#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 3.27 0.33 3.17 -0.21 -1.26 -0.21 119.66 124.75 1xqq s GLN 2 Ca 0.00 -0.50 0.03 0.00 0.02 0.00 0.00 55.36 54.92 1xqq s GLN 2 Cb 0.00 -2.95 -0.04 0.00 1.00 0.00 0.00 33.01 31.02 1xqq s GLN 2 CO 0.00 0.61 0.15 0.96 -2.12 0.00 0.00 175.29 174.88 1xqq s ILE 3 N -1.44 0.47 0.09 1.08 -5.25 -0.65 -0.32 121.20 115.17 1xqq s ILE 3 Ca 0.32 -2.00 0.07 0.00 -0.99 0.00 0.00 60.65 58.06 1xqq s ILE 3 Cb -0.13 -2.50 -0.03 0.00 2.95 0.00 0.00 42.46 42.75 1xqq s ILE 3 CO 0.25 0.00 -0.20 -0.36 -1.79 0.00 0.00 174.94 172.84 1xqq s PHE 4 N -3.47 1.67 -0.15 1.37 0.08 0.10 -2.22 117.98 115.36 1xqq s PHE 4 Ca 0.33 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.94 1xqq s PHE 4 Cb 0.05 -0.93 -0.01 0.00 -0.57 0.00 0.00 43.02 41.55 1xqq s PHE 4 CO 0.17 0.17 -0.10 0.08 -0.10 0.00 0.00 175.22 175.44 1xqq s VAL 5 N -1.15 3.23 -0.28 -0.44 1.01 0.10 -0.59 120.40 122.29 1xqq s VAL 5 Ca 0.05 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1xqq s VAL 5 Cb -0.10 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1xqq s VAL 5 CO 0.04 0.50 0.10 -0.75 0.00 0.00 0.00 175.10 174.98 1xqq s LYS 6 N 0.61 3.46 0.57 2.72 2.20 -0.35 -0.66 119.74 128.29 1xqq s LYS 6 Ca -0.06 -0.62 -0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1xqq s LYS 6 Cb -0.15 -3.42 0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1xqq s LYS 6 CO 0.03 -0.31 0.80 0.95 -0.36 0.00 0.00 175.35 176.47 1xqq s THR 7 N 1.60 2.71 0.26 3.43 -4.23 -1.23 -1.40 115.64 116.78 1xqq s THR 7 Ca 0.05 -0.59 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1xqq s THR 7 Cb -0.16 -3.04 0.17 0.00 1.34 0.00 0.00 72.50 70.81 1xqq s THR 7 CO 0.04 -0.03 1.83 -0.07 -0.54 0.00 0.00 174.62 175.85 1xqq h LEU 8 N -0.01 0.93 0.82 4.79 3.38 -1.95 -3.34 115.31 119.94 1xqq h LEU 8 Ca -0.43 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 1xqq h LEU 8 Cb 1.30 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.81 1xqq h LEU 8 CO 0.54 0.83 -0.40 0.74 0.09 0.00 0.00 178.44 180.24 1xqq h THR 9 N 1.00 0.00 0.00 0.22 2.02 -1.94 -3.48 112.91 110.72 1xqq h THR 9 Ca 0.23 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1xqq h THR 9 Cb 0.19 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1xqq h THR 9 CO -0.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.48 1xqq n GLY 10 N -1.36 -0.14 3.50 2.16 0.00 -1.25 -5.17 105.19 102.93 1xqq n GLY 10 Ca -0.14 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1xqq n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 11 N 0.00 1.72 -0.23 1.61 1.02 -1.26 -4.99 119.74 117.61 1xqq s LYS 11 Ca 0.00 -1.92 -0.01 0.00 0.02 0.00 0.00 55.97 54.05 1xqq s LYS 11 Cb 0.00 -1.30 0.07 0.00 -0.52 0.00 0.00 37.83 36.08 1xqq s LYS 11 CO 0.00 -0.02 0.02 0.99 -0.92 0.00 0.00 175.35 175.42 1xqq s THR 12 N -2.94 0.93 -0.18 2.17 2.01 -1.26 -3.55 115.64 112.83 1xqq s THR 12 Ca 0.33 