#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 2.68 0.06 3.17 -0.21 -1.26 0.23 119.66 124.34 1xqq s GLN 2 Ca 0.00 -0.91 0.07 0.00 0.02 0.00 0.00 55.36 54.53 1xqq s GLN 2 Cb 0.00 -2.55 -0.03 0.00 1.00 0.00 0.00 33.01 31.43 1xqq s GLN 2 CO 0.00 0.50 -0.18 0.96 -2.12 0.00 0.00 175.29 174.44 1xqq s ILE 3 N -1.62 1.48 -0.13 1.08 -4.36 -0.86 -0.52 121.20 116.27 1xqq s ILE 3 Ca 0.29 -1.26 -0.05 0.00 -0.26 0.00 0.00 60.65 59.36 1xqq s ILE 3 Cb -0.10 -1.33 -0.04 0.00 1.25 0.00 0.00 42.46 42.24 1xqq s ILE 3 CO 0.21 0.03 0.05 -0.36 0.24 0.00 0.00 174.94 175.10 1xqq s PHE 4 N -0.97 3.27 -0.02 1.37 0.08 -0.95 -0.23 117.98 120.53 1xqq s PHE 4 Ca 0.05 0.19 0.05 0.00 0.12 0.00 0.00 56.93 57.33 1xqq s PHE 4 Cb -0.09 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.40 1xqq s PHE 4 CO 0.02 0.38 -0.15 0.08 -0.10 0.00 0.00 175.22 175.46 1xqq s VAL 5 N -0.40 3.01 -0.02 -0.44 1.01 0.37 -0.02 120.40 123.92 1xqq s VAL 5 Ca 0.09 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1xqq s VAL 5 Cb -0.12 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.07 1xqq s VAL 5 CO 0.02 0.50 0.03 -0.75 0.00 0.00 0.00 175.10 174.89 1xqq s LYS 6 N -1.01 -0.04 0.52 2.72 2.20 -0.45 -0.59 119.74 123.09 1xqq s LYS 6 Ca 0.13 0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 55.90 1xqq s LYS 6 Cb -0.11 -0.23 0.10 0.00 -1.51 0.00 0.00 37.83 36.09 1xqq s LYS 6 CO 0.03 -0.15 0.71 0.25 -0.36 0.00 0.00 175.35 175.82 1xqq n THR 7 N 4.08 0.00 -0.03 3.43 -2.24 -1.14 -0.46 114.28 117.92 1xqq n THR 7 Ca -0.26 -1.05 -0.12 0.00 -2.27 0.00 0.00 64.05 60.35 1xqq n THR 7 Cb 0.51 -1.10 -0.06 0.00 -2.10 0.00 0.00 70.33 67.58 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 0.17 0.01 3.22 5.85 -1.93 -3.38 115.31 119.25 1xqq h LEU 8 Ca -0.23 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1xqq h LEU 8 Cb 0.84 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1xqq h LEU 8 CO 0.24 0.38 -0.00 0.71 -0.34 0.00 0.00 178.44 179.43 1xqq h THR 9 N -0.04 0.00 0.00 1.05 1.35 -1.96 -3.48 112.91 109.83 1xqq h THR 9 Ca 0.03 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1xqq h THR 9 Cb 0.28 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.70 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 1.81 0.00 3.53 5.82 0.00 -1.26 -5.10 105.19 109.99 1xqq n GLY 10 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 3.37 -0.39 1.61 2.47 -1.26 -4.96 119.74 120.58 1xqq s LYS 11 Ca 0.00 -0.19 -0.11 0.00 -1.56 0.00 0.00 55.97 54.11 1xqq s LYS 11 Cb 0.00 -3.97 0.04 0.00 -1.46 0.00 0.00 37.83 32.44 1xqq s LYS 11 CO 0.00 -1.18 0.24 0.99 0.16 0.00 0.00 175.35 175.55 1xqq s THR 12 N 3.34 4.62 -0.13 3.43 2.01 -1.26 -2.90 115.64 124.75 1xqq s THR 12 Ca 0.29 -0.95 -0.12 0.00 0.31 0.00 0.00 61.69 61.22 1xqq s THR 12 Cb -0.13 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1xqq s THR 