#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 3.92 0.21 3.17 -0.21 -1.26 -1.39 119.66 124.11 1xqq s GLN 2 Ca 0.00 0.73 0.11 0.00 0.02 0.00 0.00 55.36 56.22 1xqq s GLN 2 Cb 0.00 -3.78 -0.05 0.00 1.00 0.00 0.00 33.01 30.19 1xqq s GLN 2 CO 0.00 -0.91 -0.23 0.96 -2.12 0.00 0.00 175.29 172.99 1xqq s ILE 3 N 3.49 2.36 -0.16 1.08 -5.25 0.34 -0.95 121.20 122.11 1xqq s ILE 3 Ca 0.40 -2.12 -0.08 0.00 -0.99 0.00 0.00 60.65 57.86 1xqq s ILE 3 Cb -0.12 -2.16 -0.04 0.00 2.95 0.00 0.00 42.46 43.09 1xqq s ILE 3 CO 0.17 -0.20 0.12 -0.36 -1.79 0.00 0.00 174.94 172.88 1xqq s PHE 4 N -1.90 3.45 -0.23 1.37 0.08 0.84 -1.00 117.98 120.59 1xqq s PHE 4 Ca 0.23 0.37 -0.03 0.00 0.12 0.00 0.00 56.93 57.62 1xqq s PHE 4 Cb -0.07 -2.04 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1xqq s PHE 4 CO 0.11 0.46 -0.06 0.08 -0.10 0.00 0.00 175.22 175.71 1xqq s VAL 5 N -0.26 3.07 -0.31 -0.44 1.01 0.13 -0.93 120.40 122.66 1xqq s VAL 5 Ca 0.10 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1xqq s VAL 5 Cb -0.12 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1xqq s VAL 5 CO 0.01 0.32 0.28 -0.75 0.00 0.00 0.00 175.10 174.96 1xqq s LYS 6 N 1.40 3.71 -0.04 2.72 2.20 0.55 -1.00 119.74 129.27 1xqq s LYS 6 Ca 0.03 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 1xqq s LYS 6 Cb -0.15 -3.75 -0.03 0.00 -1.51 0.00 0.00 37.83 32.40 1xqq s LYS 6 CO -0.04 -0.37 1.03 0.99 -0.36 0.00 0.00 175.35 176.60 1xqq s THR 7 N 1.86 4.70 -0.06 3.43 2.01 -0.34 -1.03 115.64 126.21 1xqq s THR 7 Ca 0.09 1.95 -0.11 0.00 0.31 0.00 0.00 61.69 63.94 1xqq s THR 7 Cb -0.17 -4.25 -0.06 0.00 0.01 0.00 0.00 72.50 68.03 1xqq s THR 7 CO 0.11 0.08 0.44 -0.07 -0.69 0.00 0.00 174.62 174.48 1xqq h LEU 8 N 7.42 -0.31 -6.54 4.42 4.07 -1.85 -3.24 115.31 119.28 1xqq h LEU 8 Ca -0.36 -0.00 -0.74 0.00 0.08 0.00 0.00 57.88 56.85 1xqq h LEU 8 Cb 1.18 0.08 -0.13 0.00 1.08 0.00 0.00 40.66 42.87 1xqq h LEU 8 CO 0.81 0.15 2.15 0.41 -1.08 0.00 0.00 178.44 180.89 1xqq n THR 9 N -5.02 4.17 0.00 0.22 -1.04 -1.26 -4.79 114.28 106.56 1xqq n THR 9 Ca -0.05 -4.19 0.00 0.00 -2.04 0.00 0.00 64.05 57.78 1xqq n THR 9 Cb 0.15 -2.41 0.00 0.00 -1.82 0.00 0.00 70.33 66.25 1xqq n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xqq n GLY 10 N 3.23 -0.49 3.47 3.41 0.00 -1.23 -5.07 105.19 108.52 1xqq n GLY 10 Ca 0.42 0.26 -0.25 0.00 0.00 0.00 0.00 46.02 46.45 1xqq n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 11 N 0.00 1.94 -0.26 1.61 -2.85 -1.23 -4.92 119.74 114.02 1xqq s LYS 11 Ca 0.00 -2.18 -0.08 0.00 -1.00 0.00 0.00 55.97 52.71 1xqq s LYS 11 Cb 0.00 -0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 35.38 1xqq s LYS 11 CO 0.00 -0.56 0.09 0.99 0.10 0.00 0.00 175.35 175.97 1xqq s THR 12 N -3.23 4.41 -0.05 3.79 2.01 -1.26 -1.20 115.64 120.11 1xqq s THR 12 Ca 0.26 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 1xqq s THR 12 Cb 0.02 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1xqq s THR 12 CO 0.18 0.28 0.08 0.27 -0.69 0.00 0.00 174.62 174.74 1xqq s ILE 13 N 1.62 4.80 -0.12 1.82 -4.36 -0.17 -4.96 121.20 119.82 1xqq s ILE 13 Ca 0.06 -0.24 -0.12 0.00 -0.26 0.00 0.00 60.65 60.09 1xqq s ILE 13 Cb -0.16 -3.13 -0.05 0.00 1.25 0.00 0.00 42.46 40.38 1xqq s ILE 13 CO 0.04 0.47 0.26 -0.89 0.24 0.00 0.00 174.94 175.06 1xqq s THR 14 N -1.09 5.31 -0.01 8.37 2.01 -1.26 0.22 115.64 129.19 1xqq s THR 14 Ca 0.19 0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.75 1xqq s THR 14 Cb -0.12 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 1xqq s THR 14 CO 0.09 0.49 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.51 1xqq s LEU 15 N -0.19 2.07 -0.76 4.42 1.43 -0.17 -4.95 118.68 120.52 1xqq s LEU 15 Ca 0.17 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1xqq s LEU 15 Cb -0.13 -1.20 0.20 0.00 0.03 0.00 0.00 46.19 45.08 1xqq s LEU 15 CO 0.05 0.28 0.66 -1.61 0.23 0.00 0.00 176.35 175.96 1xqq s GLU 16 N -0.68 3.27 0.55 1.70 2.02 -1.26 -0.50 118.70 123.79 1xqq s GLU 16 Ca 0.09 -2.47 0.09 0.00 0.02 0.00 0.00 54.97 52.70 1xqq s GLU 16 Cb -0.09 -4.21 0.07 0.00 0.10 0.00 0.00 34.13 30.00 1xqq s GLU 16 CO -0.00 -1.25 0.75 0.14 0.02 0.00 0.00 175.26 174.92 1xqq s VAL 17 N 0.12 2.34 0.02 2.63 -7.23 -0.48 -4.71 120.40 113.08 1xqq s VAL 17 Ca 0.17 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 59.39 1xqq s VAL 17 Cb -0.14 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 1xqq s VAL 17 CO -0.07 0.00 -0.08 -0.70 -0.31 0.00 0.00 175.10 173.94 1xqq s GLU 18 N -4.62 0.61 0.42 4.82 2.12 -1.26 -0.39 118.70 120.40 1xqq s GLU 18 Ca 0.61 -0.49 0.29 0.00 0.36 0.00 0.00 54.97 55.74 1xqq s GLU 18 Cb -0.07 -0.53 1.39 0.00 0.26 0.00 0.00 34.13 35.18 1xqq s GLU 18 CO 0.38 0.13 1.88 -1.00 -0.54 0.00 0.00 175.26 176.12 1xqq h PRO 19 N 5.34 0.00 0.00 4.30 0.13 -1.96 0.23 132.00 140.04 1xqq h PRO 19 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1xqq h PRO 19 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1xqq h PRO 19 CO 0.46 0.00 -0.03 0.77 -0.23 0.00 0.00 178.00 178.97 1xqq h SER 20 N 0.00 