#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 1.96 0.24 3.17 -0.21 -1.26 -1.43 119.66 122.13 1xqq s GLN 2 Ca 0.00 -1.03 0.06 0.00 0.02 0.00 0.00 55.36 54.41 1xqq s GLN 2 Cb 0.00 -2.08 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 1xqq s GLN 2 CO 0.00 0.53 -0.07 0.96 -2.12 0.00 0.00 175.29 174.59 1xqq s ILE 3 N -0.84 1.53 -0.09 1.08 -4.36 -0.88 -0.90 121.20 116.74 1xqq s ILE 3 Ca 0.13 -2.13 0.03 0.00 -0.26 0.00 0.00 60.65 58.42 1xqq s ILE 3 Cb -0.10 -2.28 0.00 0.00 1.25 0.00 0.00 42.46 41.33 1xqq s ILE 3 CO 0.03 -0.42 -0.20 -0.36 0.24 0.00 0.00 174.94 174.24 1xqq s PHE 4 N -3.10 2.15 -0.19 1.37 0.08 -0.85 -1.18 117.98 116.27 1xqq s PHE 4 Ca 0.26 -0.86 -0.01 0.00 0.12 0.00 0.00 56.93 56.45 1xqq s PHE 4 Cb 0.03 -1.47 0.05 0.00 -0.57 0.00 0.00 43.02 41.06 1xqq s PHE 4 CO 0.09 -0.36 -0.02 0.08 -0.10 0.00 0.00 175.22 174.91 1xqq s VAL 5 N 0.45 0.97 0.28 -0.44 1.01 0.38 -0.95 120.40 122.09 1xqq s VAL 5 Ca -0.17 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 60.84 1xqq s VAL 5 Cb -0.17 -1.29 -0.09 0.00 0.00 0.00 0.00 36.38 34.83 1xqq s VAL 5 CO 0.07 -0.05 0.87 -0.75 0.00 0.00 0.00 175.10 175.24 1xqq s LYS 6 N 1.67 4.49 0.00 2.72 2.20 0.28 -2.19 119.74 128.91 1xqq s LYS 6 Ca -0.01 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 1xqq s LYS 6 Cb -0.17 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1xqq s LYS 6 CO -0.07 0.34 0.00 0.25 -0.36 0.00 0.00 175.35 175.51 1xqq n THR 7 N 0.70 0.00 0.00 3.43 -2.24 -1.26 -1.20 114.28 113.71 1xqq n THR 7 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xqq n THR 7 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1xqq n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xqq n LEU 8 N 0.00 1.15 0.00 3.22 4.32 -1.26 -4.68 117.00 119.74 1xqq n LEU 8 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1xqq n LEU 8 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1xqq n LEU 8 CO 0.00 0.13 0.00 0.41 -1.22 0.00 0.00 177.39 176.71 1xqq n THR 9 N -2.57 0.00 0.00 -5.08 -1.04 -1.26 -5.05 114.28 99.28 1xqq n THR 9 Ca 0.00 0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1xqq n THR 9 Cb 0.38 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 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 2.05 1.03 3.93 3.41 0.00 -1.26 -5.04 105.19 109.32 1xqq n GLY 10 Ca 0.00 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 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 1.16 3.46 -0.27 1.61 -2.85 -1.26 -4.84 119.74 116.75 1xqq s LYS 11 Ca 0.00 -0.16 -0.29 0.00 -1.00 0.00 0.00 55.97 54.52 1xqq s LYS 11 Cb 0.00 -2.55 0.00 0.00 -2.06 0.00 0.00 37.83 33.22 1xqq s LYS 11 CO 0.00 -0.02 1.22 0.99 0.10 0.00 0.00 175.35 177.64 1xqq s THR 12 N -2.50 4.29 0.64 3.79 2.01 -1.26 -4.41 115.64 118.20 1xqq s THR 12 Ca 0.43 1.50 -0.11 0.00 0.31 0.00 0.00 61.69 63.82 1xqq s THR 12 Cb -0.10 