#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xd3 s GLN 2 N 0.00 3.08 0.16 3.17 -0.21 -1.26 -0.39 119.66 124.21 1xd3 s GLN 2 Ca 0.00 -0.47 0.04 0.00 0.02 0.00 0.00 55.36 54.95 1xd3 s GLN 2 Cb 0.00 -2.87 -0.05 0.00 1.00 0.00 0.00 33.01 31.10 1xd3 s GLN 2 CO 0.00 0.65 -0.07 0.96 -2.12 0.00 0.00 175.29 174.71 1xd3 s ILE 3 N -1.18 1.09 -0.04 1.08 -4.36 -0.71 -0.07 121.20 117.01 1xd3 s ILE 3 Ca 0.22 -2.05 0.06 0.00 -0.26 0.00 0.00 60.65 58.63 1xd3 s ILE 3 Cb -0.12 -1.96 -0.02 0.00 1.25 0.00 0.00 42.46 41.60 1xd3 s ILE 3 CO 0.13 -0.65 -0.21 -0.36 0.24 0.00 0.00 174.94 174.10 1xd3 s PHE 4 N -3.38 2.50 -0.15 1.37 0.40 -0.06 -1.28 117.98 117.39 1xd3 s PHE 4 Ca 0.19 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1xd3 s PHE 4 Cb 0.04 -1.56 0.02 0.00 0.51 0.00 0.00 43.02 42.02 1xd3 s PHE 4 CO 0.02 0.06 -0.16 0.08 0.70 0.00 0.00 175.22 175.92 1xd3 s VAL 5 N -0.64 1.67 -0.04 -0.44 1.01 0.56 0.12 120.40 122.64 1xd3 s VAL 5 Ca 0.10 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1xd3 s VAL 5 Cb -0.10 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1xd3 s VAL 5 CO -0.00 0.48 0.12 -0.54 0.00 0.00 0.00 175.10 175.15 1xd3 s LYS 6 N 1.39 3.27 0.40 2.72 1.02 0.14 0.03 119.74 128.71 1xd3 s LYS 6 Ca 0.04 -0.34 0.08 0.00 0.02 0.00 0.00 55.97 55.77 1xd3 s LYS 6 Cb -0.13 -3.01 -0.05 0.00 -0.52 0.00 0.00 37.83 34.12 1xd3 s LYS 6 CO -0.10 0.70 0.18 0.95 -0.92 0.00 0.00 175.35 176.16 1xd3 s THR 7 N -1.16 2.44 0.28 2.17 -4.23 -0.72 -0.27 115.64 114.14 1xd3 s THR 7 Ca 0.21 -1.68 -0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1xd3 s THR 7 Cb -0.12 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 71.01 1xd3 s THR 7 CO 0.12 -0.03 1.91 0.25 -0.54 0.00 0.00 174.62 176.32 1xd3 h LEU 8 N 1.42 1.00 0.00 4.79 5.85 -1.90 -1.08 115.31 125.39 1xd3 h LEU 8 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1xd3 h LEU 8 Cb 1.25 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1xd3 h LEU 8 CO 0.68 0.66 0.00 0.35 -0.34 0.00 0.00 178.44 179.79 1xd3 n THR 9 N -4.47 0.86 -0.23 1.05 -2.24 -1.26 -4.83 114.28 103.16 1xd3 n THR 9 Ca 0.14 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1xd3 n THR 9 Cb 0.15 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 1xd3 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xd3 n GLY 10 N -0.10 0.66 3.77 3.38 0.00 -0.41 -5.06 105.19 107.43 1xd3 n GLY 10 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1xd3 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xd3 s LYS 11 N -0.77 4.46 -0.20 1.61 2.20 -1.26 -4.82 119.74 120.96 1xd3 s LYS 11 Ca 0.00 1.51 -0.04 0.00 -0.36 0.00 0.00 55.97 57.07 1xd3 s LYS 11 Cb 0.00 -2.82 -0.02 0.00 -1.51 0.00 0.00 37.83 