#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 4.13 0.38 3.17 -0.21 -1.26 -1.42 119.66 124.46 1xqq s GLN 2 Ca 0.00 0.54 0.08 0.00 0.02 0.00 0.00 55.36 56.00 1xqq s GLN 2 Cb 0.00 -3.63 -0.06 0.00 1.00 0.00 0.00 33.01 30.32 1xqq s GLN 2 CO 0.00 -0.36 0.05 0.96 -2.12 0.00 0.00 175.29 173.82 1xqq s ILE 3 N 2.31 2.31 -0.10 1.08 -5.25 -1.07 -1.10 121.20 119.39 1xqq s ILE 3 Ca 0.26 -1.92 0.01 0.00 -0.99 0.00 0.00 60.65 58.01 1xqq s ILE 3 Cb -0.16 -2.90 -0.02 0.00 2.95 0.00 0.00 42.46 42.33 1xqq s ILE 3 CO 0.09 -0.08 -0.14 -0.36 -1.79 0.00 0.00 174.94 172.66 1xqq s PHE 4 N -2.61 2.77 -0.24 1.37 0.08 0.10 -1.73 117.98 117.73 1xqq s PHE 4 Ca 0.36 -0.45 -0.03 0.00 0.12 0.00 0.00 56.93 56.93 1xqq s PHE 4 Cb 0.04 -1.76 0.01 0.00 -0.57 0.00 0.00 43.02 40.74 1xqq s PHE 4 CO 0.20 -0.05 -0.03 0.08 -0.10 0.00 0.00 175.22 175.31 1xqq s VAL 5 N -0.08 3.27 0.16 -0.44 1.01 -0.28 -0.47 120.40 123.57 1xqq s VAL 5 Ca -0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 1xqq s VAL 5 Cb -0.14 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1xqq s VAL 5 CO 0.04 0.31 0.36 -0.54 0.00 0.00 0.00 175.10 175.27 1xqq s LYS 6 N 1.43 3.56 0.54 2.72 1.02 -0.15 -1.42 119.74 127.44 1xqq s LYS 6 Ca 0.04 -0.23 -0.06 0.00 0.02 0.00 0.00 55.97 55.73 1xqq s LYS 6 Cb -0.15 -2.87 0.12 0.00 -0.52 0.00 0.00 37.83 34.41 1xqq s LYS 6 CO -0.03 0.46 0.74 0.25 -0.92 0.00 0.00 175.35 175.85 1xqq n THR 7 N -0.20 0.00 0.33 2.17 -2.24 -0.81 -1.13 114.28 112.40 1xqq n THR 7 Ca -0.04 -0.76 0.12 0.00 -2.27 0.00 0.00 64.05 61.10 1xqq n THR 7 Cb 0.52 -1.44 0.13 0.00 -2.10 0.00 0.00 70.33 67.45 1xqq n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xqq h LEU 8 N 0.00 0.00 0.00 3.22 3.38 -1.92 -3.41 115.31 116.59 1xqq h LEU 8 Ca -0.24 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1xqq h LEU 8 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1xqq h LEU 8 CO 0.20 0.03 -0.00 0.71 0.09 0.00 0.00 178.44 179.47 1xqq h THR 9 N 0.00 0.00 0.00 0.22 1.35 -1.95 -3.49 112.91 109.04 1xqq h THR 9 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1xqq h THR 9 Cb 0.90 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 1xqq h THR 9 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1xqq n GLY 10 N 1.68 0.00 3.51 5.82 0.00 -1.26 -5.13 105.19 109.81 1xqq n GLY 10 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.62 -0.27 1.61 2.20 -1.26 -5.01 119.74 120.63 1xqq s LYS 11 Ca 0.00 -0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 55.05 1xqq s LYS 11 Cb 0.00 -2.90 0.01 0.00 -1.51 0.00 0.00 37.83 33.43 1xqq s LYS 11 CO 0.00 0.27 0.01 0.99 -0.36 0.00 0.00 175.35 176.27 1xqq s THR 12 N 0.27 3.51 0.17 3.43 2.01 -1.26 -1.92 115.64 121.86 1xqq s THR 12 Ca -0.03 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.26 1xqq s THR 12 Cb -0.14 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 