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 61.31 1xqq s THR 12 Cb 0.06 -1.41 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 1xqq s THR 12 CO 0.15 -0.25 0.11 -0.63 -0.69 0.00 0.00 174.62 173.30 1xqq s ILE 13 N 1.66 5.21 -0.32 1.82 1.01 0.17 -4.94 121.20 125.80 1xqq s ILE 13 Ca -0.01 0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.66 1xqq s ILE 13 Cb -0.18 -3.35 -0.00 0.00 0.01 0.00 0.00 42.46 38.94 1xqq s ILE 13 CO -0.10 0.47 0.15 -0.89 0.00 0.00 0.00 174.94 174.58 1xqq s THR 14 N 0.15 4.56 -0.19 2.92 2.01 -1.26 0.01 115.64 123.84 1xqq s THR 14 Ca 0.08 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.51 1xqq s THR 14 Cb -0.12 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 1xqq s THR 14 CO -0.01 0.03 0.06 -0.76 -0.69 0.00 0.00 174.62 173.25 1xqq s LEU 15 N 1.60 3.76 -0.53 4.42 1.43 -0.94 -4.99 118.68 123.43 1xqq s LEU 15 Ca 0.04 0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 52.95 1xqq s LEU 15 Cb -0.17 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 44.13 1xqq s LEU 15 CO 0.06 0.16 0.90 -0.70 0.23 0.00 0.00 176.35 177.00 1xqq s GLU 16 N 0.48 3.33 0.21 1.70 2.56 -1.26 -1.63 118.70 124.09 1xqq s GLU 16 Ca 0.03 -0.28 0.11 0.00 0.00 0.00 0.00 54.97 54.84 1xqq s GLU 16 Cb -0.13 -4.04 -0.05 0.00 2.00 0.00 0.00 34.13 31.92 1xqq s GLU 16 CO 0.01 -1.42 -0.23 0.14 -0.56 0.00 0.00 175.26 173.20 1xqq s VAL 17 N 3.78 2.36 -0.09 3.70 -7.23 0.71 -4.83 120.40 118.80 1xqq s VAL 17 Ca 0.30 -2.12 -0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1xqq s VAL 17 Cb -0.13 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 1xqq s VAL 17 CO 0.19 -0.19 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.12 1xqq s GLU 18 N -2.89 3.00 0.01 4.82 0.41 -1.26 0.14 118.70 122.93 1xqq s GLU 18 Ca 0.23 -0.53 0.29 0.00 -0.41 0.00 0.00 54.97 54.54 1xqq s GLU 18 Cb -0.07 -2.68 1.17 0.00 -1.78 0.00 0.00 34.13 30.76 1xqq s GLU 18 CO 0.11 0.56 1.89 -0.35 -0.49 0.00 0.00 175.26 176.98 1xqq n PRO 19 N 2.55 0.01 0.03 0.39 -0.04 -1.26 -1.47 135.00 135.21 1xqq n PRO 19 Ca -0.18 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1xqq n PRO 19 Cb 0.53 -1.52 0.20 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.54 0.60 -4.87 3.54 7.64 -1.26 -2.08 113.62 115.65 1xqq n SER 20 Ca 0.07 -0.03 -0.31 0.00 1.01 0.00 0.00 58.87 59.61 1xqq n SER 20 Cb 0.34 0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 63.77 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 -3.72 6.37 0.67 6.43 1.11 -0.54 -4.77 116.67 122.21 1xqq s ASP 21 Ca 0.08 1.35 -0.05 0.00 0.18 0.00 0.00 52.55 54.11 1xqq s ASP 21 Cb 0.15 -2.43 0.06 0.00 1.07 0.00 0.00 42.92 41.77 1xqq s ASP 21 CO 0.71 -0.69 0.96 0.42 1.18 0.00 0.00 175.17 177.75 1xqq s THR 22 N -2.87 2.36 -0.04 -1.27 -4.23 -1.26 -3.52 115.64 104.81 1xqq s THR 22 Ca 0.54 -0.38 0.12 0.00 -1.18 0.00 0.00 61.69 60.80 1xqq s THR 22 Cb -0.11 -2.99 -0.07 0.00 1.34 0.00 0.00 72.50 70.68 1xqq s THR 22 CO 0.44 0.00 1.31 0.40 -0.54 0.00 0.00 174.62 176.23 1xqq h ILE 23 N -0.44 1.20 -0.42 2.99 2.04 -0.21 -2.99 117.51 119.67 1xqq h ILE 23 Ca -0.44 -2.72 -0.01 0.00 1.00 0.00 0.00 64.86 62.69 1xqq h ILE 23 Cb 1.31 2.58 -0.02 0.00 -0.74 0.00 0.00 36.82 39.95 1xqq h ILE 23 CO 0.57 0.68 0.21 -0.08 0.00 0.00 0.00 178.15 179.53 1xqq h GLU 24 N 0.00 0.60 0.00 2.37 4.81 -1.54 -2.74 114.58 118.08 1xqq h GLU 24 Ca -0.03 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1xqq h GLU 24 Cb 1.58 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.85 1xqq h GLU 24 CO 0.09 0.52 -0.01 -0.97 -0.73 0.00 0.00 179.01 177.91 1xqq h ASN 25 N 0.54 0.00 -0.17 1.04 -0.73 -1.84 0.21 115.58 114.64 1xqq h ASN 25 Ca 0.15 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.11 1xqq h ASN 25 Cb 0.10 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.70 1xqq h ASN 25 CO -0.02 0.01 -0.71 0.58 -0.37 0.00 0.00 177.43 176.92 1xqq h VAL 26 N 0.00 1.28 -0.48 2.57 2.07 -1.38 -2.69 116.25 117.63 1xqq h VAL 26 Ca -0.00 -1.91 -0.11 0.00 0.82 0.00 0.00 66.70 65.50 1xqq h VAL 26 Cb 0.22 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1xqq h VAL 26 CO 0.00 0.61 -0.12 0.11 0.02 0.00 0.00 177.57 178.19 1xqq h LYS 27 N 0.52 0.90 0.00 1.57 1.57 -0.73 -2.25 116.57 118.15 1xqq h LYS 27 Ca -0.04 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1xqq h LYS 27 Cb 1.34 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1xqq h LYS 27 CO 0.15 0.96 0.00 0.00 -0.57 0.00 0.00 179.45 179.99 1xqq n ALA 28 N -2.49 1.30 0.09 3.86 0.00 0.56 -0.86 120.51 122.96 1xqq n ALA 28 Ca 0.01 0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 1xqq n ALA 28 Cb 0.39 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.53 1xqq n ALA 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1xqq h LYS 29 N 0.00 0.39 -0.97 0.00 1.79 -1.06 -3.13 116.57 113.59 1xqq h LYS 29 Ca 0.00 -0.67 0.12 0.00 -2.18 0.00 0.00 60.65 57.92 1xqq h LYS 29 Cb 0.12 0.25 -0.08 0.00 -1.58 0.00 0.00 32.23 30.94 1xqq h LYS 29 CO 0.00 1.30 0.60 0.82 -1.08 0.00 0.00 179.45 181.09 1xqq h ILE 30 N 0.11 0.92 -0.77 1.86 2.04 -1.09 -1.19 117.51 119.38 1xqq h ILE 30 Ca -0.30 -0.33 0.13 0.00 1.00 0.00 0.00 64.86 65.36 1xqq h ILE 30 Cb 2.09 -0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 1xqq h ILE 30 CO 0.19 0.17 0.51 -0.61 0.00 0.00 0.00 178.15 178.42 1xqq h GLN 31 N 0.96 0.53 0.60 2.37 4.15 -1.05 0.73 115.11 123.40 1xqq h GLN 31 Ca 0.48 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.84 1xqq h GLN 31 Cb 0.46 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.04 1xqq h GLN 31 CO -0.26 0.35 -0.29 0.22 -1.93 0.00 0.00 178.83 176.92 1xqq h ASP 32 N 0.55 -0.68 0.34 -0.69 3.58 -1.33 -3.00 116.42 115.19 1xqq h ASP 32 Ca 0.37 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.78 1xqq h ASP 32 Cb 0.68 