#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 4.15 0.37 3.17 0.74 -1.26 -0.74 119.66 126.09 1xqq s GLN 2 Ca 0.00 0.28 0.08 0.00 0.05 0.00 0.00 55.36 55.77 1xqq s GLN 2 Cb 0.00 -3.57 -0.06 0.00 1.10 0.00 0.00 33.01 30.48 1xqq s GLN 2 CO 0.00 -0.14 0.01 0.96 -0.55 0.00 0.00 175.29 175.57 1xqq s ILE 3 N 1.63 2.33 -0.35 -2.34 -4.36 -0.11 0.08 121.20 118.08 1xqq s ILE 3 Ca 0.21 -1.99 0.02 0.00 -0.26 0.00 0.00 60.65 58.63 1xqq s ILE 3 Cb -0.15 -2.84 0.10 0.00 1.25 0.00 0.00 42.46 40.81 1xqq s ILE 3 CO 0.09 -0.12 0.08 -0.36 0.24 0.00 0.00 174.94 174.87 1xqq s PHE 4 N -2.60 3.67 -0.44 1.37 0.08 -0.87 -2.51 117.98 116.68 1xqq s PHE 4 Ca 0.35 -2.76 -0.13 0.00 0.12 0.00 0.00 56.93 54.51 1xqq s PHE 4 Cb 0.04 -2.93 0.07 0.00 -0.57 0.00 0.00 43.02 39.63 1xqq s PHE 4 CO 0.19 -0.95 0.33 0.08 -0.10 0.00 0.00 175.22 174.77 1xqq s VAL 5 N 0.99 4.87 -0.17 -0.44 1.01 -0.30 -2.46 120.40 123.90 1xqq s VAL 5 Ca 0.08 -1.12 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 1xqq s VAL 5 Cb -0.20 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1xqq s VAL 5 CO -0.07 -0.51 0.16 -0.54 0.00 0.00 0.00 175.10 174.14 1xqq s LYS 6 N 1.57 4.01 0.50 2.72 1.02 -0.48 -1.41 119.74 127.67 1xqq s LYS 6 Ca 0.04 -0.15 0.06 0.00 0.02 0.00 0.00 55.97 55.93 1xqq s LYS 6 Cb -0.23 -3.36 0.09 0.00 -0.52 0.00 0.00 37.83 33.81 1xqq s LYS 6 CO 0.05 0.42 0.69 0.25 -0.92 0.00 0.00 175.35 175.85 1xqq n THR 7 N 3.11 0.00 0.06 2.17 -2.24 -0.82 -0.03 114.28 116.52 1xqq n THR 7 Ca -0.16 -1.50 -0.13 0.00 -2.27 0.00 0.00 64.05 59.98 1xqq n THR 7 Cb 0.53 -0.70 -0.14 0.00 -2.10 0.00 0.00 70.33 67.92 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 0.25 0.00 3.22 3.38 -1.89 -3.40 115.31 116.87 1xqq h LEU 8 Ca -0.23 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1xqq h LEU 8 Cb 1.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1xqq h LEU 8 CO 0.31 1.27 -0.14 0.71 0.09 0.00 0.00 178.44 180.68 1xqq h THR 9 N 0.04 0.00 0.00 0.22 1.35 -1.97 -3.48 112.91 109.07 1xqq h THR 9 Ca -0.18 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1xqq h THR 9 Cb 1.95 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1xqq h THR 9 CO 0.15 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 1xqq n GLY 10 N 1.74 0.00 2.75 5.82 0.00 -1.26 -5.11 105.19 109.13 1xqq n GLY 10 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 0.52 -0.49 1.61 2.20 -1.26 -5.04 119.74 117.27 1xqq s LYS 11 Ca 0.00 0.11 -0.20 0.00 -0.36 0.00 0.00 55.97 55.52 1xqq s LYS 11 Cb 0.00 -0.99 0.04 0.00 -1.51 0.00 0.00 37.83 35.38 1xqq s LYS 11 CO 0.00 -0.33 0.68 0.99 -0.36 0.00 0.00 175.35 176.33 1xqq s THR 12 N 1.99 4.78 -0.35 3.43 2.01 -1.26 -1.94 115.64 124.30 1xqq s THR 12 Ca 0.05 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.64 1xqq s THR 12 Cb -0.12 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.08 