1xqq s THR 12 CO 0.03 0.19 0.16 0.27 -0.69 0.00 0.00 174.62 174.57 1xqq s ILE 13 N 1.44 4.56 -0.12 1.82 -4.36 -0.50 -4.96 121.20 119.07 1xqq s ILE 13 Ca 0.02 -1.07 -0.01 0.00 -0.26 0.00 0.00 60.65 59.33 1xqq s ILE 13 Cb -0.16 -3.34 -0.02 0.00 1.25 0.00 0.00 42.46 40.18 1xqq s ILE 13 CO -0.01 -0.13 -0.09 -0.89 0.24 0.00 0.00 174.94 174.06 1xqq s THR 14 N -1.78 3.42 -0.09 8.37 2.01 -1.26 -1.13 115.64 125.18 1xqq s THR 14 Ca 0.31 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 1xqq s THR 14 Cb -0.10 -2.45 0.05 0.00 0.01 0.00 0.00 72.50 70.01 1xqq s THR 14 CO 0.24 0.53 0.20 -0.22 -0.69 0.00 0.00 174.62 174.67 1xqq s LEU 15 N 0.13 0.27 -0.53 4.42 2.96 -0.70 -5.00 118.68 120.23 1xqq s LEU 15 Ca -0.04 0.42 -0.19 0.00 -0.22 0.00 0.00 54.13 54.10 1xqq s LEU 15 Cb -0.14 0.50 0.08 0.00 0.50 0.00 0.00 46.19 47.12 1xqq s LEU 15 CO 0.04 -0.19 0.64 -1.61 -1.32 0.00 0.00 176.35 173.90 1xqq s GLU 16 N 1.68 3.08 0.11 1.98 2.02 -1.26 -2.59 118.70 123.72 1xqq s GLU 16 Ca -0.05 -1.08 0.04 0.00 0.02 0.00 0.00 54.97 53.91 1xqq s GLU 16 Cb -0.11 -4.16 -0.04 0.00 0.10 0.00 0.00 34.13 29.92 1xqq s GLU 16 CO -0.07 -1.32 -0.11 0.14 0.02 0.00 0.00 175.26 173.91 1xqq s VAL 17 N 2.58 1.06 0.26 2.63 -7.23 -0.51 -4.87 120.40 114.32 1xqq s VAL 17 Ca 0.13 -1.69 -0.18 0.00 -1.81 0.00 0.00 61.98 58.43 1xqq s VAL 17 Cb -0.21 -1.44 -0.08 0.00 0.56 0.00 0.00 36.38 35.21 1xqq s VAL 17 CO 0.09 -0.53 0.73 -1.61 -0.31 0.00 0.00 175.10 173.47 1xqq s GLU 18 N -2.82 4.16 0.04 4.82 0.41 -1.26 -0.60 118.70 123.45 1xqq s GLU 18 Ca 0.07 0.80 0.07 0.00 -0.41 0.00 0.00 54.97 55.50 1xqq s GLU 18 Cb -0.03 -2.72 0.32 0.00 -1.78 0.00 0.00 34.13 29.92 1xqq s GLU 18 CO 0.01 0.31 1.22 -0.35 -0.49 0.00 0.00 175.26 175.96 1xqq n PRO 19 N 0.35 0.02 0.00 0.39 -0.04 -1.26 -1.19 135.00 133.27 1xqq n PRO 19 Ca -0.00 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 1xqq n PRO 19 Cb 0.52 -1.56 0.30 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.61 0.85 -4.77 3.54 3.41 -1.26 -1.54 113.62 112.23 1xqq n SER 20 Ca 0.01 -0.66 -0.35 0.00 -0.26 0.00 0.00 58.87 57.61 1xqq n SER 20 Cb 0.06 0.22 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 -2.72 5.79 0.82 4.04 1.01 -0.33 -4.80 116.67 120.48 1xqq s ASP 21 Ca 0.18 2.21 -0.12 0.00 0.71 0.00 0.00 52.55 55.53 1xqq s ASP 21 Cb 0.18 -2.59 0.08 0.00 1.01 0.00 0.00 42.92 41.61 1xqq s ASP 21 CO 0.61 -1.17 1.18 0.42 0.21 0.00 0.00 175.17 176.42 1xqq s THR 22 N -1.72 2.00 0.25 -1.27 -4.23 -1.26 -2.85 115.64 106.56 1xqq s THR 22 Ca 0.71 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.35 1xqq s THR 22 Cb -0.25 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.62 1xqq s THR 22 CO 0.29 0.00 1.65 0.40 -0.54 0.00 0.00 174.62 176.41 1xqq h ILE 23 N -1.09 1.30 -0.28 2.99 1.08 -1.19 -0.58 117.51 119.74 1xqq h ILE 23 Ca -0.46 -1.96 0.01 0.00 -0.39 0.00 