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 1xqq s THR 12 CO 0.39 -0.39 1.04 0.27 -0.69 0.00 0.00 174.62 175.25 1xqq s ILE 13 N 3.94 4.52 -0.06 1.82 -4.36 -0.93 -4.80 121.20 121.33 1xqq s ILE 13 Ca 0.52 0.82 0.04 0.00 -0.26 0.00 0.00 60.65 61.77 1xqq s ILE 13 Cb -0.16 -3.78 0.00 0.00 1.25 0.00 0.00 42.46 39.77 1xqq s ILE 13 CO 0.18 -1.07 -0.18 -0.89 0.24 0.00 0.00 174.94 173.22 1xqq s THR 14 N -3.18 1.55 0.01 8.37 2.01 -1.26 -0.47 115.64 122.68 1xqq s THR 14 Ca 0.56 -0.76 0.08 0.00 0.31 0.00 0.00 61.69 61.88 1xqq s THR 14 Cb -0.11 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 1xqq s THR 14 CO 0.54 0.45 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.92 1xqq s LEU 15 N 0.23 2.11 -0.40 4.42 1.43 -0.33 -5.00 118.68 121.14 1xqq s LEU 15 Ca -0.09 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.36 1xqq s LEU 15 Cb -0.14 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 44.90 1xqq s LEU 15 CO 0.04 0.25 0.30 -1.61 0.23 0.00 0.00 176.35 175.57 1xqq s GLU 16 N -0.90 3.03 0.23 1.70 2.02 -1.26 -2.07 118.70 121.44 1xqq s GLU 16 Ca 0.10 -0.97 0.04 0.00 0.02 0.00 0.00 54.97 54.16 1xqq s GLU 16 Cb -0.09 -3.96 -0.05 0.00 0.10 0.00 0.00 34.13 30.12 1xqq s GLU 16 CO 0.01 -0.72 -0.02 0.14 0.02 0.00 0.00 175.26 174.68 1xqq s VAL 17 N 1.71 1.13 0.18 2.63 -7.23 -0.52 -4.95 120.40 113.35 1xqq s VAL 17 Ca 0.06 -2.05 0.07 0.00 -1.81 0.00 0.00 61.98 58.25 1xqq s VAL 17 Cb -0.19 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1xqq s VAL 17 CO 0.10 -0.37 0.02 -1.61 -0.31 0.00 0.00 175.10 172.93 1xqq s GLU 18 N -3.83 2.45 0.58 4.82 0.41 -1.26 -1.20 118.70 120.66 1xqq s GLU 18 Ca 0.27 -1.11 0.37 0.00 -0.41 0.00 0.00 54.97 54.10 1xqq s GLU 18 Cb 0.05 -2.37 1.76 0.00 -1.78 0.00 0.00 34.13 31.78 1xqq s GLU 18 CO 0.08 0.45 2.11 -1.35 -0.49 0.00 0.00 175.26 176.07 1xqq h PRO 19 N 2.60 0.00 0.00 0.39 0.11 -1.95 -2.67 132.00 130.47 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 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xqq h PRO 19 CO 0.59 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.25 1xqq n SER 20 N -3.03 0.00 -4.77 -2.05 3.41 -1.26 -0.73 113.62 105.20 1xqq n SER 20 Ca -0.01 -0.07 -0.38 0.00 -0.26 0.00 0.00 58.87 58.15 1xqq n SER 20 Cb 0.21 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.82 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 -2.56 7.33 0.76 4.04 1.01 -1.01 -4.92 116.67 121.33 1xqq s ASP 21 Ca 0.23 1.98 -0.10 0.00 0.71 0.00 0.00 52.55 55.37 1xqq s ASP 21 Cb 0.16 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.56 1xqq s ASP 21 CO 0.37 -0.08 1.12 0.42 0.21 0.00 0.00 175.17 177.21 1xqq s THR 22 N -1.40 2.30 0.36 -1.27 -4.23 -1.26 -2.68 115.64 107.46 1xqq s THR 22 Ca 0.47 -0.02 0.15 0.00 -1.18 0.00 0.00 61.69 61.11 1xqq s THR 22 Cb -0.24 -3.07 0.12 0.00 1.34 0.00 0.00 72.50 70.65 1xqq s THR 22 CO 0.30 -0.09 1.85 0.40 -0.54 