12 CO 0.21 -0.31 0.26 0.27 -0.69 0.00 0.00 174.62 174.36 1xqq s ILE 13 N 1.55 5.32 -0.31 1.82 -4.36 0.24 -4.97 121.20 120.48 1xqq s ILE 13 Ca 0.02 0.48 -0.06 0.00 -0.26 0.00 0.00 60.65 60.83 1xqq s ILE 13 Cb -0.20 -3.57 0.03 0.00 1.25 0.00 0.00 42.46 39.96 1xqq s ILE 13 CO 0.06 0.48 0.08 -0.89 0.24 0.00 0.00 174.94 174.92 1xqq s THR 14 N -0.18 3.76 0.25 8.37 2.01 -1.26 -0.48 115.64 128.11 1xqq s THR 14 Ca 0.16 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.27 1xqq s THR 14 Cb -0.13 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1xqq s THR 14 CO 0.05 -0.05 0.18 -0.76 -0.69 0.00 0.00 174.62 173.34 1xqq s LEU 15 N 1.43 3.75 -0.10 4.42 2.01 0.68 -4.96 118.68 125.89 1xqq s LEU 15 Ca -0.00 -0.30 0.02 0.00 0.01 0.00 0.00 54.13 53.86 1xqq s LEU 15 Cb -0.18 -2.28 -0.01 0.00 0.01 0.00 0.00 46.19 43.72 1xqq s LEU 15 CO 0.02 -0.04 -0.16 -0.70 1.01 0.00 0.00 176.35 176.48 1xqq s GLU 16 N -3.83 3.11 0.17 1.70 2.12 -1.26 -2.04 118.70 118.67 1xqq s GLU 16 Ca 0.33 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.90 1xqq s GLU 16 Cb -0.08 -2.50 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 1xqq s GLU 16 CO 0.24 0.30 0.13 0.14 -0.54 0.00 0.00 175.26 175.53 1xqq s VAL 17 N 0.11 0.06 0.05 3.70 -7.23 0.14 -4.95 120.40 112.27 1xqq s VAL 17 Ca -0.07 -1.85 -0.17 0.00 -1.81 0.00 0.00 61.98 58.07 1xqq s VAL 17 Cb -0.15 -2.19 -0.06 0.00 0.56 0.00 0.00 36.38 34.54 1xqq s VAL 17 CO 0.05 -0.26 0.50 -1.61 -0.31 0.00 0.00 175.10 173.48 1xqq s GLU 18 N -4.08 4.07 0.05 4.82 0.41 -1.26 0.07 118.70 122.78 1xqq s GLU 18 Ca 0.28 0.58 0.15 0.00 -0.41 0.00 0.00 54.97 55.57 1xqq s GLU 18 Cb 0.06 -3.20 0.62 0.00 -1.78 0.00 0.00 34.13 29.83 1xqq s GLU 18 CO 0.06 0.65 1.46 -0.35 -0.49 0.00 0.00 175.26 176.58 1xqq n PRO 19 N 1.66 0.03 0.11 0.39 -0.04 -1.26 -1.52 135.00 134.38 1xqq n PRO 19 Ca -0.11 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 1xqq n PRO 19 Cb 0.51 -1.57 0.45 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.64 0.71 -4.89 3.54 3.41 -1.26 -1.76 113.62 111.73 1xqq n SER 20 Ca 0.03 0.62 -0.29 0.00 -0.26 0.00 0.00 58.87 58.96 1xqq n SER 20 Cb 0.16 -0.79 0.05 0.00 -0.26 0.00 0.00 64.21 63.37 1xqq n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xqq s ASP 21 N -4.34 5.24 0.43 4.04 2.15 -0.58 -4.65 116.67 118.96 1xqq s ASP 21 Ca 0.07 0.97 -0.07 0.00 0.43 0.00 0.00 52.55 53.96 1xqq s ASP 21 Cb 0.11 -1.72 -0.05 0.00 -0.30 0.00 0.00 42.92 40.96 1xqq s ASP 21 CO 0.49 -1.44 0.74 0.42 -0.17 0.00 0.00 175.17 175.21 1xqq s THR 22 N -3.35 4.89 0.32 1.71 -4.23 -1.26 -1.03 115.64 112.68 1xqq s THR 22 Ca 0.59 0.30 0.15 0.00 -1.18 0.00 0.00 61.69 61.55 1xqq s THR 22 Cb -0.11 -3.80 0.10 0.00 1.34 0.00 0.00 72.50 70.03 1xqq s THR 22 CO 0.50 -0.66 1.80 0.40 -0.54 0.00 0.00 174.62 176.12 1xqq h ILE 23 N 0.68 1.14 -0.61 2.99 1.08 -1.15 -0.08 117.51 