1xqq s THR 12 CO -0.05 -0.80 0.73 -0.63 -0.69 0.00 0.00 174.62 173.19 1xqq s ILE 13 N 2.90 4.79 -0.20 1.82 1.01 -0.50 -4.93 121.20 126.09 1xqq s ILE 13 Ca 0.20 0.83 -0.16 0.00 0.00 0.00 0.00 60.65 61.51 1xqq s ILE 13 Cb -0.17 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1xqq s ILE 13 CO 0.15 -0.37 0.41 -0.89 0.00 0.00 0.00 174.94 174.24 1xqq s THR 14 N 2.95 5.19 -0.19 2.92 2.01 -1.26 -1.15 115.64 126.10 1xqq s THR 14 Ca 0.29 0.72 -0.15 0.00 0.31 0.00 0.00 61.69 62.87 1xqq s THR 14 Cb -0.14 -3.74 0.06 0.00 0.01 0.00 0.00 72.50 68.69 1xqq s THR 14 CO 0.16 0.25 0.49 -0.22 -0.69 0.00 0.00 174.62 174.60 1xqq s LEU 15 N 1.34 -0.07 -0.71 4.42 2.96 -1.04 -5.02 118.68 120.55 1xqq s LEU 15 Ca 0.19 1.03 -0.20 0.00 -0.22 0.00 0.00 54.13 54.93 1xqq s LEU 15 Cb -0.15 1.67 0.10 0.00 0.50 0.00 0.00 46.19 48.31 1xqq s LEU 15 CO 0.08 -0.19 0.91 -0.70 -1.32 0.00 0.00 176.35 175.14 1xqq s GLU 16 N 0.76 3.22 0.12 1.98 2.12 -1.26 -0.93 118.70 124.70 1xqq s GLU 16 Ca -0.04 -1.26 0.08 0.00 0.36 0.00 0.00 54.97 54.11 1xqq s GLU 16 Cb -0.05 -4.41 -0.04 0.00 0.26 0.00 0.00 34.13 29.89 1xqq s GLU 16 CO -0.06 -1.70 -0.11 0.14 -0.54 0.00 0.00 175.26 172.99 1xqq s VAL 17 N 3.18 3.25 0.35 3.70 -7.23 0.08 -4.92 120.40 118.81 1xqq s VAL 17 Ca 0.21 -1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 58.90 1xqq s VAL 17 Cb -0.16 -2.53 -0.07 0.00 0.56 0.00 0.00 36.38 34.18 1xqq s VAL 17 CO 0.04 0.08 0.72 -1.61 -0.31 0.00 0.00 175.10 174.01 1xqq s GLU 18 N -2.28 3.84 0.44 4.82 0.41 -1.26 -0.06 118.70 124.61 1xqq s GLU 18 Ca 0.21 0.47 0.24 0.00 -0.41 0.00 0.00 54.97 55.49 1xqq s GLU 18 Cb -0.11 -2.45 0.91 0.00 -1.78 0.00 0.00 34.13 30.70 1xqq s GLU 18 CO 0.13 0.08 1.82 -1.35 -0.49 0.00 0.00 175.26 175.45 1xqq h PRO 19 N 1.74 0.00 -0.01 0.39 0.11 -1.93 -1.97 132.00 130.32 1xqq h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xqq h PRO 19 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xqq h PRO 19 CO 0.65 0.21 0.00 0.43 -0.21 0.00 0.00 178.00 179.08 1xqq n SER 20 N -3.35 0.23 -4.78 -2.05 7.64 -1.26 -2.86 113.62 107.19 1xqq n SER 20 Ca 0.00 -1.28 -0.35 0.00 1.01 0.00 0.00 58.87 58.25 1xqq n SER 20 Cb 0.43 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 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 -1.77 6.17 0.78 6.43 1.01 -0.74 -4.91 116.67 123.64 1xqq s ASP 21 Ca 0.37 2.12 -0.09 0.00 0.71 0.00 0.00 52.55 55.66 1xqq s ASP 21 Cb 0.17 -2.58 0.11 0.00 1.01 0.00 0.00 42.92 41.63 1xqq s ASP 21 CO 0.29 -0.91 1.11 0.42 0.21 0.00 0.00 175.17 176.29 1xqq s THR 22 N -1.76 2.15 0.47 -1.27 -4.23 -1.26 -2.58 115.64 107.16 1xqq s THR 22 Ca 0.67 -0.23 0.33 0.00 -1.18 0.00 0.00 61.69 61.28 1xqq s THR 22 Cb -0.23 -2.93 0.35 0.00 1.34 0.00 0.00 72.50 71.04 1xqq s THR 22 CO 0.27 0.00 2.17 0.40 -0.54 0.00 0.00 174.62 176.92 1xqq h ILE 23 N -0.90 0.36 0.20 2.99 