33.48 1xd3 s LYS 11 CO 0.00 0.12 -0.03 0.99 -0.36 0.00 0.00 175.35 176.08 1xd3 s THR 12 N -1.51 3.68 -0.23 3.43 2.01 -1.26 -1.76 115.64 119.99 1xd3 s THR 12 Ca 0.51 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 62.02 1xd3 s THR 12 Cb -0.23 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1xd3 s THR 12 CO 0.29 0.44 0.10 -0.63 -0.69 0.00 0.00 174.62 174.13 1xd3 s ILE 13 N 1.05 4.75 -0.20 1.82 1.01 0.10 -4.92 121.20 124.82 1xd3 s ILE 13 Ca 0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 1xd3 s ILE 13 Cb -0.15 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 1xd3 s ILE 13 CO 0.01 0.36 0.22 -0.89 0.00 0.00 0.00 174.94 174.63 1xd3 s THR 14 N 1.20 5.34 0.11 2.92 2.01 -1.26 -0.32 115.64 125.64 1xd3 s THR 14 Ca 0.05 0.35 0.10 0.00 0.31 0.00 0.00 61.69 62.50 1xd3 s THR 14 Cb -0.14 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1xd3 s THR 14 CO 0.04 0.37 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.35 1xd3 s LEU 15 N 0.75 2.48 -0.30 4.42 1.43 -0.40 -4.98 118.68 122.09 1xd3 s LEU 15 Ca 0.11 -0.64 -0.10 0.00 -1.03 0.00 0.00 54.13 52.47 1xd3 s LEU 15 Cb -0.13 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 1xd3 s LEU 15 CO 0.03 0.19 0.16 -1.61 0.23 0.00 0.00 176.35 175.35 1xd3 s GLU 16 N -2.00 3.61 0.28 1.70 0.41 -1.26 -1.74 118.70 119.70 1xd3 s GLU 16 Ca 0.15 -0.54 0.04 0.00 -0.41 0.00 0.00 54.97 54.21 1xd3 s GLU 16 Cb -0.10 -3.59 -0.03 0.00 -1.78 0.00 0.00 34.13 28.62 1xd3 s GLU 16 CO 0.07 -0.31 0.23 0.14 -0.49 0.00 0.00 175.26 174.91 1xd3 s VAL 17 N 1.68 0.00 0.12 2.63 -7.23 0.47 -4.96 120.40 113.11 1xd3 s VAL 17 Ca 0.06 -1.98 0.06 0.00 -1.81 0.00 0.00 61.98 58.31 1xd3 s VAL 17 Cb -0.16 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1xd3 s VAL 17 CO 0.08 0.00 -0.14 -1.61 -0.31 0.00 0.00 175.10 173.12 1xd3 s GLU 18 N -3.71 1.01 0.56 4.82 0.41 -1.26 -0.05 118.70 120.48 1xd3 s GLU 18 Ca 0.40 -1.24 0.26 0.00 -0.41 0.00 0.00 54.97 53.98 1xd3 s GLU 18 Cb 0.04 -0.88 1.53 0.00 -1.78 0.00 0.00 34.13 33.04 1xd3 s GLU 18 CO 0.21 0.17 2.08 -1.35 -0.49 0.00 0.00 175.26 175.88 1xd3 h PRO 19 N 3.51 0.00 -0.00 0.39 0.11 -1.97 -1.04 132.00 132.99 1xd3 h PRO 19 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1xd3 h PRO 19 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xd3 h PRO 19 CO 0.51 0.00 -0.01 -1.13 -0.21 0.00 0.00 178.00 177.16 1xd3 n SER 20 N -4.06 0.14 -4.76 -2.05 3.41 -1.26 -1.45 113.62 103.59 1xd3 n SER 20 Ca 0.03 -0.76 -0.41 0.00 -0.26 0.00 0.00 58.87 57.47 1xd3 n SER 20 Cb 0.36 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 1xd3 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xd3 s ASP 21 N -2.20 6.77 0.59 4.04 1.11 -0.40 -4.82 