34.13 30.25 1xqq s GLU 16 CO 0.16 -1.16 0.03 0.14 0.02 0.00 0.00 175.26 174.45 1xqq s VAL 17 N 1.16 0.59 0.30 2.63 -7.23 -0.56 -4.83 120.40 112.46 1xqq s VAL 17 Ca 0.08 -1.98 0.11 0.00 -1.81 0.00 0.00 61.98 58.37 1xqq s VAL 17 Cb -0.24 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.37 1xqq s VAL 17 CO -0.02 -0.33 -0.16 -1.61 -0.31 0.00 0.00 175.10 172.67 1xqq s GLU 18 N -3.96 1.73 0.00 4.82 2.02 -1.26 0.41 118.70 122.46 1xqq s GLU 18 Ca 0.28 -1.83 0.27 0.00 0.02 0.00 0.00 54.97 53.71 1xqq s GLU 18 Cb 0.07 -1.75 0.91 0.00 0.10 0.00 0.00 34.13 33.46 1xqq s GLU 18 CO 0.07 0.26 1.68 -0.35 0.02 0.00 0.00 175.26 176.94 1xqq n PRO 19 N -0.69 0.20 0.00 0.39 -0.04 -1.26 -1.04 135.00 132.57 1xqq n PRO 19 Ca -0.05 -0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.44 1xqq n PRO 19 Cb 0.61 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 33.09 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 -1.33 0.00 -4.77 3.54 7.64 -1.26 -1.00 113.62 116.44 1xqq n SER 20 Ca 0.08 0.45 -0.39 0.00 1.01 0.00 0.00 58.87 60.03 1xqq n SER 20 Cb 0.32 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 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 -2.96 7.44 0.52 6.43 1.01 -0.21 -4.83 116.67 124.07 1xqq s ASP 21 Ca 0.12 1.77 -0.04 0.00 0.71 0.00 0.00 52.55 55.11 1xqq s ASP 21 Cb 0.15 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.53 1xqq s ASP 21 CO 0.42 0.12 0.81 0.42 0.21 0.00 0.00 175.17 177.15 1xqq s THR 22 N -1.29 4.14 -0.42 -1.27 -4.23 -1.26 -2.02 115.64 109.28 1xqq s THR 22 Ca 0.41 -0.05 0.26 0.00 -1.18 0.00 0.00 61.69 61.14 1xqq s THR 22 Cb -0.23 -3.59 0.32 0.00 1.34 0.00 0.00 72.50 70.34 1xqq s THR 22 CO 0.27 -0.56 1.75 0.40 -0.54 0.00 0.00 174.62 175.94 1xqq h ILE 23 N 0.08 0.00 -0.01 2.99 1.08 -0.77 0.73 117.51 121.61 1xqq h ILE 23 Ca -0.46 -0.62 -0.05 0.00 -0.39 0.00 0.00 64.86 63.34 1xqq h ILE 23 Cb 1.24 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 36.56 1xqq h ILE 23 CO 0.60 0.00 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.78 1xqq h GLU 24 N 0.00 0.02 0.01 2.37 4.81 -1.37 -2.39 114.58 118.03 1xqq h GLU 24 Ca 0.00 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 58.99 1xqq h GLU 24 Cb 0.72 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1xqq h GLU 24 CO 0.00 0.23 -0.97 -0.97 -0.73 0.00 0.00 179.01 176.57 1xqq h ASN 25 N 0.02 0.56 -0.11 1.04 -1.24 -1.16 -1.65 115.58 113.04 1xqq h ASN 25 Ca 0.00 -0.46 -0.00 0.00 0.71 0.00 0.00 56.30 56.55 1xqq h ASN 25 Cb 0.38 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 1xqq h ASN 25 CO 0.03 1.26 0.05 0.58 -1.29 0.00 0.00 177.43 178.06 1xqq h VAL 26 N 0.23 1.12 -0.56 2.57 2.07 -1.41 -2.43 