121.56 1xqq h ILE 23 Ca -0.47 -1.38 0.13 0.00 -0.39 0.00 0.00 64.86 62.75 1xqq h ILE 23 Cb 1.20 1.77 -0.11 0.00 -3.07 0.00 0.00 36.82 36.61 1xqq h ILE 23 CO 0.63 0.38 -0.07 -0.08 -0.69 0.00 0.00 178.15 178.32 1xqq h GLU 24 N 0.00 0.06 0.00 2.37 4.81 -1.56 -2.43 114.58 117.83 1xqq h GLU 24 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xqq h GLU 24 Cb 0.74 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1xqq h GLU 24 CO 0.05 0.04 0.00 0.09 -0.73 0.00 0.00 179.01 178.46 1xqq n ASN 25 N -5.34 0.00 0.11 1.04 4.13 -0.08 -1.04 115.26 114.08 1xqq n ASN 25 Ca 0.08 -0.88 -0.23 0.00 1.68 0.00 0.00 54.58 55.23 1xqq n ASN 25 Cb 0.34 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.43 1xqq n ASN 25 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1xqq h VAL 26 N 0.00 1.11 0.00 2.41 2.07 -0.98 -3.36 116.25 117.50 1xqq h VAL 26 Ca 0.00 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 64.87 1xqq h VAL 26 Cb 0.00 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1xqq h VAL 26 CO 0.00 0.84 -0.11 0.11 0.02 0.00 0.00 177.57 178.43 1xqq h LYS 27 N 0.12 0.00 -0.45 1.57 1.57 -0.87 -2.52 116.57 115.99 1xqq h LYS 27 Ca -0.30 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 1xqq h LYS 27 Cb 2.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.42 1xqq h LYS 27 CO 0.22 0.11 0.07 0.00 -0.57 0.00 0.00 179.45 179.29 1xqq h ALA 28 N 1.89 0.60 0.00 3.86 0.00 -1.59 -2.49 119.26 121.53 1xqq h ALA 28 Ca -0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1xqq h ALA 28 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xqq h ALA 28 CO 0.01 0.33 -0.50 0.87 0.00 0.00 0.00 179.25 179.97 1xqq h LYS 29 N 0.62 0.00 -0.40 0.00 1.79 -1.62 -0.71 116.57 116.24 1xqq h LYS 29 Ca 0.14 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.56 1xqq h LYS 29 Cb 0.38 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 1xqq h LYS 29 CO 0.01 0.50 0.05 0.82 -1.08 0.00 0.00 179.45 179.74 1xqq h ILE 30 N 0.00 1.25 -0.47 1.86 2.04 -1.45 -1.07 117.51 119.67 1xqq h ILE 30 Ca -0.00 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1xqq h ILE 30 Cb 1.02 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1xqq h ILE 30 CO 0.06 0.31 0.30 -0.61 0.00 0.00 0.00 178.15 178.21 1xqq h GLN 31 N 0.51 0.63 -0.41 2.37 4.15 -1.06 0.15 115.11 121.45 1xqq h GLN 31 Ca 0.12 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 1xqq h GLN 31 Cb 0.39 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1xqq h GLN 31 CO 0.01 0.44 0.06 0.22 -1.93 0.00 0.00 178.83 177.63 1xqq h ASP 32 N 0.63 0.66 0.07 -0.69 3.58 -1.05 -2.57 116.42 117.04 1xqq h ASP 32 Ca 0.17 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 1xqq h ASP 32 Cb -0.03 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1xqq h ASP 32 CO -0.03 0.76 -0.03 0.50 -2.88 0.00 0.00 179.24 177.55 1xqq h LYS 33 N 0.53 -0.09 0.16 0.28 1.63 -1.10 -3.42 116.57 114.57 1xqq h LYS 33 Ca 0.12 0.01 -0.26 0.00 -0.85 0.00 0.00 60.65 59.67 1xqq h LYS 33 Cb 0.38 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1xqq h LYS 33 CO 0.01 -0.06 -1.23 1.49 -3.45 0.00 0.00 179.45 176.21 1xqq h GLU 34 N -0.31 0.33 -1.26 1.90 4.57 -0.95 -3.50 114.58 115.37 1xqq h GLU 34 Ca -0.01 -0.56 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 1xqq h GLU 34 Cb 0.07 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1xqq h GLU 34 CO 0.02 1.27 0.00 0.41 -1.18 0.00 0.00 179.01 179.53 1xqq n GLY 35 N 1.72 0.57 3.38 1.92 0.00 -0.42 -4.99 105.19 107.37 1xqq n GLY 35 Ca -0.19 -0.33 -0.34 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 -2.23 3.39 0.62 -0.61 1.01 -1.26 -4.97 121.20 117.15 1xqq s ILE 36 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 1xqq s ILE 36 Cb 0.00 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 1xqq s ILE 36 CO 0.00 0.47 1.02 -2.16 0.00 0.00 0.00 174.94 174.28 1xqq s PRO 37 N 0.83 3.52 0.34 2.79 0.04 -1.26 -4.02 135.00 137.23 1xqq s PRO 37 Ca -0.02 0.69 0.26 0.00 0.04 0.00 0.00 61.00 61.96 1xqq s PRO 37 Cb -0.15 -2.09 0.76 0.00 0.04 0.00 0.00 34.50 33.07 1xqq s PRO 37 CO 0.01 -0.60 1.74 -1.35 0.04 0.00 0.00 177.00 176.85 1xqq h PRO 38 N -0.32 0.00 0.00 0.56 0.11 -1.98 -2.74 132.00 127.63 1xqq h PRO 38 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1xqq h PRO 38 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xqq h PRO 38 CO 0.62 0.00 -0.40 0.38 -0.21 0.00 0.00 178.00 178.40 1xqq h ASP 39 N 0.00 0.00 0.02 -2.05 2.03 -1.99 -3.21 116.42 111.23 1xqq h ASP 39 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xqq h ASP 39 Cb 0.73 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 1xqq h ASP 39 CO 0.00 0.40 -0.03 1.67 -1.03 0.00 0.00 179.24 180.24 1xqq n GLN 40 N -3.24 1.55 -3.73 4.15 7.27 -1.03 -4.90 117.38 117.45 1xqq n GLN 40 Ca 0.02 -0.90 -0.35 0.00 0.07 0.00 0.00 57.00 55.84 1xqq n GLN 40 Cb 0.66 -1.48 -0.08 0.00 2.41 0.00 0.00 30.24 31.75 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 -2.07 4.18 -0.16 3.69 -0.21 -1.21 -1.37 119.66 122.50 1xqq s GLN 41 Ca 0.36 -0.23 -0.01 0.00 0.02 0.00 0.00 55.36 55.51 1xqq s GLN 41 Cb 0.21 -3.43 0.04 0.00 1.00 0.00 0.00 33.01 30.84 1xqq s GLN 41 CO 0.36 0.28 -0.03 0.50 -2.12 0.00 0.00 175.29 174.28 1xqq s ARG 42 N 0.42 1.19 -0.12 2.91 6.06 -0.70 -5.00 118.95 123.71 1xqq s ARG 42 Ca 0.08 -0.45 -0.05 0.00 -2.50 0.00 0.00 55.73 52.81 1xqq s ARG 42 Cb -0.11 -1.94 -0.04 0.00 0.06 0.00 0.00 34.95 32.92 1xqq s ARG 42 CO -0.01 -0.47 0.07 -0.51 -2.50 0.00 0.00 175.30 171.88 1xqq s LEU 43 N 1.71 3.95 -0.05 -0.88 1.43 -1.26 -1.11 118.68 122.46 1xqq s LEU 43 Ca 0.01 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 1xqq s LEU 43 Cb -0.15 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 