0.00 64.86 62.06 1xqq h ILE 23 Cb 1.33 2.08 -0.02 0.00 -3.07 0.00 0.00 36.82 37.14 1xqq h ILE 23 CO 0.65 0.54 0.17 -0.33 -0.69 0.00 0.00 178.15 178.49 1xqq h GLU 24 N 0.00 0.34 -0.83 2.37 5.08 -1.83 -0.98 114.58 118.73 1xqq h GLU 24 Ca -0.01 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1xqq h GLU 24 Cb 1.04 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 1xqq h GLU 24 CO 0.07 0.22 0.38 -0.91 -1.00 0.00 0.00 179.01 177.77 1xqq h ASN 25 N 0.35 1.10 -0.09 1.42 2.35 -1.57 -1.79 115.58 117.34 1xqq h ASN 25 Ca 0.11 -0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1xqq h ASN 25 Cb -0.01 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 1xqq h ASN 25 CO -0.05 0.94 -0.08 0.58 -1.65 0.00 0.00 177.43 177.17 1xqq h VAL 26 N 1.19 0.75 -0.01 2.81 2.07 -0.77 -2.24 116.25 120.06 1xqq h VAL 26 Ca 0.28 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.71 1xqq h VAL 26 Cb 0.15 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1xqq h VAL 26 CO -0.03 0.00 -0.42 0.11 0.02 0.00 0.00 177.57 177.25 1xqq h LYS 27 N -0.10 0.02 -0.33 1.57 1.57 -1.15 -1.31 116.57 116.83 1xqq h LYS 27 Ca 0.07 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1xqq h LYS 27 Cb 0.20 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1xqq h LYS 27 CO -0.16 0.44 0.01 0.00 -0.57 0.00 0.00 179.45 179.17 1xqq h ALA 28 N 1.56 1.40 0.25 3.86 0.00 -1.24 0.22 119.26 125.31 1xqq h ALA 28 Ca -0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 54.91 54.38 1xqq h ALA 28 Cb 0.76 -0.15 0.04 0.00 0.00 0.00 0.00 17.79 18.44 1xqq h ALA 28 CO 0.06 0.42 -1.50 -0.22 0.00 0.00 0.00 179.25 178.00 1xqq h LYS 29 N 0.49 0.52 -0.96 0.00 1.63 -0.74 0.32 116.57 117.83 1xqq h LYS 29 Ca 0.11 -0.90 0.09 0.00 -0.85 0.00 0.00 60.65 59.10 1xqq h LYS 29 Cb 0.30 0.33 -0.07 0.00 -0.60 0.00 0.00 32.23 32.20 1xqq h LYS 29 CO 0.01 1.43 0.62 0.82 -3.45 0.00 0.00 179.45 178.87 1xqq h ILE 30 N 0.14 1.01 -0.05 2.00 2.04 -1.07 -0.79 117.51 120.80 1xqq h ILE 30 Ca -0.26 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.27 1xqq h ILE 30 Cb 2.16 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1xqq h ILE 30 CO 0.27 0.19 -0.12 -0.61 0.00 0.00 0.00 178.15 177.87 1xqq h GLN 31 N 1.04 -0.18 -0.31 2.37 4.15 -0.79 -1.29 115.11 120.10 1xqq h GLN 31 Ca 0.44 0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.72 1xqq h GLN 31 Cb 0.31 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1xqq h GLN 31 CO -0.19 -0.12 -0.39 0.22 -1.93 0.00 0.00 178.83 176.42 1xqq h ASP 32 N -0.18 0.79 0.00 -0.69 3.58 0.06 -3.05 116.42 116.92 1xqq h ASP 32 Ca 0.06 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1xqq h ASP 32 Cb 0.27 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1xqq h ASP 32 CO -0.16 1.09 -0.06 0.50 -2.88 0.00 0.00 179.24 177.73 1xqq h LYS 33 N 0.61 0.00 0.00 0.28 3.64 -1.19 -3.43 116.57 116.47 