116.25 117.85 1xqq h VAL 26 Ca -0.09 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1xqq h VAL 26 Cb 1.61 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 1xqq h VAL 26 CO 0.17 0.11 0.31 0.11 0.02 0.00 0.00 177.57 178.28 1xqq h LYS 27 N 0.05 0.76 -0.94 1.57 1.57 -1.46 -3.17 116.57 114.94 1xqq h LYS 27 Ca 0.04 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1xqq h LYS 27 Cb 0.12 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 1xqq h LYS 27 CO -0.00 0.56 0.62 0.00 -0.57 0.00 0.00 179.45 180.05 1xqq h ALA 28 N 1.57 1.40 -0.77 3.86 0.00 -0.92 -1.72 119.26 122.68 1xqq h ALA 28 Ca 0.20 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1xqq h ALA 28 Cb 0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.41 1xqq h ALA 28 CO -0.03 0.51 0.46 0.87 0.00 0.00 0.00 179.25 181.05 1xqq h LYS 29 N 1.18 0.83 0.00 0.00 1.79 -1.42 -0.24 116.57 118.71 1xqq h LYS 29 Ca 0.38 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.72 1xqq h LYS 29 Cb 0.02 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 1xqq h LYS 29 CO -0.12 0.55 -0.35 0.82 -1.08 0.00 0.00 179.45 179.27 1xqq h ILE 30 N 0.86 1.23 0.19 1.86 2.04 -1.41 0.12 117.51 122.40 1xqq h ILE 30 Ca 0.33 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1xqq h ILE 30 Cb 0.15 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1xqq h ILE 30 CO -0.16 0.34 -0.09 -0.61 0.00 0.00 0.00 178.15 177.63 1xqq h GLN 31 N 0.00 -0.25 -0.87 2.37 4.15 -0.96 -0.25 115.11 119.31 1xqq h GLN 31 Ca -0.00 0.02 0.16 0.00 0.77 0.00 0.00 58.65 59.59 1xqq h GLN 31 Cb 0.63 0.06 -0.10 0.00 0.21 0.00 0.00 27.48 28.28 1xqq h GLN 31 CO 0.05 0.07 0.45 0.22 -1.93 0.00 0.00 178.83 177.68 1xqq h ASP 32 N -0.57 0.54 0.00 -0.69 3.58 -0.30 -2.33 116.42 116.65 1xqq h ASP 32 Ca -0.03 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1xqq h ASP 32 Cb 0.42 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1xqq h ASP 32 CO 0.04 0.21 0.00 0.29 -2.88 0.00 0.00 179.24 176.90 1xqq n LYS 33 N -4.87 0.00 0.07 0.28 5.02 0.36 -4.74 118.16 114.28 1xqq n LYS 33 Ca 0.18 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.40 1xqq n LYS 33 Cb 0.46 -0.19 0.08 0.00 -0.02 0.00 0.00 35.03 35.37 1xqq n LYS 33 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1xqq h GLU 34 N 0.00 0.31 -0.23 1.97 4.39 -1.23 -3.48 114.58 116.31 1xqq h GLU 34 Ca 0.00 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1xqq h GLU 34 Cb 0.00 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1xqq h GLU 34 CO 0.00 0.85 0.00 0.41 -1.16 0.00 0.00 179.01 179.11 1xqq n GLY 35 N 0.38 1.02 3.50 -3.84 0.00 -0.72 -5.00 105.19 100.53 1xqq n GLY 35 Ca -0.03 