116.67 121.76 1xd3 s ASP 21 Ca 0.40 2.64 -0.09 0.00 0.18 0.00 0.00 52.55 55.69 1xd3 s ASP 21 Cb 0.21 -2.64 -0.02 0.00 1.07 0.00 0.00 42.92 41.55 1xd3 s ASP 21 CO 0.40 -0.57 0.95 0.42 1.18 0.00 0.00 175.17 177.56 1xd3 s THR 22 N -0.72 4.33 0.42 -1.27 -4.23 -1.26 -1.49 115.64 111.43 1xd3 s THR 22 Ca 0.52 0.45 0.11 0.00 -1.18 0.00 0.00 61.69 61.59 1xd3 s THR 22 Cb -0.40 -3.72 0.21 0.00 1.34 0.00 0.00 72.50 69.94 1xd3 s THR 22 CO 0.49 -0.84 2.00 0.40 -0.54 0.00 0.00 174.62 176.13 1xd3 h ILE 23 N -0.21 1.12 -0.68 2.99 1.08 -0.67 -0.70 117.51 120.43 1xd3 h ILE 23 Ca -0.45 -0.47 -0.06 0.00 -0.39 0.00 0.00 64.86 63.49 1xd3 h ILE 23 Cb 1.22 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.95 1xd3 h ILE 23 CO 0.62 0.15 0.19 -0.33 -0.69 0.00 0.00 178.15 178.09 1xd3 h GLU 24 N 0.24 1.07 -0.76 2.37 3.07 -1.62 -0.43 114.58 118.51 1xd3 h GLU 24 Ca 0.06 -0.23 -0.06 0.00 -0.50 0.00 0.00 59.36 58.63 1xd3 h GLU 24 Cb 0.19 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1xd3 h GLU 24 CO 0.00 0.93 0.26 -0.91 -1.40 0.00 0.00 179.01 177.89 1xd3 h ASN 25 N 1.02 1.09 -0.57 1.42 -0.26 -1.46 -0.91 115.58 115.92 1xd3 h ASN 25 Ca 0.22 -0.20 -0.06 0.00 -0.56 0.00 0.00 56.30 55.70 1xd3 h ASN 25 Cb 0.32 -0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 1xd3 h ASN 25 CO -0.00 1.00 0.13 0.58 -1.06 0.00 0.00 177.43 178.07 1xd3 h VAL 26 N 1.12 1.25 -0.33 2.81 2.07 -0.73 -1.30 116.25 121.14 1xd3 h VAL 26 Ca 0.25 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1xd3 h VAL 26 Cb 0.28 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1xd3 h VAL 26 CO -0.01 0.33 -0.12 0.11 0.02 0.00 0.00 177.57 177.91 1xd3 h LYS 27 N 0.82 0.57 -0.48 1.57 1.57 -0.78 -1.07 116.57 118.77 1xd3 h LYS 27 Ca 0.18 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1xd3 h LYS 27 Cb 0.36 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1xd3 h LYS 27 CO 0.00 0.68 0.04 0.00 -0.57 0.00 0.00 179.45 179.60 1xd3 h ALA 28 N 1.35 1.17 -0.27 3.86 0.00 -0.76 -0.41 119.26 124.20 1xd3 h ALA 28 Ca 0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1xd3 h ALA 28 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xd3 h ALA 28 CO 0.03 0.54 -0.34 0.87 0.00 0.00 0.00 179.25 180.35 1xd3 h LYS 29 N 0.72 0.58 -0.41 0.00 1.57 -0.56 -1.15 116.57 117.33 1xd3 h LYS 29 Ca 0.15 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 1xd3 h LYS 29 Cb 0.39 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1xd3 h LYS 29 CO 0.01 0.84 -0.28 0.82 -0.57 0.00 0.00 179.45 180.28 1xd3 h ILE 30 N 0.49 1.27 -0.83 1.86 2.04 -0.75 -2.69 117.51 118.91 1xd3 h ILE 30 Ca 0.05 -1.43 -0.04 0.00 1.00 0.00 0.00 64.86 64.45 1xd3 h ILE 30 Cb 0.83 