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1xqq h ASP 32 CO -0.14 -0.38 -0.16 0.50 -2.88 0.00 0.00 179.24 176.18 1xqq h LYS 33 N -0.97 -0.44 0.00 0.28 1.63 -0.70 -3.38 116.57 112.99 1xqq h LYS 33 Ca -0.08 0.03 -0.21 0.00 -0.85 0.00 0.00 60.65 59.54 1xqq h LYS 33 Cb 0.67 0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.36 1xqq h LYS 33 CO 0.13 -0.30 -1.72 0.39 -3.45 0.00 0.00 179.45 174.51 1xqq n GLU 34 N -3.66 0.64 -0.39 1.90 -0.58 0.20 -5.01 120.64 113.74 1xqq n GLU 34 Ca -0.06 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1xqq n GLU 34 Cb 0.18 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.34 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 1.47 1.55 3.11 0.62 0.00 -1.10 -5.03 105.19 105.81 1xqq n GLY 35 Ca -0.15 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 2.06 0.77 -0.61 1.01 -1.25 -4.98 121.20 116.20 1xqq s ILE 36 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 1xqq s ILE 36 Cb 0.00 -1.91 0.05 0.00 0.01 0.00 0.00 42.46 40.61 1xqq s ILE 36 CO 0.00 0.45 1.08 -2.84 0.00 0.00 0.00 174.94 173.64 1xqq s PRO 37 N 1.27 2.31 0.27 2.79 0.02 -1.26 -3.55 135.00 136.85 1xqq s PRO 37 Ca 0.03 0.90 0.26 0.00 0.02 0.00 0.00 61.00 62.20 1xqq s PRO 37 Cb -0.14 -1.92 0.88 0.00 0.02 0.00 0.00 34.50 33.33 1xqq s PRO 37 CO -0.12 -1.53 1.76 -1.00 -0.33 0.00 0.00 177.00 175.78 1xqq h PRO 38 N -1.03 0.00 0.00 5.54 0.13 -1.93 -2.60 132.00 132.11 1xqq h PRO 38 Ca -0.45 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 1xqq h PRO 38 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1xqq h PRO 38 CO 0.56 0.00 -0.95 0.22 -0.23 0.00 0.00 178.00 177.60 1xqq h ASP 39 N 0.00 0.00 1.48 1.44 3.58 -1.97 -3.18 116.42 117.77 1xqq h ASP 39 Ca 0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1xqq h ASP 39 Cb 0.61 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1xqq h ASP 39 CO 0.00 0.95 -0.33 1.56 -2.88 0.00 0.00 179.24 178.54 1xqq h GLN 40 N 0.00 0.00 -6.82 0.28 4.20 -1.85 -3.44 115.11 107.49 1xqq h GLN 40 Ca -0.01 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.19 1xqq h GLN 40 Cb 1.70 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.51 1xqq h GLN 40 CO 0.12 0.33 0.54 -0.65 -0.67 0.00 0.00 178.83 178.50 1xqq s GLN 41 N -3.17 4.54 0.09 1.46 -0.21 -1.00 0.12 119.66 121.49 1xqq s GLN 41 Ca 0.04 1.94 0.10 0.00 0.02 0.00 0.00 55.36 57.46 1xqq s GLN 41 Cb 0.08 -3.16 -0.03 0.00 1.00 0.00 0.00 33.01 30.89 1xqq s GLN 41 CO 0.70 0.05 -0.26 0.50 -2.12 0.00 0.00 175.29 174.17 1xqq s ARG 42 N -1.43 1.61 -0.20 2.91 3.52 0.19 -4.40 118.95 121.15 1xqq s ARG 42 Ca 0.47 -1.23 -0.00 0.00 -0.13 0.00 0.00 55.73 54.84 1xqq s ARG 42 Cb -0.35 -1.95 0.05 0.00 -1.56 0.00 0.00 34.95 31.14 1xqq s ARG 42 CO 0.44 0.48 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.85 1xqq s LEU 43 N -1.70 2.04 -0.21 -0.88 1.43 -1.26 -1.51 118.68 116.59 1xqq s LEU 43 Ca 0.13 -0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 52.17 1xqq s LEU 43 Cb -0.10 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 1xqq s LEU 43 CO 0.04 -0.21 0.34 -0.63 0.23 0.00 0.00 176.35 176.12 1xqq s ILE 44 N 1.53 5.24 -0.13 -0.59 1.01 -0.39 -4.57 121.20 123.30 1xqq s ILE 44 Ca -0.02 0.58 -0.12 0.00 0.00 0.00 0.00 60.65 61.09 1xqq s ILE 44 Cb -0.17 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1xqq s ILE 44 CO -0.07 0.28 -0.24 0.33 0.00 0.00 0.00 174.94 175.24 1xqq n PHE 45 N 4.40 0.14 0.00 3.97 7.35 -1.26 -0.87 117.46 131.19 1xqq n PHE 45 Ca -0.10 0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 1xqq n PHE 45 Cb 0.51 -0.43 0.00 0.00 0.35 0.00 0.00 39.48 39.92 1xqq n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xqq n ALA 46 N -3.84 0.00 0.01 3.13 0.00 -1.26 -4.89 120.51 113.66 1xqq n ALA 46 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.41 1xqq n ALA 46 Cb 0.35 0.00 0.14 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 1.89 3.29 0.00 0.00 -1.26 -4.87 105.19 104.24 1xqq n GLY 47 Ca 0.00 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.03 3.15 0.11 1.61 2.20 -1.26 -5.10 119.74 119.42 1xqq s LYS 48 Ca 0.24 -0.78 -0.31 0.00 -0.36 0.00 0.00 55.97 54.76 1xqq s LYS 48 Cb 0.13 -3.09 -0.08 0.00 -1.51 0.00 0.00 37.83 33.28 1xqq s LYS 48 CO 0.18 -0.32 1.42 -1.14 -0.36 0.00 0.00 175.35 175.13 1xqq s GLN 49 N 1.44 4.30 0.54 4.03 0.74 -1.26 -4.73 119.66 124.72 1xqq s GLN 49 Ca 0.03 2.10 -0.17 0.00 0.05 0.00 0.00 55.36 57.37 1xqq s GLN 49 Cb -0.16 -3.29 -0.06 0.00 1.10 0.00 0.00 33.01 30.60 1xqq s GLN 49 CO -0.02 -0.48 1.03 -0.51 -0.55 0.00 0.00 175.29 174.75 1xqq s LEU 50 N 1.30 3.64 0.07 3.68 1.43 -1.26 -5.07 118.68 122.47 1xqq s LEU 50 Ca 0.65 1.76 0.01 0.00 -1.03 0.00 0.00 54.13 55.53 1xqq s LEU 50 Cb -0.37 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.28 1xqq s LEU 50 CO 0.30 -0.87 0.18 -1.61 0.23 0.00 0.00 176.35 174.58 1xqq s GLU 51 N -3.83 3.27 0.11 1.70 2.02 -1.26 -5.05 118.70 115.66 1xqq s GLU 51 Ca 0.63 -0.53 -0.16 0.00 0.02 0.00 0.00 54.97 54.93 1xqq s GLU 51 Cb -0.14 -2.94 -0.05 0.00 0.10 0.00 0.00 34.13 31.10 1xqq s GLU 51 CO 0.30 0.59 1.52 -0.44 0.02 0.00 0.00 175.26 177.25 1xqq h ASP 52 N 3.07 0.63 -1.42 -0.19 3.32 -1.97 -3.30 116.42 116.56 1xqq h ASP 52 Ca -0.46 -0.35 -0.62 0.00 0.02 0.00 0.00 57.03 55.62 1xqq h ASP 52 Cb 1.16 -0.17 -0.23 0.00 0.22 0.00 0.00 39.33 40.31 1xqq h ASP 52 CO 0.72 0.83 0.75 0.61 -1.72 0.00 0.00 179.24 180.43 1xqq n GLY 53 N -0.23 5.02 3.36 2.75 0.00 -1.26 -1.65 105.19 113.18 1xqq n GLY 53 Ca -0.02 -2.13 -0.19 0.00 0.00 0.00 0.00 46.02 43.68 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 -3.00 1.37 0.58 1.61 1.81 -1.24 -4.99 118.95 115.09 1xqq s ARG 54 Ca 0.54 -1.65 -0.01 0.00 -1.72 0.00 0.00 55.73 52.90 1xqq s ARG 54 Cb 0.41 -1.02 0.04 0.00 -0.45 0.00 0.00 34.95 33.93 1xqq s ARG 54 CO -0.27 0.09 0.83 0.95 -0.68 