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.23 5.27 0.64 -0.61 -1.09 -1.25 -4.96 121.20 116.97 1xqq s ILE 36 Ca 0.00 -0.38 -0.17 0.00 -2.23 0.00 0.00 60.65 57.87 1xqq s ILE 36 Cb 0.00 -3.79 -0.01 0.00 -1.58 0.00 0.00 42.46 37.08 1xqq s ILE 36 CO 0.00 -0.12 1.20 -2.84 -1.23 0.00 0.00 174.94 171.95 1xqq s PRO 37 N 1.71 2.73 0.00 2.79 0.02 -1.26 -4.06 135.00 136.93 1xqq s PRO 37 Ca 0.06 1.77 0.26 0.00 0.02 0.00 0.00 61.00 63.11 1xqq s PRO 37 Cb -0.18 -1.90 1.14 0.00 0.02 0.00 0.00 34.50 33.57 1xqq s PRO 37 CO 0.10 -1.38 1.85 -0.35 -0.33 0.00 0.00 177.00 176.89 1xqq n PRO 38 N -1.97 0.01 0.14 5.54 -0.04 -1.26 -2.34 135.00 135.08 1xqq n PRO 38 Ca 0.13 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1xqq n PRO 38 Cb 0.50 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.00 1.51 3.54 5.19 -1.90 -3.03 116.42 121.73 1xqq h ASP 39 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1xqq h ASP 39 Cb 0.45 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.96 1xqq h ASP 39 CO 0.00 0.60 -0.49 1.56 -3.12 0.00 0.00 179.24 177.79 1xqq h GLN 40 N 0.00 0.00 -6.27 3.56 4.20 -1.60 -3.39 115.11 111.61 1xqq h GLN 40 Ca -0.01 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.14 1xqq h GLN 40 Cb 1.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 1xqq h GLN 40 CO 0.08 0.03 -0.23 -0.65 -0.67 0.00 0.00 178.83 177.39 1xqq s GLN 41 N -3.26 3.71 -0.05 1.46 -0.21 -1.15 -1.30 119.66 118.85 1xqq s GLN 41 Ca 0.03 0.08 -0.02 0.00 0.02 0.00 0.00 55.36 55.48 1xqq s GLN 41 Cb 0.07 -2.78 0.04 0.00 1.00 0.00 0.00 33.01 31.33 1xqq s GLN 41 CO 0.73 0.42 0.09 1.03 -2.12 0.00 0.00 175.29 175.44 1xqq s ARG 42 N -2.65 0.00 -0.23 2.91 0.52 -0.14 -4.96 118.95 114.41 1xqq s ARG 42 Ca 0.43 0.35 -0.06 0.00 -0.52 0.00 0.00 55.73 55.92 1xqq s ARG 42 Cb -0.12 -0.28 -0.02 0.00 0.52 0.00 0.00 34.95 35.04 1xqq s ARG 42 CO 0.23 -0.22 0.03 -0.51 0.02 0.00 0.00 175.30 174.84 1xqq s LEU 43 N 1.53 3.29 -0.09 2.53 1.43 -1.26 -0.64 118.68 125.47 1xqq s LEU 43 Ca -0.04 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1xqq s LEU 43 Cb -0.12 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1xqq s LEU 43 CO -0.04 -0.01 -0.13 -0.63 0.23 0.00 0.00 176.35 175.77 1xqq s ILE 44 N 1.45 3.11 -0.35 -0.59 1.01 0.13 -1.35 121.20 124.60 1xqq s ILE 44 Ca 0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1xqq s ILE 44 Cb -0.15 -2.26 0.09 0.00 0.01 0.00 0.00 42.46 40.15 1xqq s ILE 44 CO 0.02 0.56 0.09 0.12 0.00 0.00 0.00 174.94 175.73 1xqq s PHE 45 N -0.22 3.52 0.00 3.97 5.36 0.05 -1.11 117.98 129.55 1xqq s PHE 45 Ca 0.01 -2.40 0.00 0.00 -0.96 0.00 0.00 56.93 53.58 1xqq s PHE 45 Cb -0.13 -2.76 0.00 0.00 -0.34 0.00 0.00 43.02 39.79 1xqq s