1xqq s LEU 43 CO -0.07 0.35 -0.17 -0.63 0.23 0.00 0.00 176.35 176.05 1xqq s ILE 44 N -0.68 1.48 -0.43 -0.59 1.01 -0.67 -0.67 121.20 120.65 1xqq s ILE 44 Ca 0.12 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1xqq s ILE 44 Cb -0.12 -1.28 0.12 0.00 0.01 0.00 0.00 42.46 41.19 1xqq s ILE 44 CO 0.02 0.43 0.18 0.12 0.00 0.00 0.00 174.94 175.69 1xqq s PHE 45 N 0.16 3.53 0.00 3.97 5.36 0.12 -1.25 117.98 129.86 1xqq s PHE 45 Ca -0.07 -2.93 0.00 0.00 -0.96 0.00 0.00 56.93 52.97 1xqq s PHE 45 Cb -0.13 -2.97 0.00 0.00 -0.34 0.00 0.00 43.02 39.58 1xqq s PHE 45 CO 0.03 -0.88 0.00 0.00 -1.46 0.00 0.00 175.22 172.91 1xqq n ALA 46 N 3.90 0.00 0.38 11.12 0.00 -1.26 -1.00 120.51 133.64 1xqq n ALA 46 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.59 1xqq n ALA 46 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.26 3.54 0.00 0.00 -1.26 -5.01 105.19 101.20 1xqq n GLY 47 Ca 0.00 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.28 3.80 -0.24 1.61 1.02 -0.17 -5.07 119.74 117.41 1xqq s LYS 48 Ca 0.01 -0.43 -0.12 0.00 0.02 0.00 0.00 55.97 55.46 1xqq s LYS 48 Cb 0.13 -3.20 -0.05 0.00 -0.52 0.00 0.00 37.83 34.20 1xqq s LYS 48 CO 0.81 0.10 0.24 -0.65 -0.92 0.00 0.00 175.35 174.92 1xqq s GLN 49 N 0.82 4.07 -0.18 1.68 -0.21 -1.26 -0.71 119.66 123.87 1xqq s GLN 49 Ca 0.03 -0.15 -0.18 0.00 0.02 0.00 0.00 55.36 55.08 1xqq s GLN 49 Cb -0.14 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.27 1xqq s GLN 49 CO 0.02 -0.03 0.49 -0.51 -2.12 0.00 0.00 175.29 173.14 1xqq s LEU 50 N 1.32 4.18 0.33 2.90 1.43 0.16 -5.02 118.68 123.97 1xqq s LEU 50 Ca 0.11 0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 53.77 1xqq s LEU 50 Cb -0.14 -2.67 -0.07 0.00 0.03 0.00 0.00 46.19 43.34 1xqq s LEU 50 CO 0.07 -0.12 0.69 -1.61 0.23 0.00 0.00 176.35 175.61 1xqq s GLU 51 N 1.36 3.84 -0.07 1.70 2.02 -1.26 -4.55 118.70 121.74 1xqq s GLU 51 Ca 0.23 0.45 -0.26 0.00 0.02 0.00 0.00 54.97 55.41 1xqq s GLU 51 Cb -0.15 -2.48 -0.23 0.00 0.10 0.00 0.00 34.13 31.37 1xqq s GLU 51 CO 0.09 0.13 1.03 -0.44 0.02 0.00 0.00 175.26 176.09 1xqq h ASP 52 N 1.89 0.08 -0.53 -0.19 3.32 -1.97 -3.26 116.42 115.75 1xqq h ASP 52 Ca -0.47 -0.75 -0.32 0.00 0.02 0.00 0.00 57.03 55.51 1xqq h ASP 52 Cb 1.18 -0.02 -0.16 0.00 0.22 0.00 0.00 39.33 40.54 1xqq h ASP 52 CO 0.66 0.82 0.41 0.61 -1.72 0.00 0.00 179.24 180.01 1xqq n GLY 53 N 0.94 3.80 3.44 2.75 0.00 -1.26 -1.61 105.19 113.24 1xqq n GLY 53 Ca -0.09 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.90 1.57 0.32 1.61 1.81 -1.23 -5.01 118.95 116.12 1xqq s ARG 54 Ca 0.32 -1.75 0.06 0.00 -1.72 0.00 0.00 55.73 52.65 1xqq s ARG 54 Cb 0.26 -1.43 -0.01 0.00 -0.45 0.00 0.00 34.95 33.32 1xqq s ARG 54 CO 0.03 0.19 0.46 0.95 -0.68 0.00 0.00 175.30 176.25 1xqq s THR 55 N -2.78 4.26 0.37 0.02 -4.23 -1.26 -1.62 115.64 110.40 1xqq s THR 55 Ca 0.28 -0.98 