0.00 -4.32 1.44 0.02 -1.97 -1.30 113.55 107.42 1xqq h SER 20 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1xqq h SER 20 Cb 0.24 0.00 0.11 0.00 0.14 0.00 0.00 62.40 62.89 1xqq h SER 20 CO 0.00 0.03 0.35 -1.81 -1.14 0.00 0.00 176.83 174.26 1xqq s ASP 21 N -5.64 5.09 0.38 3.07 1.01 0.81 -4.91 116.67 116.47 1xqq s ASP 21 Ca -0.01 1.71 -0.10 0.00 0.71 0.00 0.00 52.55 54.85 1xqq s ASP 21 Cb 0.11 -2.51 -0.07 0.00 1.01 0.00 0.00 42.92 41.46 1xqq s ASP 21 CO 0.52 -1.64 0.74 0.42 0.21 0.00 0.00 175.17 175.42 1xqq s THR 22 N -2.95 4.80 0.12 -1.27 -4.23 -1.26 -2.20 115.64 108.64 1xqq s THR 22 Ca 0.60 0.59 -0.22 0.00 -1.18 0.00 0.00 61.69 61.47 1xqq s THR 22 Cb -0.15 -3.72 -0.06 0.00 1.34 0.00 0.00 72.50 69.91 1xqq s THR 22 CO 0.54 -0.45 1.69 0.40 -0.54 0.00 0.00 174.62 176.26 1xqq h ILE 23 N 1.23 0.73 -1.25 2.99 1.08 -1.19 -2.04 117.51 119.07 1xqq h ILE 23 Ca -0.47 0.00 0.42 0.00 -0.39 0.00 0.00 64.86 64.42 1xqq h ILE 23 Cb 1.19 0.73 -0.12 0.00 -3.07 0.00 0.00 36.82 35.55 1xqq h ILE 23 CO 0.64 0.00 0.81 1.21 -0.69 0.00 0.00 178.15 180.12 1xqq n GLU 24 N -5.23 -0.03 0.08 2.37 4.07 0.89 -0.05 120.64 122.74 1xqq n GLU 24 Ca -0.04 1.08 -0.09 0.00 -0.06 0.00 0.00 57.16 58.05 1xqq n GLU 24 Cb 0.15 -2.15 0.01 0.00 -0.06 0.00 0.00 31.44 29.39 1xqq n GLU 24 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 1xqq h ASN 25 N 0.00 0.35 -0.24 4.31 -0.73 -1.68 -2.60 115.58 114.99 1xqq h ASN 25 Ca 0.77 -0.26 -0.06 0.00 1.87 0.00 0.00 56.30 58.62 1xqq h ASN 25 Cb 2.54 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 41.02 1xqq h ASN 25 CO -0.37 1.02 -0.09 0.58 -0.37 0.00 0.00 177.43 178.20 1xqq h VAL 26 N 0.17 1.29 -0.93 2.57 2.07 -0.84 -2.75 116.25 117.83 1xqq h VAL 26 Ca -0.04 -1.13 0.10 0.00 0.82 0.00 0.00 66.70 66.45 1xqq h VAL 26 Cb 1.41 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 32.63 1xqq h VAL 26 CO 0.13 0.35 0.57 0.11 0.02 0.00 0.00 177.57 178.75 1xqq h LYS 27 N 0.22 0.93 0.00 1.57 1.57 -0.44 -2.32 116.57 118.10 1xqq h LYS 27 Ca 0.06 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xqq h LYS 27 Cb 0.57 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1xqq h LYS 27 CO 0.03 0.61 0.00 0.00 -0.57 0.00 0.00 179.45 179.52 1xqq h ALA 28 N 1.48 1.00 -0.02 3.86 0.00 -1.19 -2.75 119.26 121.65 1xqq h ALA 28 Ca 0.44 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.15 1xqq h ALA 28 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xqq h ALA 28 CO -0.24 0.00 -0.87 -0.22 0.00 0.00 0.00 179.25 177.93 1xqq h