0.00 0.00 174.62 176.55 1xqq h ILE 23 N -0.86 1.15 -0.08 2.99 1.08 -0.51 -1.64 117.51 119.64 1xqq h ILE 23 Ca -0.45 -1.19 -0.18 0.00 -0.39 0.00 0.00 64.86 62.65 1xqq h ILE 23 Cb 1.32 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 36.71 1xqq h ILE 23 CO 0.64 0.33 -0.71 -0.08 -0.69 0.00 0.00 178.15 177.64 1xqq h GLU 24 N 0.00 0.40 -0.99 2.37 4.81 -1.30 -1.59 114.58 118.28 1xqq h GLU 24 Ca -0.00 -0.32 0.06 0.00 -0.13 0.00 0.00 59.36 58.97 1xqq h GLU 24 Cb 0.63 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.01 1xqq h GLU 24 CO 0.04 0.95 0.64 -0.97 -0.73 0.00 0.00 179.01 178.95 1xqq h ASN 25 N 0.28 1.03 -0.43 1.04 -0.73 -1.73 -2.58 115.58 112.46 1xqq h ASN 25 Ca -0.03 0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.05 1xqq h ASN 25 Cb 1.27 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 39.63 1xqq h ASN 25 CO 0.12 0.67 -0.10 0.58 -0.37 0.00 0.00 177.43 178.33 1xqq h VAL 26 N 1.18 1.26 -0.72 2.57 2.07 -0.91 -1.57 116.25 120.13 1xqq h VAL 26 Ca 0.42 -1.20 0.07 0.00 0.82 0.00 0.00 66.70 66.81 1xqq h VAL 26 Cb 0.13 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1xqq h VAL 26 CO -0.16 0.42 0.47 0.11 0.02 0.00 0.00 177.57 178.43 1xqq h LYS 27 N 0.80 0.69 -0.61 1.57 1.57 -1.21 -0.68 116.57 118.70 1xqq h LYS 27 Ca 0.13 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1xqq h LYS 27 Cb 0.61 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1xqq h LYS 27 CO 0.04 0.46 0.08 0.00 -0.57 0.00 0.00 179.45 179.46 1xqq h ALA 28 N 1.62 0.81 -0.70 3.86 0.00 -0.88 -1.87 119.26 122.10 1xqq h ALA 28 Ca 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xqq h ALA 28 Cb 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1xqq h ALA 28 CO -0.11 0.58 0.39 0.87 0.00 0.00 0.00 179.25 180.99 1xqq h LYS 29 N 0.92 0.97 -0.26 0.00 1.57 -0.98 -3.00 116.57 115.78 1xqq h LYS 29 Ca 0.18 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1xqq h LYS 29 Cb 0.45 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1xqq h LYS 29 CO 0.02 0.72 0.15 0.82 -0.57 0.00 0.00 179.45 180.58 1xqq h ILE 30 N 0.96 1.08 -0.16 1.86 2.04 -0.86 0.12 117.51 122.56 1xqq h ILE 30 Ca 0.25 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1xqq h ILE 30 Cb 0.02 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1xqq h ILE 30 CO -0.04 0.09 0.06 -0.61 0.00 0.00 0.00 178.15 177.65 1xqq h GLN 31 N 0.36 0.13 0.26 2.37 4.15 -1.20 0.53 115.11 121.71 1xqq h GLN 31 Ca 0.10 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1xqq h GLN 31 Cb 0.01 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1xqq h GLN 31 CO -0.02 0.09 -0.38 0.22 -1.93 0.00 0.00 178.83 176.82 1xqq h ASP 32 N 0.14 -1.07 -0.56 -0.69 3.58 -1.48 -2.44 116.42 113.90 1xqq h ASP 32 Ca 0.07 0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 1xqq h ASP 32 Cb 0.03 0.37 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1xqq