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1xd3 h ILE 30 CO 0.07 0.48 0.37 -0.61 0.00 0.00 0.00 178.15 178.46 1xd3 h GLN 31 N 0.74 1.21 -0.78 2.37 4.15 -0.78 0.24 115.11 122.26 1xd3 h GLN 31 Ca 0.09 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 1xd3 h GLN 31 Cb 0.83 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 28.27 1xd3 h GLN 31 CO 0.07 0.95 0.48 -0.44 -1.93 0.00 0.00 178.83 177.96 1xd3 h ASP 32 N 1.19 0.92 0.69 -0.69 3.32 -0.99 0.39 116.42 121.25 1xd3 h ASP 32 Ca 0.28 -0.04 -0.24 0.00 0.02 0.00 0.00 57.03 57.05 1xd3 h ASP 32 Cb 0.16 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 1xd3 h ASP 32 CO -0.03 0.70 -1.44 0.11 -1.72 0.00 0.00 179.24 176.86 1xd3 h LYS 33 N 1.07 0.00 0.00 3.56 1.57 -1.09 -3.41 116.57 118.26 1xd3 h LYS 33 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1xd3 h LYS 33 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1xd3 h LYS 33 CO -0.05 0.54 0.00 0.39 -0.57 0.00 0.00 179.45 179.75 1xd3 n GLU 34 N -3.08 5.89 -0.95 3.15 -0.58 0.79 -5.03 120.64 120.84 1xd3 n GLU 34 Ca -0.11 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1xd3 n GLU 34 Cb 0.96 -0.43 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 1xd3 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xd3 n GLY 35 N 0.84 0.83 3.64 0.62 0.00 0.13 -5.00 105.19 106.25 1xd3 n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1xd3 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xd3 s ILE 36 N -3.29 4.74 0.56 -0.61 -1.09 -1.26 -4.99 121.20 115.26 1xd3 s ILE 36 Ca 0.00 1.58 -0.21 0.00 -2.23 0.00 0.00 60.65 59.79 1xd3 s ILE 36 Cb 0.00 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 1xd3 s ILE 36 CO 0.00 -0.22 1.28 -2.16 -1.23 0.00 0.00 174.94 172.62 1xd3 s PRO 37 N 3.09 3.12 0.33 2.79 0.04 -1.26 -3.99 135.00 139.11 1xd3 s PRO 37 Ca 0.38 2.04 0.10 0.00 0.04 0.00 0.00 61.00 63.56 1xd3 s PRO 37 Cb -0.14 -2.15 0.86 0.00 0.04 0.00 0.00 34.50 33.11 1xd3 s PRO 37 CO 0.10 -1.15 1.77 -1.35 0.04 0.00 0.00 177.00 176.41 1xd3 h PRO 38 N 1.29 0.62 0.00 0.56 0.11 -1.95 -1.28 132.00 131.35 1xd3 h PRO 38 Ca -0.51 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 1xd3 h PRO 38 Cb 1.30 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xd3 h PRO 38 CO 0.57 0.41 -0.01 0.38 -0.21 0.00 0.00 178.00 179.13 1xd3 h ASP 39 N 0.64 0.00 0.08 -2.05 2.03 -1.97 -1.47 116.42 113.68 1xd3 h ASP 39 Ca 0.59 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.89 1xd3 h ASP 39 Cb 1.