LYS 29 N 0.00 0.33 -0.52 0.00 3.64 -1.16 -2.55 116.57 116.31 1xqq h LYS 29 Ca 0.00 -0.34 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1xqq h LYS 29 Cb 0.62 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1xqq h LYS 29 CO 0.00 1.02 0.17 0.82 -2.27 0.00 0.00 179.45 179.19 1xqq h ILE 30 N 0.20 1.23 -0.40 2.00 2.04 -1.39 -0.98 117.51 120.20 1xqq h ILE 30 Ca -0.06 -0.75 0.08 0.00 1.00 0.00 0.00 64.86 65.13 1xqq h ILE 30 Cb 1.49 0.74 -0.08 0.00 -0.74 0.00 0.00 36.82 38.22 1xqq h ILE 30 CO 0.14 0.28 -0.16 -0.61 0.00 0.00 0.00 178.15 177.81 1xqq h GLN 31 N 0.71 -0.08 -0.24 2.37 4.15 -1.50 -1.99 115.11 118.53 1xqq h GLN 31 Ca 0.17 0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.47 1xqq h GLN 31 Cb 0.26 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 1xqq h GLN 31 CO -0.01 -0.05 -0.35 0.22 -1.93 0.00 0.00 178.83 176.71 1xqq h ASP 32 N -0.08 0.73 0.01 -0.69 3.58 -1.05 -1.18 116.42 117.73 1xqq h ASP 32 Ca 0.19 -0.51 -0.07 0.00 0.42 0.00 0.00 57.03 57.06 1xqq h ASP 32 Cb 0.38 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.22 1xqq h ASP 32 CO -0.45 1.10 -0.28 0.50 -2.88 0.00 0.00 179.24 177.23 1xqq h LYS 33 N 0.38 0.18 0.00 0.28 3.64 -1.20 -3.42 116.57 116.43 1xqq h LYS 33 Ca 0.03 -0.20 -0.26 0.00 -1.27 0.00 0.00 60.65 58.95 1xqq h LYS 33 Cb 0.93 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 1xqq h LYS 33 CO 0.08 0.95 -1.80 0.39 -2.27 0.00 0.00 179.45 176.80 1xqq n GLU 34 N -4.48 0.49 0.00 1.90 -0.58 -0.75 -5.03 120.64 112.19 1xqq n GLU 34 Ca -0.10 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1xqq n GLU 34 Cb 0.53 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 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 1.58 1.55 3.64 0.62 0.00 -0.45 -5.05 105.19 107.08 1xqq n GLY 35 Ca -0.34 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 3.10 0.37 -0.61 1.01 -1.25 -4.86 121.20 118.95 1xqq s ILE 36 Ca 0.00 0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.56 1xqq s ILE 36 Cb 0.00 -3.09 -0.10 0.00 0.01 0.00 0.00 42.46 39.28 1xqq s ILE 36 CO 0.00 -0.03 0.87 -2.16 0.00 0.00 0.00 174.94 173.61 1xqq s PRO 37 N 5.16 4.21 0.17 2.79 0.04 -1.26 -3.57 135.00 142.54 1xqq s PRO 37 Ca 0.91 0.99 0.13 0.00 0.04 0.00 0.00 61.00 63.07 1xqq s PRO 37 Cb -0.37 -2.38 0.67 0.00 0.04 0.00 0.00 34.50 32.45 1xqq s PRO 37 CO 0.38 0.10 1.40 -2.30 0.04 0.00 0.00 177.00 176.61 1xqq n PRO 38 N -0.31 0.08 0.09 0.56 -0.02 -1.26 -2.17 135.00 131.97 1xqq n PRO 38 Ca 0.05 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 