h ASP 32 CO -0.06 -0.46 0.12 0.50 -2.88 0.00 0.00 179.24 176.45 1xqq h LYS 33 N -0.67 0.91 0.00 0.28 1.63 -0.61 -3.38 116.57 114.73 1xqq h LYS 33 Ca -0.03 -0.23 -0.30 0.00 -0.85 0.00 0.00 60.65 59.24 1xqq h LYS 33 Cb 0.61 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 32.08 1xqq h LYS 33 CO -0.11 0.86 -1.97 0.39 -3.45 0.00 0.00 179.45 175.17 1xqq n GLU 34 N -4.37 0.39 0.00 1.90 -0.58 0.15 -5.05 120.64 113.08 1xqq n GLU 34 Ca 0.02 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1xqq n GLU 34 Cb 0.25 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 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 1.84 0.54 3.73 0.62 0.00 -0.92 -5.02 105.19 105.98 1xqq n GLY 35 Ca -0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.36 4.70 0.51 -0.61 1.01 -1.26 -4.94 121.20 119.25 1xqq s ILE 36 Ca 0.00 1.80 -0.22 0.00 0.00 0.00 0.00 60.65 62.23 1xqq s ILE 36 Cb 0.00 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.21 1xqq s ILE 36 CO 0.00 0.32 1.29 -2.84 0.00 0.00 0.00 174.94 173.70 1xqq s PRO 37 N 0.15 3.38 0.64 2.79 0.02 -1.26 -3.83 135.00 136.89 1xqq s PRO 37 Ca 0.43 2.06 0.41 0.00 0.02 0.00 0.00 61.00 63.92 1xqq s PRO 37 Cb -0.21 -2.32 2.21 0.00 0.02 0.00 0.00 34.50 34.20 1xqq s PRO 37 CO 0.25 -0.94 2.30 -1.35 -0.33 0.00 0.00 177.00 176.93 1xqq h PRO 38 N 1.69 0.00 0.00 5.54 0.11 -1.96 -1.40 132.00 135.98 1xqq h PRO 38 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xqq h PRO 38 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1xqq h PRO 38 CO 0.58 0.01 -0.22 0.38 -0.21 0.00 0.00 178.00 178.54 1xqq h ASP 39 N 0.00 0.00 -0.02 -2.05 2.03 -1.97 -3.29 116.42 111.12 1xqq h ASP 39 Ca -0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1xqq h ASP 39 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1xqq h ASP 39 CO 0.00 0.01 -0.44 0.00 -1.03 0.00 0.00 179.24 177.78 1xqq n GLN 40 N -2.72 1.30 -3.06 4.15 6.02 -0.53 -4.89 117.38 117.64 1xqq n GLN 40 Ca 0.04 -1.07 -0.39 0.00 -0.01 0.00 0.00 57.00 55.56 1xqq n GLN 40 Cb 0.50 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 30.23 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xqq s GLN 41 N -2.44 4.44 -0.13 -1.09 -0.21 -1.19 -1.67 119.66 117.37 1xqq s GLN 41 Ca 0.19 0.96 -0.00 0.00 0.02 0.00 0.00 55.36 56.53 1xqq s GLN 41 Cb 0.18 -3.35 0.03 0.00 1.00 0.00 0.00 33.01 30.88 1xqq s GLN 41 CO 0.55 0.34 -0.07 0.50 -2.12 0.00 0.00 175.29 174.50 1xqq s ARG 42 N -0.21 1.47 -0.13 2.91 3.52 0.02 -4.87 118.95 121.66 1xqq s ARG 42 Ca 0.36 -0.33 -0.07 0.00 -0.13 0.00 0.00 55.73 55.56 1xqq s ARG 42 Cb -0.20 -1.71 -0.04 0.00 -1.56 0.00 0.00 34.95 31.44 1xqq s ARG 42 CO 0.21 -0.32 0.11 -0.51 -0.81 0.00 0.00 175.30 173.98 1xqq s LEU 43 N 1.69 4.17 -0.03 -0.88 1.43 -1.26 -0.98 118.68 122.82 1xqq s LEU 43 Ca 0.04 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 1xqq s LEU 43 Cb -0.13 