PHE 45 CO 0.03 -0.91 0.00 0.00 -1.46 0.00 0.00 175.22 172.88 1xqq n ALA 46 N 4.51 0.00 -1.36 11.12 0.00 -1.26 -2.45 120.51 131.06 1xqq n ALA 46 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1xqq n ALA 46 Cb 0.42 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.08 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 4.79 3.21 0.00 0.00 -1.26 -5.04 105.19 106.89 1xqq n GLY 47 Ca 0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 1xqq n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 48 N -3.15 0.83 0.10 1.61 -2.85 -1.03 -5.16 119.74 110.11 1xqq s LYS 48 Ca 0.42 -0.87 -0.24 0.00 -1.00 0.00 0.00 55.97 54.28 1xqq s LYS 48 Cb 0.38 0.34 -0.07 0.00 -2.06 0.00 0.00 37.83 36.43 1xqq s LYS 48 CO 0.01 -0.27 0.73 1.14 0.10 0.00 0.00 175.35 177.06 1xqq s GLN 49 N -3.60 4.48 -0.01 1.78 -2.07 -1.26 -0.77 119.66 118.20 1xqq s GLN 49 Ca 0.03 1.04 -0.26 0.00 -1.82 0.00 0.00 55.36 54.35 1xqq s GLN 49 Cb 0.04 -3.30 -0.04 0.00 -1.09 0.00 0.00 33.01 28.62 1xqq s GLN 49 CO -0.10 0.47 0.82 -0.51 -1.32 0.00 0.00 175.29 174.65 1xqq s LEU 50 N -0.71 4.37 -0.09 2.60 1.43 -0.46 -4.90 118.68 120.93 1xqq s LEU 50 Ca 0.35 1.43 -0.15 0.00 -1.03 0.00 0.00 54.13 54.73 1xqq s LEU 50 Cb -0.21 -3.30 -0.05 0.00 0.03 0.00 0.00 46.19 42.66 1xqq s LEU 50 CO 0.24 -0.14 0.38 -1.61 0.23 0.00 0.00 176.35 175.45 1xqq s GLU 51 N 0.68 4.12 0.23 1.70 2.02 -1.26 -4.68 118.70 121.51 1xqq s GLU 51 Ca 0.43 0.31 -0.07 0.00 0.02 0.00 0.00 54.97 55.66 1xqq s GLU 51 Cb -0.20 -3.34 0.39 0.00 0.10 0.00 0.00 34.13 31.09 1xqq s GLU 51 CO 0.23 0.41 1.68 -0.44 0.02 0.00 0.00 175.26 177.16 1xqq h ASP 52 N 5.87 -0.06 0.83 -0.19 5.19 -1.97 -2.18 116.42 123.90 1xqq h ASP 52 Ca -0.46 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1xqq h ASP 52 Cb 1.19 0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.91 1xqq h ASP 52 CO 0.69 -0.05 0.00 0.61 -3.12 0.00 0.00 179.24 177.38 1xqq n GLY 53 N -1.35 -1.38 3.94 2.75 0.00 -1.26 -1.09 105.19 106.81 1xqq n GLY 53 Ca 0.12 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.88 2.85 0.64 1.61 1.81 -0.82 -4.92 118.95 117.24 1xqq s ARG 54 Ca 0.17 -1.23 -0.02 0.00 -1.72 0.00 0.00 55.73 52.93 1xqq s ARG 54 Cb 0.18 -2.65 0.06 0.00 -0.45 0.00 0.00 34.95 32.09 1xqq s ARG 54 CO 0.48 -0.06 0.91 0.95 -0.68 0.00 0.00 175.30 176.90 1xqq s THR 55 N -2.30 2.44 0.25 0.02 -4.23 -1.26 -1.10 115.64 109.46 1xqq s THR 55 Ca 0.47 -0.48 0.08 0.00 -1.18 0.00 0.00 61.69 60.58 1xqq s THR 55 Cb -0.08 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 1xqq s THR 55 CO 0.30 0.00 1.58 -0.07 -0.54 0.00 0.00 174.62 175.89 1xqq h LEU 56 N -0.30 0.09 -1.35 4.79 3.38 -1.45 -3.30 115.31 117.17 1xqq h LEU 