61.94 1xqq n PRO 38 Cb 0.53 -1.74 -0.13 0.00 -0.02 0.00 0.00 33.50 32.14 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1xqq h ASP 39 N 0.00 0.30 1.66 2.55 2.03 -2.00 -3.16 116.42 117.81 1xqq h ASP 39 Ca 0.00 -0.32 -0.01 0.00 -0.73 0.00 0.00 57.03 55.97 1xqq h ASP 39 Cb 0.05 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 38.45 1xqq h ASP 39 CO 0.00 1.25 -0.03 -0.61 -1.03 0.00 0.00 179.24 178.81 1xqq h GLN 40 N 0.06 0.00 -7.05 4.15 4.15 -1.72 -3.45 115.11 111.24 1xqq h GLN 40 Ca -0.10 0.00 -0.46 0.00 0.77 0.00 0.00 58.65 58.86 1xqq h GLN 40 Cb 1.90 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.60 1xqq h GLN 40 CO 0.18 0.03 0.38 -0.65 -1.93 0.00 0.00 178.83 176.84 1xqq s GLN 41 N -3.34 3.97 -0.32 1.69 -0.21 -1.19 -0.13 119.66 120.12 1xqq s GLN 41 Ca 0.05 1.32 0.00 0.00 0.02 0.00 0.00 55.36 56.75 1xqq s GLN 41 Cb 0.06 -2.19 0.14 0.00 1.00 0.00 0.00 33.01 32.02 1xqq s GLN 41 CO 0.64 -0.28 0.28 0.50 -2.12 0.00 0.00 175.29 174.31 1xqq s ARG 42 N -3.09 0.42 -0.21 2.91 3.52 0.47 -4.80 118.95 118.17 1xqq s ARG 42 Ca 0.64 -0.57 -0.25 0.00 -0.13 0.00 0.00 55.73 55.42 1xqq s ARG 42 Cb -0.15 -0.84 -0.01 0.00 -1.56 0.00 0.00 34.95 32.39 1xqq s ARG 42 CO 0.19 -1.10 0.85 -0.51 -0.81 0.00 0.00 175.30 173.92 1xqq s LEU 43 N 1.88 4.12 -0.11 -0.88 1.43 -1.26 -1.31 118.68 122.54 1xqq s LEU 43 Ca 0.13 1.11 -0.03 0.00 -1.03 0.00 0.00 54.13 54.31 1xqq s LEU 43 Cb -0.16 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1xqq s LEU 43 CO -0.21 -0.48 -0.00 -0.63 0.23 0.00 0.00 176.35 175.26 1xqq s ILE 44 N 2.60 4.24 -0.24 -0.59 -1.09 0.38 -2.15 121.20 124.34 1xqq s ILE 44 Ca 0.37 -0.26 -0.01 0.00 -2.23 0.00 0.00 60.65 58.52 1xqq s ILE 44 Cb -0.16 -2.81 0.03 0.00 -1.58 0.00 0.00 42.46 37.94 1xqq s ILE 44 CO 0.09 0.56 -0.08 0.12 -1.23 0.00 0.00 174.94 174.40 1xqq s PHE 45 N -0.44 3.07 0.00 3.97 5.36 0.04 -0.94 117.98 129.03 1xqq s PHE 45 Ca 0.08 -1.68 0.00 0.00 -0.96 0.00 0.00 56.93 54.37 1xqq s PHE 45 Cb -0.12 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.53 1xqq s PHE 45 CO 0.02 -0.76 0.00 0.00 -1.46 0.00 0.00 175.22 173.02 1xqq n ALA 46 N 4.63 0.00 0.77 11.12 0.00 -1.26 -1.36 120.51 134.41 1xqq n ALA 46 Ca -0.16 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.36 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 -0.01 3.63 0.00 0.00 -1.26 -4.91 105.19 102.64 1xqq n GLY 47 Ca 0.00 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.00 4.09 -0.64 1.61 1.02 -0.47 -5.04 119.74 118.31 