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.09 1xqq s LEU 43 CO -0.08 0.34 -0.01 -0.63 0.23 0.00 0.00 176.35 176.20 1xqq s ILE 44 N -0.63 0.22 -0.17 -0.59 -1.09 -0.99 -1.36 121.20 116.60 1xqq s ILE 44 Ca 0.12 0.04 0.01 0.00 -2.23 0.00 0.00 60.65 58.59 1xqq s ILE 44 Cb -0.12 -0.30 0.02 0.00 -1.58 0.00 0.00 42.46 40.48 1xqq s ILE 44 CO 0.02 0.14 -0.20 0.12 -1.23 0.00 0.00 174.94 173.79 1xqq s PHE 45 N 0.88 2.76 0.00 3.97 5.36 0.11 -0.89 117.98 130.17 1xqq s PHE 45 Ca -0.09 -1.57 0.00 0.00 -0.96 0.00 0.00 56.93 54.30 1xqq s PHE 45 Cb -0.13 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 40.66 1xqq s PHE 45 CO -0.01 -0.76 0.00 0.00 -1.46 0.00 0.00 175.22 172.99 1xqq n ALA 46 N 4.49 0.00 -1.72 11.12 0.00 -1.26 0.31 120.51 133.45 1xqq n ALA 46 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 1xqq n ALA 46 Cb 0.50 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.08 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 5.63 3.32 0.00 0.00 -1.26 -5.02 105.19 107.86 1xqq n GLY 47 Ca 0.00 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.42 3.36 -0.21 1.61 1.02 0.15 -5.09 119.74 117.16 1xqq s LYS 48 Ca 0.46 -0.66 -0.29 0.00 0.02 0.00 0.00 55.97 55.50 1xqq s LYS 48 Cb 0.40 -2.83 -0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1xqq s LYS 48 CO -0.01 -0.03 1.18 -1.14 -0.92 0.00 0.00 175.35 174.42 1xqq s GLN 49 N 1.01 4.21 -0.01 1.68 0.74 -1.26 0.09 119.66 126.12 1xqq s GLN 49 Ca -0.01 1.49 -0.19 0.00 0.05 0.00 0.00 55.36 56.71 1xqq s GLN 49 Cb -0.15 -3.73 -0.05 0.00 1.10 0.00 0.00 33.01 30.18 1xqq s GLN 49 CO -0.01 -0.73 0.52 -0.51 -0.55 0.00 0.00 175.29 174.02 1xqq s LEU 50 N 3.48 4.43 -0.18 3.68 1.43 -0.46 -4.98 118.68 126.08 1xqq s LEU 50 Ca 0.51 1.07 -0.14 0.00 -1.03 0.00 0.00 54.13 54.54 1xqq s LEU 50 Cb -0.18 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 1xqq s LEU 50 CO 0.12 0.17 0.29 -0.70 0.23 0.00 0.00 176.35 176.46 1xqq s GLU 51 N -0.42 4.22 0.14 1.70 2.12 -1.26 -4.69 118.70 120.52 1xqq s GLU 51 Ca 0.28 0.06 -0.09 0.00 0.36 0.00 0.00 54.97 55.58 1xqq s GLU 51 Cb -0.18 -3.46 0.18 0.00 0.26 0.00 0.00 34.13 30.94 1xqq s GLU 51 CO 0.15 0.17 0.91 -0.25 -0.54 0.00 0.00 175.26 175.71 1xqq n ASP 52 N 3.81 -0.33 -0.42 -1.70 9.92 -1.26 -1.69 116.55 124.88 1xqq n ASP 52 Ca -0.12 1.02 0.14 0.00 -0.53 0.00 0.00 54.79 55.30 1xqq n ASP 52 Cb 0.52 -0.25 0.57 0.00 -0.64 0.00 0.00 41.12 41.31 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xqq n GLY 53 N -1.30 -0.11 3.96 0.44 0.00 -1.26 -0.94 105.19 105.97 1xqq n GLY 53 Ca 0.07 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.98 2.63 0.55 1.61 0.52 -0.68 -4.89 118.95 116.71 1xqq s ARG 54 Ca 0.39 -0.56 0.06 0.00 -0.52 0.00 0.00 55.73 55.09 1xqq s ARG 54 Cb 0.21 -2.43 0.04 0.00 0.52 0.00 0.00 34.95 33.29 1xqq s ARG 54 CO 0.33 -0.71 0.43 0.95 0.02 0.00 0.00 175.30 176.32 1xqq s THR 55 N -2.82 