56 Ca -0.42 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 1xqq h LEU 56 Cb 1.30 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1xqq h LEU 56 CO 0.54 0.70 -0.26 0.77 0.09 0.00 0.00 178.44 180.28 1xqq h SER 57 N 0.06 0.09 -0.48 -0.43 4.64 -1.32 0.13 113.55 116.24 1xqq h SER 57 Ca -0.01 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1xqq h SER 57 Cb 1.13 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1xqq h SER 57 CO 0.09 0.36 0.25 -0.78 -0.87 0.00 0.00 176.83 175.88 1xqq h ASP 58 N 0.09 0.61 1.14 4.97 3.58 -1.85 -2.35 116.42 122.61 1xqq h ASP 58 Ca 0.01 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1xqq h ASP 58 Cb 0.51 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1xqq h ASP 58 CO 0.04 0.54 0.00 -1.22 -2.88 0.00 0.00 179.24 175.72 1xqq n TYR 59 N -4.65 0.50 -2.44 0.28 4.01 -1.12 -4.92 117.16 108.82 1xqq n TYR 59 Ca 0.02 0.16 -0.15 0.00 -0.16 0.00 0.00 57.90 57.76 1xqq n TYR 59 Cb 0.09 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.37 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 -1.92 -4.64 -4.69 7.72 4.13 -0.88 -4.98 115.26 109.99 1xqq n ASN 60 Ca 0.06 -0.07 -0.42 0.00 1.68 0.00 0.00 54.58 55.82 1xqq n ASN 60 Cb 0.35 -3.70 -0.03 0.00 -1.54 0.00 0.00 39.78 34.87 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xqq s ILE 61 N -2.82 4.75 0.23 2.41 1.01 0.43 -4.96 121.20 122.25 1xqq s ILE 61 Ca 0.06 2.02 0.03 0.00 0.00 0.00 0.00 60.65 62.76 1xqq s ILE 61 Cb -0.03 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.18 1xqq s ILE 61 CO 0.08 0.02 0.25 0.00 0.00 0.00 0.00 174.94 175.29 1xqq n GLN 62 N 4.90 1.00 -2.14 2.79 6.02 -1.26 -4.58 117.38 124.11 1xqq n GLN 62 Ca 0.09 -1.33 -0.41 0.00 -0.01 0.00 0.00 57.00 55.33 1xqq n GLN 62 Cb 0.49 0.02 -0.02 0.00 1.02 0.00 0.00 30.24 31.74 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 -3.00 4.36 -1.28 -1.09 -2.85 -1.26 -3.00 119.74 111.63 1xqq s LYS 63 Ca 0.19 2.17 -0.05 0.00 -1.00 0.00 0.00 55.97 57.27 1xqq s LYS 63 Cb -0.02 -3.12 0.03 0.00 -2.06 0.00 0.00 37.83 32.67 1xqq s LYS 63 CO 0.12 -0.23 0.35 0.39 0.10 0.00 0.00 175.35 176.08 1xqq n GLU 64 N 1.63 -3.28 -2.47 1.78 1.02 0.13 -4.97 120.64 114.49 1xqq n GLU 64 Ca 0.03 0.61 -0.33 0.00 -0.02 0.00 0.00 57.16 57.45 1xqq n GLU 64 Cb 0.42 -5.32 -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 0.45 1.18 0.00 0.00 177.13 178.76 1xqq s SER 65 N -2.48 6.35 -0.31 1.62 0.15 -1.16 -4.78 113.70 113.09 1xqq s SER 65 Ca 0.24 1.82 -0.06 0.00 0.70 0.00 0.00 55.95 58.66 1xqq s SER 65 Cb -0.12 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.67 1xqq s SER 65 CO 0.30 -0.77 0.07 -0.89 1.20 0.00 0.00 173.24 173.14 1xqq s THR 