1xqq s LYS 48 Ca 0.15 0.21 -0.25 0.00 0.02 0.00 0.00 55.97 56.09 1xqq s LYS 48 Cb 0.14 -3.62 0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1xqq s LYS 48 CO 0.43 -0.23 1.09 -1.14 -0.92 0.00 0.00 175.35 174.58 1xqq s GLN 49 N 1.93 3.26 0.17 1.68 0.74 -1.26 -0.78 119.66 125.39 1xqq s GLN 49 Ca 0.19 -0.33 -0.33 0.00 0.05 0.00 0.00 55.36 54.94 1xqq s GLN 49 Cb -0.15 -4.13 -0.15 0.00 1.10 0.00 0.00 33.01 29.67 1xqq s GLN 49 CO 0.09 -1.82 1.37 1.28 -0.55 0.00 0.00 175.29 175.66 1xqq n LEU 50 N 8.29 2.37 -4.62 3.68 4.77 -0.91 -4.99 117.00 125.58 1xqq n LEU 50 Ca 0.02 1.12 -0.34 0.00 -0.03 0.00 0.00 56.01 56.78 1xqq n LEU 50 Cb 0.48 -1.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.14 1xqq n LEU 50 CO 0.67 -0.78 -0.35 -1.61 -1.33 0.00 0.00 177.39 173.99 1xqq s GLU 51 N 0.09 2.84 0.15 3.23 2.02 -1.26 -4.87 118.70 120.89 1xqq s GLU 51 Ca 0.75 -0.50 -0.13 0.00 0.02 0.00 0.00 54.97 55.11 1xqq s GLU 51 Cb -0.77 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 30.82 1xqq s GLU 51 CO 0.47 0.67 1.67 -0.44 0.02 0.00 0.00 175.26 177.65 1xqq h ASP 52 N 5.23 0.74 0.54 -0.19 3.32 -1.96 -2.43 116.42 121.67 1xqq h ASP 52 Ca -0.49 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.34 1xqq h ASP 52 Cb 1.18 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1xqq h ASP 52 CO 0.53 0.76 -0.08 0.61 -1.72 0.00 0.00 179.24 179.35 1xqq n GLY 53 N -0.66 -1.17 3.90 2.75 0.00 -1.26 -0.07 105.19 108.67 1xqq n GLY 53 Ca 0.01 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.62 3.61 0.41 1.61 0.52 -0.92 -4.79 118.95 116.77 1xqq s ARG 54 Ca 0.26 0.28 -0.04 0.00 -0.52 0.00 0.00 55.73 55.71 1xqq s ARG 54 Cb 0.20 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 33.25 1xqq s ARG 54 CO 0.49 -0.16 0.69 0.95 0.02 0.00 0.00 175.30 177.29 1xqq s THR 55 N -2.64 4.97 0.18 0.02 -4.23 -1.26 -1.58 115.64 111.10 1xqq s THR 55 Ca 0.49 0.04 -0.14 0.00 -1.18 0.00 0.00 61.69 60.90 1xqq s THR 55 Cb -0.10 -3.83 0.07 0.00 1.34 0.00 0.00 72.50 69.98 1xqq s THR 55 CO 0.41 -0.66 1.82 -0.07 -0.54 0.00 0.00 174.62 175.59 1xqq h LEU 56 N 0.69 0.54 -0.94 4.79 3.38 -1.42 -1.48 115.31 120.88 1xqq h LEU 56 Ca -0.48 -0.00 0.28 0.00 0.09 0.00 0.00 57.88 57.77 1xqq h LEU 56 Cb 1.20 -0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.68 1xqq h LEU 56 CO 0.62 0.39 0.29 0.77 0.09 0.00 0.00 178.44 180.60 1xqq h SER 57 N 0.66 0.03 -0.73 -0.43 4.64 -1.44 -0.72 113.55 115.56 1xqq h SER 57 Ca 0.21 0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.70 1xqq