1.65 0.16 0.02 -4.23 -1.26 -1.22 115.64 107.94 1xqq s THR 55 Ca 0.56 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1xqq s THR 55 Cb -0.10 -2.12 -0.14 0.00 1.34 0.00 0.00 72.50 71.48 1xqq s THR 55 CO 0.40 0.00 1.38 -0.07 -0.54 0.00 0.00 174.62 175.79 1xqq h LEU 56 N 0.71 0.35 -1.37 4.79 3.38 -1.24 -2.79 115.31 119.14 1xqq h LEU 56 Ca -0.36 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.33 1xqq h LEU 56 Cb 1.30 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1xqq h LEU 56 CO 0.56 1.05 0.35 -1.28 0.09 0.00 0.00 178.44 179.21 1xqq h SER 57 N 0.17 0.68 -0.01 -0.43 0.87 -1.17 0.21 113.55 113.86 1xqq h SER 57 Ca -0.05 -0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.32 1xqq h SER 57 Cb 1.46 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1xqq h SER 57 CO 0.14 0.52 -0.55 -0.78 -0.53 0.00 0.00 176.83 175.62 1xqq h ASP 58 N 0.79 0.66 -0.04 6.23 1.82 -1.77 -2.93 116.42 121.17 1xqq h ASP 58 Ca 0.21 -0.35 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 1xqq h ASP 58 Cb -0.04 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.78 1xqq h ASP 58 CO -0.04 1.08 0.00 -1.22 -1.61 0.00 0.00 179.24 177.45 1xqq n TYR 59 N -3.96 0.05 -3.86 0.28 4.01 -1.10 -4.91 117.16 107.68 1xqq n TYR 59 Ca -0.03 -0.03 -0.25 0.00 -0.16 0.00 0.00 57.90 57.42 1xqq n TYR 59 Cb 0.61 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.64 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 -0.47 -1.21 -4.45 7.72 3.02 -0.97 -4.96 115.26 113.94 1xqq n ASN 60 Ca 0.16 -0.97 -0.40 0.00 -0.03 0.00 0.00 54.58 53.34 1xqq n ASN 60 Cb 0.16 -3.29 -0.11 0.00 -0.61 0.00 0.00 39.78 35.92 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xqq s ILE 61 N -3.83 4.84 0.34 2.41 1.01 0.69 -5.02 121.20 121.63 1xqq s ILE 61 Ca 0.07 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1xqq s ILE 61 Cb -0.03 -3.54 0.06 0.00 0.01 0.00 0.00 42.46 38.96 1xqq s ILE 61 CO 0.87 -0.05 0.47 0.00 0.00 0.00 0.00 174.94 176.23 1xqq n GLN 62 N 5.03 0.59 -2.01 2.79 6.02 -1.26 -4.57 117.38 123.96 1xqq n GLN 62 Ca -0.13 -1.62 -0.33 0.00 -0.01 0.00 0.00 57.00 54.92 1xqq n GLN 62 Cb 0.48 -0.21 0.02 0.00 1.02 0.00 0.00 30.24 31.55 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1xqq s LYS 63 N -3.58 3.24 -0.15 -1.09 -2.85 -1.26 -3.54 119.74 110.50 1xqq s LYS 63 Ca 0.34 1.25 0.00 0.00 -1.00 0.00 0.00 55.97 56.56 1xqq s LYS 63 Cb -0.02 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.73 1xqq s LYS 63 CO 0.22 -0.88 0.00 0.39 0.10 0.00 0.00 175.35 175.18 1xqq n GLU 64 N -2.05 -0.33 -3.18 1.78 1.02 -0.08 -4.98 120.64 112.82 1xqq n GLU 64 Ca 0.09 0.29 -0.38 0.00 -0.02 0.00 0.00 57.16 57.15 1xqq n GLU 64 Cb 0.53 -3.71 -0.06 0.00 -0.02 0.00 0.00 31.44 28.18 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 -2.35 7.10 -0.34 1.62 0.01 -1.23 -4.78 113.70 113.72 1xqq s SER 65 Ca 0.00 1.36 -0.26 0.00 