1.08 -1.12 -0.40 117.51 119.71 1xqq h ILE 23 Ca -0.43 -0.30 -0.32 0.00 -0.39 0.00 0.00 64.86 63.42 1xqq h ILE 23 Cb 1.29 1.22 0.02 0.00 -3.07 0.00 0.00 36.82 36.28 1xqq h ILE 23 CO 0.52 0.05 -1.44 -0.08 -0.69 0.00 0.00 178.15 176.52 1xqq h GLU 24 N 0.00 0.42 -0.07 2.37 4.81 -1.73 -2.87 114.58 117.51 1xqq h GLU 24 Ca -0.00 -0.71 -0.19 0.00 -0.13 0.00 0.00 59.36 58.33 1xqq h GLU 24 Cb 0.21 0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1xqq h GLU 24 CO 0.01 1.33 -0.75 -0.91 -0.73 0.00 0.00 179.01 177.96 1xqq h ASN 25 N 0.11 0.49 -0.41 1.04 -0.26 -1.69 -1.32 115.58 113.54 1xqq h ASN 25 Ca -0.22 -0.33 0.05 0.00 -0.56 0.00 0.00 56.30 55.24 1xqq h ASN 25 Cb 2.09 -0.15 -0.08 0.00 -1.06 0.00 0.00 38.32 39.12 1xqq h ASN 25 CO 0.24 1.07 -0.56 0.58 -1.06 0.00 0.00 177.43 177.70 1xqq h VAL 26 N 0.27 0.00 -0.05 2.81 2.07 -1.18 0.73 116.25 120.90 1xqq h VAL 26 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1xqq h VAL 26 Cb 1.33 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1xqq h VAL 26 CO 0.13 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.83 1xqq h LYS 27 N -0.40 0.07 -0.76 1.57 1.57 -1.36 0.42 116.57 117.67 1xqq h LYS 27 Ca 0.07 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1xqq h LYS 27 Cb 0.60 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1xqq h LYS 27 CO -0.60 0.08 0.49 0.00 -0.57 0.00 0.00 179.45 178.85 1xqq h ALA 28 N 1.93 1.00 -0.02 3.86 0.00 -0.65 -0.10 119.26 125.29 1xqq h ALA 28 Ca 0.02 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1xqq h ALA 28 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1xqq h ALA 28 CO 0.00 0.29 -0.91 -0.22 0.00 0.00 0.00 179.25 178.41 1xqq h LYS 29 N 0.95 0.43 -0.59 0.00 3.64 0.42 -0.88 116.57 120.55 1xqq h LYS 29 Ca 0.31 -0.45 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 1xqq h LYS 29 Cb 0.01 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1xqq h LYS 29 CO -0.11 1.10 0.14 0.82 -2.27 0.00 0.00 179.45 179.14 1xqq h ILE 30 N 0.25 1.25 -0.08 2.00 2.04 -0.94 -2.50 117.51 119.53 1xqq h ILE 30 Ca -0.07 -0.90 0.04 0.00 1.00 0.00 0.00 64.86 64.93 1xqq h ILE 30 Cb 1.54 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 1xqq h ILE 30 CO 0.16 0.33 -0.45 -0.61 0.00 0.00 0.00 178.15 177.58 1xqq h GLN 31 N 0.84 -0.53 -0.19 2.37 4.15 -0.83 -2.01 115.11 118.92 1xqq h GLN 31 Ca 0.18 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.67 1xqq h GLN 31 Cb 0.35 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 1xqq h GLN 31 CO 0.00 -0.35 -0.50 0.22 -1.93 0.00 0.00 178.83 176.27 1xqq h ASP 32 N -0.55 -1.60 0.61 -0.69 3.58 -1.25 0.06 116.42 116.58 1xqq h ASP 32 Ca 0.06 0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.67 1xqq h ASP 32 Cb 0.66 0.63 0.01 0.00 1.72 0.00 0.00 39.33 42.35 1xqq h ASP 32 CO -0.38 -0.42 -0.29 0.50 -2.88 0.00 0.00 179.24 175.77 1xqq