h SER 57 Cb -0.01 0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1xqq h SER 57 CO -0.08 -0.23 0.29 -0.78 -0.87 0.00 0.00 176.83 175.16 1xqq h ASP 58 N 0.16 1.01 1.64 4.97 1.82 -1.55 -2.92 116.42 121.55 1xqq h ASP 58 Ca 0.63 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 1xqq h ASP 58 Cb 1.39 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1xqq h ASP 58 CO -0.72 0.91 -0.24 1.88 -1.61 0.00 0.00 179.24 179.46 1xqq h TYR 59 N 1.05 0.00 -0.23 0.28 0.05 -1.34 -3.47 116.97 113.30 1xqq h TYR 59 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 1xqq h TYR 59 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1xqq h TYR 59 CO 0.02 0.00 0.00 0.09 -1.05 0.00 0.00 178.16 177.22 1xqq n ASN 60 N -2.81 -1.19 -4.48 3.88 4.13 -0.42 -5.03 115.26 109.34 1xqq n ASN 60 Ca 0.03 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.86 1xqq n ASN 60 Cb 0.51 -0.48 -0.06 0.00 -1.54 0.00 0.00 39.78 38.21 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 -2.23 4.73 0.21 2.41 1.01 -0.41 -5.00 121.20 121.91 1xqq s ILE 61 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1xqq s ILE 61 Cb 0.00 -4.36 0.03 0.00 0.01 0.00 0.00 42.46 38.14 1xqq s ILE 61 CO 0.00 -0.87 0.25 0.00 0.00 0.00 0.00 174.94 174.32 1xqq n GLN 62 N 6.56 0.96 -1.33 2.79 10.64 -1.26 -4.39 117.38 131.35 1xqq n GLN 62 Ca -0.03 -1.19 -0.32 0.00 -1.83 0.00 0.00 57.00 53.63 1xqq n GLN 62 Cb 0.46 -0.02 0.09 0.00 -0.86 0.00 0.00 30.24 29.92 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1xqq s LYS 63 N -2.93 2.24 0.00 2.61 -2.85 -1.26 -3.34 119.74 114.21 1xqq s LYS 63 Ca 0.19 1.31 0.00 0.00 -1.00 0.00 0.00 55.97 56.47 1xqq s LYS 63 Cb -0.02 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.87 1xqq s LYS 63 CO 0.12 -1.67 0.00 0.39 0.10 0.00 0.00 175.35 174.29 1xqq n GLU 64 N -3.27 -0.36 -2.28 1.78 1.02 -0.13 -4.98 120.64 112.43 1xqq n GLU 64 Ca 0.10 0.09 -0.35 0.00 -0.02 0.00 0.00 57.16 56.98 1xqq n GLU 64 Cb 0.52 -3.48 -0.00 0.00 -0.02 0.00 0.00 31.44 28.47 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 -2.32 5.79 -0.17 1.62 0.01 -1.21 -4.76 113.70 112.67 1xqq s SER 65 Ca 0.00 2.18 0.01 0.00 1.31 0.00 0.00 55.95 59.45 1xqq s SER 65 Cb 0.00 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.66 1xqq s SER 65 CO 0.00 -1.17 -0.21 -0.89 0.41 0.00 0.00 173.24 171.39 1xqq s THR 66 N -1.76 2.05 -0.19 1.44 2.01 -1.26 -0.11 115.64 117.83 1xqq s THR 66 Ca 0.72 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 61.63 1xqq s THR 66 Cb -0.24 