1.31 0.00 0.00 55.95 58.36 1xqq s SER 65 Cb 0.00 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.85 1xqq s SER 65 CO 0.00 0.18 0.92 -0.89 0.41 0.00 0.00 173.24 173.86 1xqq s THR 66 N -1.27 4.63 0.25 1.44 2.01 -1.26 -2.00 115.64 119.44 1xqq s THR 66 Ca 0.35 1.30 -0.15 0.00 0.31 0.00 0.00 61.69 63.50 1xqq s THR 66 Cb -0.19 -4.30 -0.08 0.00 0.01 0.00 0.00 72.50 67.94 1xqq s THR 66 CO 0.21 -0.44 0.67 -0.76 -0.69 0.00 0.00 174.62 173.61 1xqq s LEU 67 N 3.36 4.20 -0.16 4.42 1.43 -0.12 -4.63 118.68 127.18 1xqq s LEU 67 Ca 0.38 1.23 -0.06 0.00 -1.03 0.00 0.00 54.13 54.65 1xqq s LEU 67 Cb -0.13 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 1xqq s LEU 67 CO 0.16 -0.07 0.03 -1.00 0.23 0.00 0.00 176.35 175.70 1xqq s HIS 68 N -1.75 3.19 -0.24 0.29 3.76 -0.07 -0.56 115.29 119.91 1xqq s HIS 68 Ca 0.47 -0.01 -0.04 0.00 -0.15 0.00 0.00 55.06 55.34 1xqq s HIS 68 Cb -0.13 -2.02 0.01 0.00 1.11 0.00 0.00 32.58 31.55 1xqq s HIS 68 CO 0.19 0.15 -0.03 -1.17 -0.85 0.00 0.00 174.74 173.03 1xqq s LEU 69 N 0.22 3.14 0.15 0.89 2.96 -0.34 -2.34 118.68 123.36 1xqq s LEU 69 Ca 0.02 -0.59 0.10 0.00 -0.22 0.00 0.00 54.13 53.44 1xqq s LEU 69 Cb -0.13 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1xqq s LEU 69 CO 0.01 -0.08 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.03 1xqq s VAL 70 N 1.43 2.15 -0.10 1.68 1.01 -0.16 -4.53 120.40 121.89 1xqq s VAL 70 Ca 0.04 -1.83 -0.04 0.00 0.00 0.00 0.00 61.98 60.14 1xqq s VAL 70 Cb -0.15 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1xqq s VAL 70 CO -0.03 -0.04 0.07 -0.76 0.00 0.00 0.00 175.10 174.33 1xqq s LEU 71 N -2.29 3.96 0.04 3.92 2.01 -1.26 -0.80 118.68 124.25 1xqq s LEU 71 Ca 0.15 0.30 -0.01 0.00 0.01 0.00 0.00 54.13 54.58 1xqq s LEU 71 Cb -0.09 -1.94 -0.03 0.00 0.01 0.00 0.00 46.19 44.14 1xqq s LEU 71 CO 0.07 0.39 -0.03 0.00 1.01 0.00 0.00 176.35 177.79 1xqq s ARG 72 N -0.95 0.50 0.07 1.70 1.70 -0.67 -4.88 118.95 116.43 1xqq s ARG 72 Ca 0.14 -1.00 0.01 0.00 -0.47 0.00 0.00 55.73 54.41 1xqq s ARG 72 Cb -0.12 0.17 0.01 0.00 -0.57 0.00 0.00 34.95 34.45 1xqq s ARG 72 CO 0.03 -0.09 0.10 1.28 -1.08 0.00 0.00 175.30 175.54 1xqq n LEU 73 N 0.65 0.00 -0.07 -1.89 4.77 -1.26 -4.68 117.00 114.52 1xqq n LEU 73 Ca -0.18 -0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 55.34 1xqq n LEU 73 Cb 0.59 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 1xqq n LEU 73 CO 0.25 -0.53 0.09 0.03 -1.33 0.00 0.00 177.39 175.90 1xqq h ARG 74 N 0.00 0.03 -3.86 3.23 -0.00 -1.99 -3.39 114.38 108.40 1xqq h ARG 74 Ca -0.03 -0.06 -0.74 0.00 -0.50 0.00 0.00 59.98 58.65 1xqq h ARG 74 Cb 0.15 0.02 -0.13 0.00 0.00 0.00 0.00 29.97 30.01 1xqq h ARG 74 CO 0.05 1.03 2.21 0.41 0.00 0.00 0.00 179.97 183.66 1xqq n GLY 75 N 1.58 4.43 0.00 0.04 0.00 -1.26 -5.25 105.19 104.73 1xqq n GLY 75 Ca -0.17 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93