1xqq h LYS 33 Ca 0.05 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.24 1xqq h LYS 33 Cb 0.94 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.72 1xqq h LYS 33 CO 0.09 0.00 -1.71 0.39 -2.27 0.00 0.00 179.45 175.95 1xqq n GLU 34 N -3.14 0.64 -1.60 1.90 -0.58 -0.55 -4.99 120.64 112.32 1xqq n GLU 34 Ca -0.01 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1xqq n GLU 34 Cb 0.03 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 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 1.46 0.96 3.71 0.62 0.00 -0.81 -5.01 105.19 106.11 1xqq n GLY 35 Ca -0.14 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.53 5.09 0.64 -0.61 1.01 -1.22 -4.94 121.20 118.65 1xqq s ILE 36 Ca 0.00 1.22 -0.13 0.00 0.00 0.00 0.00 60.65 61.75 1xqq s ILE 36 Cb 0.00 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1xqq s ILE 36 CO 0.00 0.25 1.04 -2.16 0.00 0.00 0.00 174.94 174.08 1xqq s PRO 37 N 0.93 3.27 0.00 2.79 0.04 -1.26 -3.09 135.00 137.67 1xqq s PRO 37 Ca 0.32 0.97 0.27 0.00 0.04 0.00 0.00 61.00 62.60 1xqq s PRO 37 Cb -0.16 -2.03 1.00 0.00 0.04 0.00 0.00 34.50 33.35 1xqq s PRO 37 CO 0.14 -0.84 1.72 -0.35 0.04 0.00 0.00 177.00 177.71 1xqq n PRO 38 N -2.64 1.69 0.09 0.56 -0.04 -1.26 -2.69 135.00 130.72 1xqq n PRO 38 Ca 0.07 -1.01 -0.04 0.00 -0.04 0.00 0.00 63.50 62.48 1xqq n PRO 38 Cb 0.54 -1.47 -0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xqq h ASP 39 N 2.42 0.00 -0.11 3.54 2.03 -1.99 -3.19 116.42 119.12 1xqq h ASP 39 Ca 0.00 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.13 1xqq h ASP 39 Cb 0.52 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.01 1xqq h ASP 39 CO 0.00 0.83 -0.55 1.56 -1.03 0.00 0.00 179.24 180.05 1xqq h GLN 40 N 0.00 0.69 -6.27 4.15 4.20 -1.87 -3.45 115.11 112.56 1xqq h GLN 40 Ca -0.01 -0.44 -0.57 0.00 0.06 0.00 0.00 58.65 57.69 1xqq h GLN 40 Cb 1.49 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 29.27 1xqq h GLN 40 CO 0.11 1.06 0.91 -0.65 -0.67 0.00 0.00 178.83 179.59 1xqq s GLN 41 N -4.05 4.05 -0.20 1.46 -0.21 -1.21 -1.62 119.66 117.88 1xqq s GLN 41 Ca -0.09 1.31 -0.02 0.00 0.02 0.00 0.00 55.36 56.59 1xqq s GLN 41 Cb 0.11 -3.80 0.00 0.00 1.00 0.00 0.00 33.01 30.32 1xqq s GLN 41 CO 0.86 -0.94 -0.12 0.50 -2.12 0.00 0.00 175.29 173.48 1xqq s ARG 42 N 3.82 3.20 -0.29 2.91 3.52 -0.54 -4.97 118.95 126.60 1xqq s ARG 42 Ca 0.52 -0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 55.36 1xqq s ARG 42 Cb -0.17 -2.80 0.03 0.00 -1.56 0.00 0.00 34.95 30.45 1xqq s ARG 42 CO 0.18 -0.19 0.03 -1.17 -0.81 0.00 0.00 175.30 173.34 1xqq s LEU 43 N 1.36 3.77 -0.12 -0.88 2.96 -1.26 -1.64 118.68 122.86 1xqq s LEU 43 Ca 0.05 -0.95 -0.06 0.00 -0.22 0.00 0.00 54.13 52.95 1xqq s LEU 43 Cb -0.14 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1xqq s LEU 43 CO -0.07 -0.21 0.08 -0.63 -1.32 0.00 0.00 176.35 174.19 1xqq