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 1xqq s THR 66 CO 0.27 0.54 0.29 -0.76 -0.69 0.00 0.00 174.62 174.27 1xqq s LEU 67 N 1.13 4.20 -0.15 4.42 1.02 -0.11 -4.72 118.68 124.47 1xqq s LEU 67 Ca 0.01 0.43 -0.12 0.00 0.02 0.00 0.00 54.13 54.47 1xqq s LEU 67 Cb -0.14 -2.35 -0.05 0.00 0.02 0.00 0.00 46.19 43.67 1xqq s LEU 67 CO -0.09 0.05 0.23 -1.00 0.02 0.00 0.00 176.35 175.56 1xqq s HIS 68 N 0.77 3.50 -0.32 0.29 3.76 -0.11 -0.33 115.29 122.85 1xqq s HIS 68 Ca 0.15 0.54 -0.07 0.00 -0.15 0.00 0.00 55.06 55.54 1xqq s HIS 68 Cb -0.13 -2.21 0.02 0.00 1.11 0.00 0.00 32.58 31.37 1xqq s HIS 68 CO 0.05 0.38 0.10 -1.17 -0.85 0.00 0.00 174.74 173.25 1xqq s LEU 69 N 0.02 4.10 -0.13 0.89 0.20 -0.19 -0.47 118.68 123.09 1xqq s LEU 69 Ca 0.14 -0.89 -0.18 0.00 0.69 0.00 0.00 54.13 53.90 1xqq s LEU 69 Cb -0.13 -1.89 -0.04 0.00 -0.43 0.00 0.00 46.19 43.70 1xqq s LEU 69 CO 0.03 -0.26 0.46 -0.69 -0.29 0.00 0.00 176.35 175.60 1xqq s VAL 70 N 1.47 5.20 -0.23 1.68 1.01 -0.43 -3.48 120.40 125.62 1xqq s VAL 70 Ca 0.01 0.89 -0.20 0.00 0.00 0.00 0.00 61.98 62.68 1xqq s VAL 70 Cb -0.18 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1xqq s VAL 70 CO 0.03 0.32 0.62 -0.76 0.00 0.00 0.00 175.10 175.31 1xqq s LEU 71 N 0.73 4.10 0.40 3.92 1.43 -1.26 -0.39 118.68 127.60 1xqq s LEU 71 Ca 0.24 0.76 0.08 0.00 -1.03 0.00 0.00 54.13 54.18 1xqq s LEU 71 Cb -0.15 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 1xqq s LEU 71 CO 0.09 -0.32 0.16 0.00 0.23 0.00 0.00 176.35 176.52 1xqq s ARG 72 N 2.19 2.24 0.25 1.70 1.70 0.81 -4.98 118.95 122.85 1xqq s ARG 72 Ca 0.27 -1.78 0.03 0.00 -0.47 0.00 0.00 55.73 53.78 1xqq s ARG 72 Cb -0.16 -2.01 0.03 0.00 -0.57 0.00 0.00 34.95 32.24 1xqq s ARG 72 CO 0.09 -0.06 0.25 1.28 -1.08 0.00 0.00 175.30 175.78 1xqq n LEU 73 N -1.20 0.00 -4.98 -1.89 4.77 -1.26 -4.71 117.00 107.73 1xqq n LEU 73 Ca -0.02 -1.19 -0.22 0.00 -0.03 0.00 0.00 56.01 54.56 1xqq n LEU 73 Cb 0.64 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.69 1xqq n LEU 73 CO 0.45 -0.48 0.41 -0.13 -1.33 0.00 0.00 177.39 176.31 1xqq s ARG 74 N -3.06 2.36 0.00 3.23 0.52 -1.26 -4.83 118.95 115.91 1xqq s ARG 74 Ca 0.19 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 1xqq s ARG 74 Cb -0.02 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 33.01 1xqq s ARG 74 CO 0.12 -0.87 0.00 0.41 0.02 0.00 0.00 175.30 174.98 1xqq n GLY 75 N -2.46 1.99 0.00 -3.53 0.00 -1.26 -5.27 105.19 94.67 1xqq n GLY 75 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93