0.16 0.00 -1.18 0.00 0.00 61.69 59.97 1xqq s THR 55 Cb -0.00 -3.48 0.37 0.00 1.34 0.00 0.00 72.50 70.72 1xqq s THR 55 CO 0.12 -0.19 1.74 -0.07 -0.54 0.00 0.00 174.62 175.68 1xqq h LEU 56 N 0.92 0.51 -0.29 4.79 3.38 -1.22 -1.39 115.31 122.00 1xqq h LEU 56 Ca -0.47 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1xqq h LEU 56 Cb 1.25 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1xqq h LEU 56 CO 0.54 0.06 0.00 -1.20 0.09 0.00 0.00 178.44 177.93 1xqq n SER 57 N -4.74 0.79 0.03 -0.43 7.64 -0.73 -1.12 113.62 115.06 1xqq n SER 57 Ca 0.27 0.62 -0.17 0.00 1.01 0.00 0.00 58.87 60.60 1xqq n SER 57 Cb 0.88 -0.81 -0.06 0.00 -1.01 0.00 0.00 64.21 63.21 1xqq n SER 57 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1xqq h ASP 58 N 0.00 0.78 -0.11 6.43 3.32 -1.57 -3.19 116.42 122.08 1xqq h ASP 58 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1xqq h ASP 58 Cb 0.60 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1xqq h ASP 58 CO 0.00 1.37 0.00 -1.22 -1.72 0.00 0.00 179.24 177.67 1xqq n TYR 59 N -3.85 0.13 -3.49 4.55 4.01 -1.17 -4.95 117.16 112.39 1xqq n TYR 59 Ca -0.08 -0.06 -0.20 0.00 -0.16 0.00 0.00 57.90 57.40 1xqq n TYR 59 Cb 0.81 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.93 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 0.48 -4.05 -4.76 7.72 4.13 -0.92 -5.00 115.26 112.86 1xqq n ASN 60 Ca 0.17 -0.57 -0.39 0.00 1.68 0.00 0.00 54.58 55.47 1xqq n ASN 60 Cb 0.39 -5.01 -0.05 0.00 -1.54 0.00 0.00 39.78 33.57 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 -3.34 4.79 0.37 2.41 1.01 -0.28 -5.02 121.20 121.15 1xqq s ILE 61 Ca 0.27 1.43 0.08 0.00 0.00 0.00 0.00 60.65 62.43 1xqq s ILE 61 Cb -0.12 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1xqq s ILE 61 CO 0.72 0.41 0.13 -1.10 0.00 0.00 0.00 174.94 175.10 1xqq s GLN 62 N -0.27 2.23 -0.20 2.79 -0.21 -1.26 -4.69 119.66 118.05 1xqq s GLN 62 Ca 0.34 -1.73 -0.33 0.00 0.02 0.00 0.00 55.36 53.66 1xqq s GLN 62 Cb -0.20 -2.03 -0.10 0.00 1.00 0.00 0.00 33.01 31.69 1xqq s GLN 62 CO 0.20 0.01 2.07 1.17 -2.12 0.00 0.00 175.29 176.62 1xqq n LYS 63 N -1.14 1.80 -3.21 2.91 4.81 -1.26 -1.29 118.16 120.77 1xqq n LYS 63 Ca -0.02 0.58 -0.20 0.00 -0.87 0.00 0.00 58.31 57.80 1xqq n LYS 63 Cb 0.63 -2.76 0.05 0.00 0.02 0.00 0.00 35.03 32.98 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xqq n GLU 64 N 7.70 -5.67 -2.39 1.64 1.02 0.33 -5.00 120.64 118.27 1xqq n GLU 64 Ca 0.30 0.73 -0.35 0.00 -0.02 0.00 0.00 57.16 57.82 1xqq n GLU 64 Cb 0.32 -5.36 -0.02 0.00 -0.02 0.00 0.00 31.44 26.36 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 -3.05 6.17 -0.17 1.62 0.01 -0.41 -4.77 113.70 113.10 1xqq s SER 65 Ca 0.40 2.11 -0.04 0.00 1.31 0.00 0.00 55.95 59.73 1xqq s SER 65 Cb -0.17 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.45 1xqq s SER 65 CO 0.49 -0.91 -0.03 -0.89 