0.00 0.00 175.30 176.23 1xqq s THR 55 N -3.08 2.70 0.41 0.02 -4.23 -1.26 0.21 115.64 110.41 1xqq s THR 55 Ca 0.25 -0.53 0.09 0.00 -1.18 0.00 0.00 61.69 60.31 1xqq s THR 55 Cb 0.02 -3.05 0.29 0.00 1.34 0.00 0.00 72.50 71.09 1xqq s THR 55 CO 0.08 -0.04 2.02 -0.07 -0.54 0.00 0.00 174.62 176.07 1xqq h LEU 56 N -0.08 0.47 -1.05 4.79 3.38 -1.50 -2.88 115.31 118.44 1xqq h LEU 56 Ca -0.43 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 1xqq h LEU 56 Cb 1.30 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1xqq h LEU 56 CO 0.55 0.32 -0.13 -1.28 0.09 0.00 0.00 178.44 177.99 1xqq h SER 57 N 0.55 0.50 -0.73 -0.43 0.87 -1.64 0.10 113.55 112.78 1xqq h SER 57 Ca 0.21 -0.14 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1xqq h SER 57 Cb 0.14 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 61.91 1xqq h SER 57 CO -0.05 0.67 0.42 0.44 -0.53 0.00 0.00 176.83 177.77 1xqq h ASP 58 N 0.48 0.63 -0.50 6.23 3.32 -1.82 -2.34 116.42 122.41 1xqq h ASP 58 Ca 0.09 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1xqq h ASP 58 Cb 0.52 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1xqq h ASP 58 CO 0.03 0.40 0.00 -1.22 -1.72 0.00 0.00 179.24 176.73 1xqq n TYR 59 N -4.75 0.67 -3.24 4.55 4.02 -1.17 -4.94 117.16 112.30 1xqq n TYR 59 Ca 0.10 -0.33 -0.16 0.00 -0.01 0.00 0.00 57.90 57.49 1xqq n TYR 59 Cb 0.19 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.57 1xqq n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1xqq n ASN 60 N 1.11 -4.71 -4.80 7.72 4.13 -0.88 -5.02 115.26 112.80 1xqq n ASN 60 Ca 0.19 -0.38 -0.38 0.00 1.68 0.00 0.00 54.58 55.68 1xqq n ASN 60 Cb 0.48 -3.69 -0.06 0.00 -1.54 0.00 0.00 39.78 34.97 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 -3.23 4.92 0.32 2.41 1.01 0.33 -5.02 121.20 121.95 1xqq s ILE 61 Ca 0.36 1.05 0.03 0.00 0.00 0.00 0.00 60.65 62.08 1xqq s ILE 61 Cb -0.16 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 1xqq s ILE 61 CO 0.51 0.52 0.09 0.00 0.00 0.00 0.00 174.94 176.06 1xqq n GLN 62 N 2.13 0.73 -1.78 2.79 1.13 -1.26 -4.46 117.38 116.65 1xqq n GLN 62 Ca -0.11 -2.67 -0.37 0.00 -1.94 0.00 0.00 57.00 51.92 1xqq n GLN 62 Cb 0.51 1.33 0.06 0.00 0.11 0.00 0.00 30.24 32.26 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1xqq s LYS 63 N -3.22 2.67 -0.77 -1.09 -2.85 -1.26 -3.36 119.74 109.86 1xqq s LYS 63 Ca 0.13 2.06 0.00 0.00 -1.00 0.00 0.00 55.97 57.16 1xqq s LYS 63 Cb 0.01 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.88 1xqq s LYS 63 CO 0.09 -1.50 0.00 0.39 0.10 0.00 0.00 175.35 174.43 1xqq n GLU 64 N -1.77 -2.14 -3.51 1.78 1.02 0.56 -4.98 120.64 111.60 1xqq n GLU 64 Ca 0.15 0.44 -0.35 0.00 -0.02 0.00 0.00 57.16 57.38 1xqq n GLU 64 Cb 0.48 -4.90 -0.06 0.00 -0.02 0.00 0.00 31.44 26.94 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 -1.95 6.70 -0.27 1.62 0.01 -1.21 -4.80 113.70 113.80 1xqq s SER 65 Ca 0.00 0.88 -0.11 0.00 