h LYS 33 N -0.48 -0.79 0.02 0.28 3.64 -1.32 -3.37 116.57 114.56 1xqq h LYS 33 Ca 0.04 0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 1xqq h LYS 33 Cb 0.60 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1xqq h LYS 33 CO -0.44 -0.48 -0.64 0.93 -2.27 0.00 0.00 179.45 176.55 1xqq h GLU 34 N -1.11 0.05 0.00 1.90 4.39 -1.52 -3.50 114.58 114.80 1xqq h GLU 34 Ca -0.08 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1xqq h GLU 34 Cb 0.68 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1xqq h GLU 34 CO 0.14 1.04 0.00 0.41 -1.16 0.00 0.00 179.01 179.44 1xqq n GLY 35 N 1.57 1.11 3.71 -3.84 0.00 0.00 -5.06 105.19 102.69 1xqq n GLY 35 Ca -0.19 0.00 -0.40 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 -1.69 5.01 0.53 -0.61 1.01 -1.21 -4.98 121.20 119.26 1xqq s ILE 36 Ca 0.00 1.51 -0.17 0.00 0.00 0.00 0.00 60.65 61.99 1xqq s ILE 36 Cb 0.00 -4.07 -0.07 0.00 0.01 0.00 0.00 42.46 38.33 1xqq s ILE 36 CO 0.00 0.21 1.01 -2.84 0.00 0.00 0.00 174.94 173.32 1xqq s PRO 37 N 1.03 3.76 0.45 2.79 0.02 -1.26 -4.19 135.00 137.60 1xqq s PRO 37 Ca 0.39 1.08 0.24 0.00 0.02 0.00 0.00 61.00 62.72 1xqq s PRO 37 Cb -0.18 -2.10 0.99 0.00 0.02 0.00 0.00 34.50 33.22 1xqq s PRO 37 CO 0.18 -0.43 1.86 -1.00 -0.33 0.00 0.00 177.00 177.27 1xqq h PRO 38 N 0.89 0.00 -0.00 5.54 0.13 -1.93 -0.94 132.00 135.69 1xqq h PRO 38 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xqq h PRO 38 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xqq h PRO 38 CO 0.60 0.22 -0.02 -0.40 -0.23 0.00 0.00 178.00 178.17 1xqq n ASP 39 N -3.43 0.05 -0.04 1.44 5.75 -1.26 -3.32 116.55 115.74 1xqq n ASP 39 Ca -0.00 -0.04 -0.17 0.00 -0.01 0.00 0.00 54.79 54.57 1xqq n ASP 39 Cb 0.41 -0.30 -0.14 0.00 -1.03 0.00 0.00 41.12 40.06 1xqq n ASP 39 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1xqq n GLN 40 N -1.31 0.70 -2.40 0.11 7.27 -0.38 -4.19 117.38 117.18 1xqq n GLN 40 Ca 0.12 0.22 -0.38 0.00 0.07 0.00 0.00 57.00 57.03 1xqq n GLN 40 Cb 0.27 -1.67 -0.03 0.00 2.41 0.00 0.00 30.24 31.23 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1xqq s GLN 41 N -2.55 4.10 -0.28 3.69 -0.21 -1.08 -0.74 119.66 122.60 1xqq s GLN 41 Ca -0.20 1.70 -0.21 0.00 0.02 0.00 0.00 55.36 56.67 1xqq s GLN 41 Cb 0.07 -2.63 0.08 0.00 1.00 0.00 0.00 33.01 31.53 1xqq s GLN 41 CO 0.75 -0.24 0.73 0.50 -2.12 0.00 0.00 175.29 174.91 1xqq s ARG 42 N -2.36 0.75 -0.22 2.91 3.52 -1.00 -4.92 118.95 117.63 1xqq s ARG 42 Ca 0.57 1.06 -0.00 0.00 -0.13 0.00 0.00 55.73 57.24 1xqq s ARG 42 Cb -0.27 0.28 0.03 0.00 -1.56 0.00 0.00 34.95 33.42 1xqq s ARG 42 CO 0.34 -0.12 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.08 1xqq s LEU 43 N 0.94 2.82 -0.12 -0.88 1.43 -1.26 -0.87 118.68 120.75 1xqq s LEU 43 Ca -0.04 -0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 52.20 1xqq s LEU 43 Cb -0.05 