66 N -2.19 3.68 0.27 6.45 2.01 -1.26 -0.47 115.64 124.14 1xqq s THR 66 Ca 0.65 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.71 1xqq s THR 66 Cb -0.14 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1xqq s THR 66 CO 0.24 -0.02 0.43 -0.76 -0.69 0.00 0.00 174.62 173.81 1xqq s LEU 67 N 1.42 4.20 -0.12 4.42 1.43 -0.42 -4.84 118.68 124.78 1xqq s LEU 67 Ca -0.00 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1xqq s LEU 67 Cb -0.18 -3.06 0.02 0.00 0.03 0.00 0.00 46.19 42.99 1xqq s LEU 67 CO 0.01 -0.14 -0.15 -1.00 0.23 0.00 0.00 176.35 175.30 1xqq s HIS 68 N -2.07 2.06 -0.18 0.29 3.76 -0.27 -0.58 115.29 118.31 1xqq s HIS 68 Ca 0.37 -1.03 -0.02 0.00 -0.15 0.00 0.00 55.06 54.22 1xqq s HIS 68 Cb -0.10 -1.49 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 1xqq s HIS 68 CO 0.31 -0.54 -0.08 -1.17 -0.85 0.00 0.00 174.74 172.42 1xqq s LEU 69 N 1.14 2.88 0.10 0.89 2.96 0.31 0.22 118.68 127.18 1xqq s LEU 69 Ca -0.03 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.62 1xqq s LEU 69 Cb -0.14 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1xqq s LEU 69 CO -0.04 0.08 -0.18 0.68 -1.32 0.00 0.00 176.35 175.56 1xqq s VAL 70 N 0.89 1.52 0.38 1.68 -7.23 0.18 -2.65 120.40 115.17 1xqq s VAL 70 Ca -0.02 -1.53 0.08 0.00 -1.81 0.00 0.00 61.98 58.70 1xqq s VAL 70 Cb -0.15 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 1xqq s VAL 70 CO 0.01 -0.16 0.23 -0.76 -0.31 0.00 0.00 175.10 174.10 1xqq s LEU 71 N -1.98 3.28 0.44 1.32 1.43 -1.26 -0.96 118.68 120.95 1xqq s LEU 71 Ca 0.05 -0.84 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 1xqq s LEU 71 Cb -0.09 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1xqq s LEU 71 CO 0.04 -0.47 0.08 -0.13 0.23 0.00 0.00 176.35 176.10 1xqq s ARG 72 N -3.95 2.02 -0.02 1.70 0.52 -0.42 -4.92 118.95 113.88 1xqq s ARG 72 Ca 0.42 -2.25 -0.13 0.00 -0.52 0.00 0.00 55.73 53.24 1xqq s ARG 72 Cb -0.01 -0.95 -0.07 0.00 0.52 0.00 0.00 34.95 34.44 1xqq s ARG 72 CO 0.24 -0.43 0.69 1.25 0.02 0.00 0.00 175.30 177.08 1xqq h LEU 73 N 1.64 -0.40 0.00 2.53 5.85 -1.96 -3.47 115.31 119.50 1xqq h LEU 73 Ca -0.38 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1xqq h LEU 73 Cb 1.29 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1xqq h LEU 73 CO 0.63 -0.11 -0.30 0.54 -0.34 0.00 0.00 178.44 178.87 1xqq n ARG 74 N -4.29 0.00 0.00 1.25 1.74 -1.26 -5.01 116.66 109.09 1xqq n ARG 74 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1xqq n ARG 74 Cb 0.19 -0.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xqq n GLY 75 N 2.10 0.14 0.00 -0.13 0.00 -1.26 -4.04 105.19 102.00 1xqq n GLY 75 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93