s ILE 44 N 1.38 4.99 -0.34 6.68 -1.09 0.12 -0.61 121.20 132.34 1xqq s ILE 44 Ca -0.01 0.02 -0.09 0.00 -2.23 0.00 0.00 60.65 58.34 1xqq s ILE 44 Cb -0.18 -3.17 0.02 0.00 -1.58 0.00 0.00 42.46 37.55 1xqq s ILE 44 CO -0.00 0.58 0.15 0.12 -1.23 0.00 0.00 174.94 174.56 1xqq s PHE 45 N -0.68 3.22 0.00 3.97 5.36 0.60 -0.66 117.98 129.79 1xqq s PHE 45 Ca 0.12 -1.04 0.00 0.00 -0.96 0.00 0.00 56.93 55.05 1xqq s PHE 45 Cb -0.12 -2.35 0.00 0.00 -0.34 0.00 0.00 43.02 40.21 1xqq s PHE 45 CO 0.02 -0.63 0.00 0.00 -1.46 0.00 0.00 175.22 173.15 1xqq n ALA 46 N 4.92 0.00 -0.13 11.12 0.00 -1.26 -1.57 120.51 133.59 1xqq n ALA 46 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1xqq n ALA 46 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 1.77 3.67 0.00 0.00 -1.26 -5.02 105.19 104.35 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 -0.75 4.25 -0.03 1.61 2.47 -0.61 -5.06 119.74 121.62 1xqq s LYS 48 Ca 0.00 0.62 -0.24 0.00 -1.56 0.00 0.00 55.97 54.79 1xqq s LYS 48 Cb 0.00 -3.55 -0.04 0.00 -1.46 0.00 0.00 37.83 32.78 1xqq s LYS 48 CO 0.00 -0.16 0.74 -1.14 0.16 0.00 0.00 175.35 174.95 1xqq s GLN 49 N 1.64 4.46 -0.18 4.03 0.74 -1.26 -0.29 119.66 128.80 1xqq s GLN 49 Ca 0.29 0.98 -0.17 0.00 0.05 0.00 0.00 55.36 56.52 1xqq s GLN 49 Cb -0.16 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 1xqq s GLN 49 CO 0.11 0.13 0.43 -0.51 -0.55 0.00 0.00 175.29 174.90 1xqq s LEU 50 N 0.53 4.19 0.13 3.68 1.43 0.22 -4.94 118.68 123.93 1xqq s LEU 50 Ca 0.39 0.62 0.10 0.00 -1.03 0.00 0.00 54.13 54.22 1xqq s LEU 50 Cb -0.19 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1xqq s LEU 50 CO 0.20 -0.06 -0.26 -1.61 0.23 0.00 0.00 176.35 174.86 1xqq s GLU 51 N 1.11 1.36 0.00 1.70 2.02 -1.26 -4.62 118.70 119.01 1xqq s GLU 51 Ca 0.22 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 53.87 1xqq s GLU 51 Cb -0.15 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.29 1xqq s GLU 51 CO 0.08 0.42 0.00 -0.25 0.02 0.00 0.00 175.26 175.53 1xqq n ASP 52 N 0.88 0.00 -2.13 -0.19 8.00 -1.26 -3.14 116.55 118.70 1xqq n ASP 52 Ca -0.18 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.07 1xqq n ASP 52 Cb 0.53 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.75 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqq n GLY 53 N -0.69 4.72 3.35 0.44 0.00 -1.26 -2.39 105.19 109.36 1xqq n GLY 53 Ca 0.00 -1.41 -0.18 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.07 1.51 0.46 1.61 0.52 -1.19 -4.99 118.95 113.80 1xqq s ARG 54 Ca 0.53 -1.84 0.03 0.00 -0.52 0.00 0.00 55.73 53.93 1xqq s ARG 54 Cb 0.43 -0.34 0.01 0.00 0.52 0.00 0.00 34.95 35.57 1xqq s ARG 54 CO 0.05 -0.32 0.65 0.95 0.02 0.00 0.00 175.30 176.65 1xqq s THR 55 N -3.63 3.44 0.36 0.02 -4.23 -1.26 -2.56 115.64 107.78 1xqq s THR 55 Ca 0.36 -0.72 0.05 0.00 -1.18 0.00 0.00 61.69 60.21 1xqq s THR 55 Cb 0.07 -3.24 0.20 0.00 