0.41 0.00 0.00 173.24 172.31 1xqq s THR 66 N -1.77 3.84 -0.11 1.44 2.01 -1.26 -2.23 115.64 117.57 1xqq s THR 66 Ca 0.67 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 62.24 1xqq s THR 66 Cb -0.22 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1xqq s THR 66 CO 0.26 0.48 0.10 -0.76 -0.69 0.00 0.00 174.62 174.02 1xqq s LEU 67 N 0.53 4.17 -0.40 4.42 1.43 0.98 -4.74 118.68 125.06 1xqq s LEU 67 Ca -0.03 0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.30 1xqq s LEU 67 Cb -0.14 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1xqq s LEU 67 CO 0.03 0.39 0.28 -1.00 0.23 0.00 0.00 176.35 176.29 1xqq s HIS 68 N -1.01 3.24 -0.17 0.29 3.76 -0.38 -1.34 115.29 119.68 1xqq s HIS 68 Ca 0.15 -0.57 -0.16 0.00 -0.15 0.00 0.00 55.06 54.34 1xqq s HIS 68 Cb -0.12 -2.56 -0.04 0.00 1.11 0.00 0.00 32.58 30.97 1xqq s HIS 68 CO 0.04 -0.56 0.37 -1.17 -0.85 0.00 0.00 174.74 172.57 1xqq s LEU 69 N 1.68 4.20 -0.23 0.89 2.96 0.39 -1.67 118.68 126.90 1xqq s LEU 69 Ca 0.05 0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 54.36 1xqq s LEU 69 Cb -0.19 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 1xqq s LEU 69 CO 0.10 -0.01 0.40 -0.69 -1.32 0.00 0.00 176.35 174.83 1xqq s VAL 70 N 0.92 5.18 -0.08 1.68 1.01 -0.27 -4.12 120.40 124.73 1xqq s VAL 70 Ca 0.19 0.67 -0.24 0.00 0.00 0.00 0.00 61.98 62.60 1xqq s VAL 70 Cb -0.14 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1xqq s VAL 70 CO 0.07 0.21 0.72 -0.76 0.00 0.00 0.00 175.10 175.34 1xqq s LEU 71 N 1.64 4.30 0.11 3.92 1.43 -1.26 -1.71 118.68 127.11 1xqq s LEU 71 Ca 0.18 1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 54.17 1xqq s LEU 71 Cb -0.15 -3.11 -0.06 0.00 0.03 0.00 0.00 46.19 42.90 1xqq s LEU 71 CO 0.09 -0.15 1.06 -0.60 0.23 0.00 0.00 176.35 176.98 1xqq s ARG 72 N 0.95 4.59 0.11 1.70 3.52 -0.47 -4.88 118.95 124.47 1xqq s ARG 72 Ca 0.38 1.61 0.00 0.00 -0.13 0.00 0.00 55.73 57.59 1xqq s ARG 72 Cb -0.18 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 1xqq s ARG 72 CO 0.18 0.03 0.00 -0.11 -0.81 0.00 0.00 175.30 174.59 1xqq n LEU 73 N 2.99 0.94 -0.06 -0.88 7.94 -1.26 -4.97 117.00 121.71 1xqq n LEU 73 Ca 0.04 0.16 -0.05 0.00 -1.11 0.00 0.00 56.01 55.05 1xqq n LEU 73 Cb 0.48 -0.25 -0.02 0.00 0.53 0.00 0.00 43.42 44.16 1xqq n LEU 73 CO 0.53 -0.72 -0.40 -1.14 -1.11 0.00 0.00 177.39 174.55 1xqq n ARG 74 N -3.47 0.33 -3.55 1.96 3.00 -1.26 -5.07 116.66 108.60 1xqq n ARG 74 Ca 0.00 0.17 -0.11 0.00 -0.00 0.00 0.00 57.85 57.91 1xqq n ARG 74 Cb 0.03 -1.12 -0.03 0.00 0.00 0.00 0.00 32.46 31.34 1xqq n ARG 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1xqq s GLY 75 N -4.13 -0.42 0.00 5.14 0.00 -1.26 -5.26 107.32 101.39 1xqq s GLY 75 Ca -0.17 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.74 1xqq s GLY 75 CO 0.26 -0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.92