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 1xqq s LEU 43 CO -0.09 -0.08 -0.07 -0.63 0.23 0.00 0.00 176.35 175.71 1xqq s ILE 44 N 1.29 3.66 -0.20 -0.59 1.01 -0.48 -0.85 121.20 125.05 1xqq s ILE 44 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1xqq s ILE 44 Cb -0.16 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.78 1xqq s ILE 44 CO -0.08 0.54 -0.16 0.12 0.00 0.00 0.00 174.94 175.36 1xqq s PHE 45 N -0.06 2.86 0.00 3.97 5.36 -0.87 -2.05 117.98 127.20 1xqq s PHE 45 Ca 0.00 -1.58 0.00 0.00 -0.96 0.00 0.00 56.93 54.40 1xqq s PHE 45 Cb -0.13 -1.96 0.00 0.00 -0.34 0.00 0.00 43.02 40.59 1xqq s PHE 45 CO 0.03 -0.77 0.00 0.00 -1.46 0.00 0.00 175.22 173.02 1xqq n ALA 46 N 4.64 0.00 -1.50 11.12 0.00 -1.26 -3.15 120.51 130.36 1xqq n ALA 46 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1xqq n ALA 46 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.58 3.34 0.00 0.00 -1.26 -5.12 105.19 101.57 1xqq n GLY 47 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.95 0.58 1.61 -2.85 -1.19 -5.15 119.74 113.69 1xqq s LYS 48 Ca 0.00 -0.35 -0.19 0.00 -1.00 0.00 0.00 55.97 54.43 1xqq s LYS 48 Cb 0.00 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 1xqq s LYS 48 CO 0.00 -0.33 1.18 1.14 0.10 0.00 0.00 175.35 177.44 1xqq s GLN 49 N -2.51 3.10 -0.10 1.78 -2.07 -1.26 -2.05 119.66 116.55 1xqq s GLN 49 Ca -0.05 1.75 0.00 0.00 -1.82 0.00 0.00 55.36 55.25 1xqq s GLN 49 Cb -0.01 -1.95 -0.02 0.00 -1.09 0.00 0.00 33.01 29.94 1xqq s GLN 49 CO -0.03 -1.09 -0.11 -0.51 -1.32 0.00 0.00 175.29 172.24 1xqq s LEU 50 N -3.98 2.89 -0.17 2.60 1.43 -0.03 -4.88 118.68 116.55 1xqq s LEU 50 Ca 0.76 -0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 1xqq s LEU 50 Cb -0.28 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1xqq s LEU 50 CO 0.31 0.25 0.23 -1.61 0.23 0.00 0.00 176.35 175.76 1xqq s GLU 51 N -0.15 4.19 0.24 1.70 2.02 -1.26 -4.71 118.70 120.74 1xqq s GLU 51 Ca 0.00 -0.01 0.09 0.00 0.02 0.00 0.00 54.97 55.07 1xqq s GLU 51 Cb -0.13 -3.41 0.77 0.00 0.10 0.00 0.00 34.13 31.46 1xqq s GLU 51 CO 0.03 0.29 1.12 -0.25 0.02 0.00 0.00 175.26 176.47 1xqq n ASP 52 N 3.46 0.10 0.10 -0.19 9.92 -1.26 -2.62 116.55 126.06 1xqq n ASP 52 Ca -0.14 1.19 0.12 0.00 -0.53 0.00 0.00 54.79 55.44 1xqq n ASP 52 Cb 0.52 -0.51 0.26 0.00 -0.64 0.00 0.00 41.12 40.74 1xqq n ASP 52 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1xqq h GLY 53 N 0.00 0.00 -3.53 0.44 0.00 -1.95 -2.55 103.07 95.47 1xqq h GLY 53 Ca 0.53 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.33 1xqq h GLY 53 CO -0.60 0.00 0.02 0.50 0.00 0.00 0.00 176.54 176.46 1xqq s ARG 54 N -3.16 4.03 0.66 4.80 1.81 -1.08 -4.92 118.95 121.09 1xqq s ARG 54 Ca 0.08 0.61 -0.10 0.00 -1.72 0.00 0.00 55.73 54.60 1xqq s ARG 54 Cb 0.12 -2.72 0.00 0.00 -0.45 0.00 0.00 34.95 31.90 1xqq s ARG 54 CO 0.67 0.33 1.03 0.95 -0.68 0.00 