1.34 0.00 0.00 72.50 70.87 1xqq s THR 55 CO 0.15 -0.14 1.94 -0.07 -0.54 0.00 0.00 174.62 175.96 1xqq h LEU 56 N 0.42 0.48 -1.19 4.79 3.38 -1.34 -3.17 115.31 118.69 1xqq h LEU 56 Ca -0.44 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.50 1xqq h LEU 56 Cb 1.27 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1xqq h LEU 56 CO 0.53 0.48 0.56 -1.28 0.09 0.00 0.00 178.44 178.81 1xqq h SER 57 N 0.52 0.92 -0.15 -0.43 0.87 -1.53 -1.52 113.55 112.23 1xqq h SER 57 Ca 0.12 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 1xqq h SER 57 Cb 0.19 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1xqq h SER 57 CO -0.01 0.65 -0.06 0.44 -0.53 0.00 0.00 176.83 177.32 1xqq h ASP 58 N 1.08 -0.21 0.00 6.23 3.32 -1.85 -0.95 116.42 124.04 1xqq h ASP 58 Ca 0.33 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1xqq h ASP 58 Cb -0.02 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1xqq h ASP 58 CO -0.09 -0.08 0.00 -1.22 -1.72 0.00 0.00 179.24 176.13 1xqq n TYR 59 N -5.20 0.00 -3.86 4.55 4.01 -1.11 -4.90 117.16 110.65 1xqq n TYR 59 Ca -0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.42 1xqq n TYR 59 Cb 0.13 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.19 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 -0.58 -5.00 -4.63 7.72 5.03 -0.36 -4.97 115.26 112.47 1xqq n ASN 60 Ca 0.03 -0.74 -0.43 0.00 0.87 0.00 0.00 54.58 54.31 1xqq n ASN 60 Cb 0.02 -4.08 -0.02 0.00 -1.02 0.00 0.00 39.78 34.68 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xqq s ILE 61 N -3.31 4.31 0.69 2.41 1.01 -0.60 -5.00 121.20 120.71 1xqq s ILE 61 Ca 0.64 1.50 -0.01 0.00 0.00 0.00 0.00 60.65 62.78 1xqq s ILE 61 Cb -0.31 -4.28 0.11 0.00 0.01 0.00 0.00 42.46 37.99 1xqq s ILE 61 CO 0.81 -0.48 0.96 -1.10 0.00 0.00 0.00 174.94 175.13 1xqq s GLN 62 N 3.92 1.85 0.48 2.79 -0.21 -1.26 -4.61 119.66 122.61 1xqq s GLN 62 Ca 0.51 -1.02 -0.22 0.00 0.02 0.00 0.00 55.36 54.65 1xqq s GLN 62 Cb -0.15 -2.35 -0.07 0.00 1.00 0.00 0.00 33.01 31.44 1xqq s GLN 62 CO 0.20 -1.31 1.17 -1.59 -2.12 0.00 0.00 175.29 171.63 1xqq s LYS 63 N -5.08 3.67 -0.83 2.91 -2.85 -1.26 -3.21 119.74 113.10 1xqq s LYS 63 Ca 0.64 1.77 0.00 0.00 -1.00 0.00 0.00 55.97 57.38 1xqq s LYS 63 Cb -0.06 -2.34 0.00 0.00 -2.06 0.00 0.00 37.83 33.36 1xqq s LYS 63 CO 0.43 -0.62 0.00 0.39 0.10 0.00 0.00 175.35 175.65 1xqq n GLU 64 N -0.63 -0.66 -2.63 1.78 1.02 -0.25 -5.01 120.64 114.25 1xqq n GLU 64 Ca 0.08 0.73 -0.34 0.00 -0.02 0.00 0.00 57.16 57.61 1xqq n GLU 64 Cb 0.48 -4.59 -0.05 0.00 -0.02 0.00 0.00 31.44 27.27 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 -2.78 6.64 -0.52 1.62 0.01 -1.20 -4.69 113.70 112.79 1xqq s SER 65 Ca 0.00 1.88 -0.21 0.00 1.31 0.00 0.00 55.95 58.93 1xqq s SER 65 Cb 0.00 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.72 1xqq s SER 65 CO 0.00 -0.57 0.75 -0.89 0.41 0.00 0.00 