1.31 0.00 0.00 55.95 58.03 1xqq s SER 65 Cb 0.00 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 1xqq s SER 65 CO 0.00 0.16 0.19 -0.89 0.41 0.00 0.00 173.24 173.10 1xqq s THR 66 N -1.41 5.32 -0.12 1.44 2.01 -1.26 0.01 115.64 121.63 1xqq s THR 66 Ca 0.34 0.18 -0.05 0.00 0.31 0.00 0.00 61.69 62.47 1xqq s THR 66 Cb -0.14 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1xqq s THR 66 CO 0.18 0.27 0.07 -0.76 -0.69 0.00 0.00 174.62 173.69 1xqq s LEU 67 N 1.63 3.95 -0.36 4.42 1.43 0.24 -4.75 118.68 125.23 1xqq s LEU 67 Ca 0.07 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.25 1xqq s LEU 67 Cb -0.16 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 1xqq s LEU 67 CO 0.10 0.35 0.52 -2.28 0.23 0.00 0.00 176.35 175.27 1xqq s HIS 68 N -0.68 3.17 -0.35 0.29 5.65 -0.05 -1.21 115.29 122.11 1xqq s HIS 68 Ca 0.12 0.15 -0.26 0.00 0.25 0.00 0.00 55.06 55.31 1xqq s HIS 68 Cb -0.12 -2.95 0.01 0.00 -1.18 0.00 0.00 32.58 28.34 1xqq s HIS 68 CO 0.02 -0.57 0.94 -1.17 -0.65 0.00 0.00 174.74 173.32 1xqq s LEU 69 N 2.42 3.99 0.00 8.88 2.96 -0.49 -1.26 118.68 135.17 1xqq s LEU 69 Ca 0.19 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 1xqq s LEU 69 Cb -0.15 -3.31 0.00 0.00 0.50 0.00 0.00 46.19 43.23 1xqq s LEU 69 CO 0.14 -0.83 0.01 1.33 -1.32 0.00 0.00 176.35 175.67 1xqq n VAL 70 N 5.90 0.00 -3.54 1.68 0.24 -0.57 -3.70 118.33 118.34 1xqq n VAL 70 Ca 0.08 -1.26 -0.28 0.00 -2.04 0.00 0.00 64.34 60.84 1xqq n VAL 70 Cb 0.48 0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 33.05 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xqq s LEU 71 N 0.00 4.16 -0.08 1.34 1.43 -1.26 -0.63 118.68 123.64 1xqq s LEU 71 Ca 0.01 0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 53.44 1xqq s LEU 71 Cb -0.00 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1xqq s LEU 71 CO 0.00 -0.10 0.63 -0.60 0.23 0.00 0.00 176.35 176.52 1xqq s ARG 72 N -3.35 4.40 -0.47 1.70 3.52 0.12 -4.51 118.95 120.36 1xqq s ARG 72 Ca 0.41 0.75 -0.24 0.00 -0.13 0.00 0.00 55.73 56.51 1xqq s ARG 72 Cb -0.11 -3.44 0.03 0.00 -1.56 0.00 0.00 34.95 29.87 1xqq s ARG 72 CO 0.29 0.12 0.87 -1.17 -0.81 0.00 0.00 175.30 174.60 1xqq s LEU 73 N 0.67 4.12 0.20 -0.88 2.96 -1.26 -4.87 118.68 119.62 1xqq s LEU 73 Ca 0.34 -0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 54.13 1xqq s LEU 73 Cb -0.17 -3.05 -0.06 0.00 0.50 0.00 0.00 46.19 43.40 1xqq s LEU 73 CO 0.16 -1.03 0.49 -0.13 -1.32 0.00 0.00 176.35 174.52 1xqq s ARG 74 N 3.61 3.72 0.00 1.98 0.52 -1.26 -4.92 118.95 122.59 1xqq s ARG 74 Ca 0.33 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.66 1xqq s ARG 74 Cb -0.11 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.64 1xqq s ARG 74 CO 0.24 0.36 0.00 0.41 0.02 0.00 0.00 175.30 176.33 1xqq n GLY 75 N -0.13 1.63 1.00 -3.53 0.00 -1.26 -5.26 105.19 97.64 1xqq n GLY 75 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93