0.00 175.30 177.59 1xqq s THR 55 N -1.70 3.76 0.31 0.02 -4.23 -1.26 -1.18 115.64 111.35 1xqq s THR 55 Ca 0.46 0.40 -0.01 0.00 -1.18 0.00 0.00 61.69 61.36 1xqq s THR 55 Cb -0.13 -3.54 0.23 0.00 1.34 0.00 0.00 72.50 70.39 1xqq s THR 55 CO 0.19 -0.67 1.93 -0.07 -0.54 0.00 0.00 174.62 175.47 1xqq h LEU 56 N -0.45 0.83 -0.82 4.79 3.38 -1.35 -2.93 115.31 118.76 1xqq h LEU 56 Ca -0.45 -0.06 0.20 0.00 0.09 0.00 0.00 57.88 57.66 1xqq h LEU 56 Cb 1.24 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 1xqq h LEU 56 CO 0.63 0.67 0.11 0.28 0.09 0.00 0.00 178.44 180.22 1xqq h SER 57 N 0.94 -0.19 0.00 -0.43 0.02 -1.75 -0.39 113.55 111.75 1xqq h SER 57 Ca 0.24 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1xqq h SER 57 Cb 0.02 0.31 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1xqq h SER 57 CO -0.04 -0.17 0.14 0.47 -1.14 0.00 0.00 176.83 176.09 1xqq n ASP 58 N -5.29 0.34 0.00 3.07 8.00 -1.11 -2.46 116.55 119.10 1xqq n ASP 58 Ca 0.17 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.27 1xqq n ASP 58 Cb 0.58 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1xqq n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1xqq n TYR 59 N -1.96 0.00 -2.43 1.24 4.01 -0.27 -4.98 117.16 112.76 1xqq n TYR 59 Ca -0.01 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.67 1xqq n TYR 59 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.20 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 -0.73 -2.74 -4.56 7.72 4.13 -0.78 -5.00 115.26 113.30 1xqq n ASN 60 Ca 0.00 -0.07 -0.43 0.00 1.68 0.00 0.00 54.58 55.76 1xqq n ASN 60 Cb 0.00 -1.72 -0.03 0.00 -1.54 0.00 0.00 39.78 36.49 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 -2.66 4.19 0.41 2.41 1.01 -0.53 -4.99 121.20 121.03 1xqq s ILE 61 Ca 0.07 0.68 -0.00 0.00 0.00 0.00 0.00 60.65 61.40 1xqq s ILE 61 Cb -0.03 -4.64 0.08 0.00 0.01 0.00 0.00 42.46 37.88 1xqq s ILE 61 CO 0.09 -1.22 0.56 0.00 0.00 0.00 0.00 174.94 174.38 1xqq n GLN 62 N 7.99 0.18 -1.38 2.79 10.64 -1.26 -4.48 117.38 131.85 1xqq n GLN 62 Ca 0.06 -1.50 -0.35 0.00 -1.83 0.00 0.00 57.00 53.38 1xqq n GLN 62 Cb 0.48 -0.38 0.10 0.00 -0.86 0.00 0.00 30.24 29.58 1xqq n GLN 62 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1xqq n LYS 63 N -2.04 0.58 -0.77 2.61 2.85 -1.26 -3.60 118.16 116.52 1xqq n LYS 63 Ca 0.09 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.61 1xqq n LYS 63 Cb 0.33 -2.39 0.00 0.00 -0.65 0.00 0.00 35.03 32.32 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xqq n GLU 64 N -2.35 0.00 -1.85 -1.58 1.02 0.11 -5.00 120.64 111.00 1xqq n GLU 64 Ca 0.14 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.88 1xqq n GLU 64 Cb 0.49 -2.93 0.01 0.00 -0.02 0.00 0.00 31.44 28.99 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 -2.82 6.09 -0.42 1.62 0.01 -1.24 -4.57 113.70 112.37 1xqq s SER 65 Ca 0.00 2.91 -0.16 0.00 1.31 0.00 0.00 55.95 60.01 1xqq s SER 65 Cb 0.00 -2.66 0.02 0.00 0.21 0.00 0.00 66.02 63.60 1xqq s SER 65 CO 0.00 -1.03 0.36 -0.89 0.41 0.00 0.00 173.24 172.09 1xqq s THR 66 N -1.19 5.19 -0.05 1.44 2.01 -1.26 -2.04 115.64 119.74 1xqq s THR 66 Ca 0.58 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.04 1xqq s THR 66 Cb -0.44 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 1xqq s THR 66 CO 0.57 -0.37 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.31 1xqq s LEU 67 N 1.87 3.21 -0.27 4.42 1.43 -1.03 -4.81 118.68 123.50 1xqq s LEU 67 Ca 0.08 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.05 1xqq s LEU 67 Cb -0.18 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1xqq s LEU 67 CO 0.11 0.34 0.11 -1.00 0.23 0.00 0.00 176.35 176.14 1xqq s HIS 68 N -0.87 3.13 -0.61 0.29 3.76 -0.87 -1.38 115.29 118.74 1xqq s HIS 68 Ca 0.14 -0.40 -0.18 0.00 -0.15 0.00 0.00 55.06 54.47 1xqq s HIS 68 Cb -0.11 -2.29 0.11 0.00 1.11 0.00 0.00 32.58 31.41 1xqq s HIS 68 CO 0.03 -0.36 0.69 -1.17 -0.85 0.00 0.00 174.74 173.09 1xqq s LEU 69 N 1.63 5.56 -0.45 0.89 2.96 0.95 -1.38 118.68 128.84 1xqq s LEU 69 Ca 0.06 -1.56 -0.24 0.00 -0.22 0.00 0.00 54.13 52.17 1xqq s LEU 69 Cb -0.16 -2.29 0.03 0.00 0.50 0.00 0.00 46.19 44.27 1xqq s LEU 69 CO 0.05 -1.06 0.84 -0.69 -1.32 0.00 0.00 176.35 174.18 1xqq s VAL 70 N 2.42 4.58 -0.40 1.68 1.01 -0.05 -3.73 120.40 125.92 1xqq s VAL 70 Ca 0.11 0.57 -0.25 0.00 0.00 0.00 0.00 61.98 62.41 1xqq s VAL 70 Cb -0.24 -4.36 0.02 0.00 0.00 0.00 0.00 36.38 31.80 1xqq s VAL 70 CO 0.05 -0.75 0.91 -0.76 0.00 0.00 0.00 175.10 174.55 1xqq s LEU 71 N 3.46 4.01 0.29 3.92 1.02 -1.26 -2.39 118.68 127.74 1xqq s LEU 71 Ca 0.33 0.40 0.04 0.00 0.02 0.00 0.00 54.13 54.92 1xqq s LEU 71 Cb -0.11 -3.21 -0.06 0.00 0.02 0.00 0.00 46.19 42.82 1xqq s LEU 71 CO 0.24 -0.91 0.03 0.00 0.02 0.00 0.00 176.35 175.74 1xqq s ARG 72 N 3.53 1.55 0.35 1.70 1.04 0.08 -5.03 118.95 122.16 1xqq s ARG 72 Ca 0.37 -1.83 -0.05 0.00 -1.04 0.00 0.00 55.73 53.17 1xqq s ARG 72 Cb -0.11 -0.79 -0.05 0.00 -2.04 0.00 0.00 34.95 31.96 1xqq s ARG 72 CO 0.21 -0.15 0.63 -0.51 -0.04 0.00 0.00 175.30 175.44 1xqq s LEU 73 N -3.42 3.94 -0.49 -1.89 1.43 -1.26 -4.46 118.68 112.53 1xqq s LEU 73 Ca 0.34 0.80 -0.27 0.00 -1.03 0.00 0.00 54.13 53.96 1xqq s LEU 73 Cb 0.07 -3.66 0.03 0.00 0.03 0.00 0.00 46.19 42.67 1xqq s LEU 73 CO 0.13 -0.31 1.06 -0.60 0.23 0.00 0.00 176.35 176.87 1xqq s ARG 74 N -3.89 3.62 0.00 1.70 3.52 -1.26 -4.69 118.95 117.94 1xqq s ARG 74 Ca 0.45 0.35 0.00 0.00 -0.13 0.00 0.00 55.73 56.41 1xqq s ARG 74 Cb -0.10 -3.93 0.00 0.00 -1.56 0.00 0.00 34.95 29.35 1xqq s ARG 74 CO 0.33 -1.36 0.00 0.41 -0.81 0.00 0.00 175.30 173.87 1xqq n GLY 75 N 4.92 -0.71 0.00 8.12 0.00 -1.26 -5.19 105.19 111.06 1xqq n GLY 75 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93