173.24 172.94 1xqq s THR 66 N -1.96 4.69 0.26 1.44 2.01 -1.26 0.02 115.64 120.84 1xqq s THR 66 Ca 0.63 -0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.42 1xqq s THR 66 Cb -0.15 -4.38 -0.06 0.00 0.01 0.00 0.00 72.50 67.91 1xqq s THR 66 CO 0.20 -0.90 0.55 -0.76 -0.69 0.00 0.00 174.62 173.02 1xqq s LEU 67 N 3.15 4.11 -0.13 4.42 1.43 0.38 -4.70 118.68 127.33 1xqq s LEU 67 Ca 0.22 0.83 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 1xqq s LEU 67 Cb -0.16 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.45 1xqq s LEU 67 CO 0.15 -0.14 -0.22 -1.00 0.23 0.00 0.00 176.35 175.38 1xqq s HIS 68 N -1.95 2.66 -0.24 0.29 3.76 0.16 -0.98 115.29 118.99 1xqq s HIS 68 Ca 0.46 -1.28 -0.09 0.00 -0.15 0.00 0.00 55.06 53.99 1xqq s HIS 68 Cb -0.11 -1.80 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 1xqq s HIS 68 CO 0.26 -0.57 0.13 -1.17 -0.85 0.00 0.00 174.74 172.53 1xqq s LEU 69 N 0.74 3.87 -0.16 0.89 2.96 -0.28 0.16 118.68 126.86 1xqq s LEU 69 Ca -0.09 -0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1xqq s LEU 69 Cb -0.16 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1xqq s LEU 69 CO -0.00 0.03 0.00 -0.69 -1.32 0.00 0.00 176.35 174.38 1xqq s VAL 70 N 1.23 4.28 -0.08 1.68 1.01 -0.65 -3.66 120.40 124.21 1xqq s VAL 70 Ca 0.06 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1xqq s VAL 70 Cb -0.14 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1xqq s VAL 70 CO 0.05 0.49 0.20 -0.76 0.00 0.00 0.00 175.10 175.08 1xqq s LEU 71 N 0.28 4.40 0.25 3.92 1.43 -1.26 -1.47 118.68 126.23 1xqq s LEU 71 Ca -0.00 0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 53.35 1xqq s LEU 71 Cb -0.13 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.75 1xqq s LEU 71 CO 0.02 0.37 1.14 -0.60 0.23 0.00 0.00 176.35 177.51 1xqq s ARG 72 N -1.17 4.58 0.42 1.70 3.52 -0.64 -5.03 118.95 122.32 1xqq s ARG 72 Ca 0.18 1.85 0.08 0.00 -0.13 0.00 0.00 55.73 57.71 1xqq s ARG 72 Cb -0.13 -3.20 -0.01 0.00 -1.56 0.00 0.00 34.95 30.06 1xqq s ARG 72 CO 0.08 0.10 0.45 -0.51 -0.81 0.00 0.00 175.30 174.60 1xqq s LEU 73 N -1.12 3.45 0.68 -0.88 1.43 -1.26 -4.94 118.68 116.04 1xqq s LEU 73 Ca 0.47 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1xqq s LEU 73 Cb -0.33 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 43.68 1xqq s LEU 73 CO 0.41 -0.71 1.05 -0.13 0.23 0.00 0.00 176.35 177.20 1xqq s ARG 74 N -4.21 3.08 -0.60 1.70 1.81 -1.26 -4.36 118.95 115.10 1xqq s ARG 74 Ca 0.50 0.93 -0.16 0.00 -1.72 0.00 0.00 55.73 55.29 1xqq s ARG 74 Cb -0.05 -2.01 0.02 0.00 -0.45 0.00 0.00 34.95 32.46 1xqq s ARG 74 CO 0.30 -0.99 0.57 0.41 -0.68 0.00 0.00 175.30 174.91 1xqq n GLY 75 N -2.07 -0.60 0.00 -3.53 0.00 -1.26 -5.34 105.19 92.39 1xqq n GLY 75 Ca 0.07 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.87 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93