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 1xd3 h ASP 39 CO -0.38 0.01 -0.12 0.00 -1.03 0.00 0.00 179.24 177.73 1xd3 n GLN 40 N -3.71 1.36 -3.67 4.15 6.02 -0.48 -4.89 117.38 116.16 1xd3 n GLN 40 Ca -0.03 -0.83 -0.36 0.00 -0.01 0.00 0.00 57.00 55.77 1xd3 n GLN 40 Cb 0.10 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 29.80 1xd3 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xd3 s GLN 41 N -2.21 4.08 -0.20 -1.09 -0.21 -0.55 -0.31 119.66 119.15 1xd3 s GLN 41 Ca 0.31 -0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.66 1xd3 s GLN 41 Cb 0.20 -3.37 0.04 0.00 1.00 0.00 0.00 33.01 30.88 1xd3 s GLN 41 CO 0.41 0.38 -0.15 0.50 -2.12 0.00 0.00 175.29 174.31 1xd3 s ARG 42 N 0.09 2.55 -0.13 2.91 3.52 -0.53 -4.93 118.95 122.43 1xd3 s ARG 42 Ca 0.13 -0.97 -0.06 0.00 -0.13 0.00 0.00 55.73 54.70 1xd3 s ARG 42 Cb -0.12 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.62 1xd3 s ARG 42 CO 0.02 -0.36 0.11 -0.51 -0.81 0.00 0.00 175.30 173.75 1xd3 s LEU 43 N 1.27 4.16 -0.04 -0.88 1.43 -1.26 -1.03 118.68 122.33 1xd3 s LEU 43 Ca -0.00 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.48 1xd3 s LEU 43 Cb -0.16 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 1xd3 s LEU 43 CO -0.10 0.35 -0.14 -0.63 0.23 0.00 0.00 176.35 176.06 1xd3 s ILE 44 N -0.70 1.21 -0.10 -0.59 -1.09 0.02 -0.82 121.20 119.11 1xd3 s ILE 44 Ca 0.13 -0.60 -0.01 0.00 -2.23 0.00 0.00 60.65 57.94 1xd3 s ILE 44 Cb -0.12 -1.04 0.03 0.00 -1.58 0.00 0.00 42.46 39.75 1xd3 s ILE 44 CO 0.03 0.35 -0.05 0.12 -1.23 0.00 0.00 174.94 174.16 1xd3 s PHE 45 N 0.07 1.25 -1.46 3.97 5.36 -0.36 -0.79 117.98 126.02 1xd3 s PHE 45 Ca -0.03 -0.59 -0.08 0.00 -0.96 0.00 0.00 56.93 55.27 1xd3 s PHE 45 Cb -0.10 -1.11 0.04 0.00 -0.34 0.00 0.00 43.02 41.50 1xd3 s PHE 45 CO 0.01 -0.47 0.79 0.00 -1.46 0.00 0.00 175.22 174.10 1xd3 n ALA 46 N 5.00 -1.13 -1.01 11.12 0.00 -1.26 -1.13 120.51 132.10 1xd3 n ALA 46 Ca -0.11 0.26 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 1xd3 n ALA 46 Cb 0.50 -4.18 -0.00 0.00 0.00 0.00 0.00 19.45 15.76 1xd3 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xd3 n GLY 47 N -1.60 0.42 3.53 0.00 0.00 -1.26 -5.03 105.19 101.25 1xd3 n GLY 47 Ca -0.03 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1xd3 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xd3 s LYS 48 N -0.58 3.13 0.08 1.61 -0.14 -0.28 -5.08 119.74 118.48 1xd3 s LYS 48 Ca 0.00 -0.55 -0.31 0.00 -1.36 0.00 0.00 55.97 53.75 1xd3 s LYS 48 Cb 0.00 -2.70 -0.07 0.00 -1.68 0.00 0.00 37.83 33.38 1xd3 s LYS 48 CO 0.00 0.47 1.29 -1.14 -0.76 0.00 0.00 175.35 175.21 1xd3 s GLN 49 N -0.29 4.38 -0.11 1.68 0.74 -1.26 -1.22 119.66 123.59 1xd3 s GLN 49 Ca 0.04 1.91 -0.19 0.00 0.05 0.00 0.00 55.36 57.17 1xd3 s GLN 49 Cb -0.13 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 1xd3 s GLN 49 CO 0.02 -0.34 0.53 -0.51 -0.55 0.00 0.00 175.29 174.44 1xd3 s LEU 50 N 1.10 4.29 -0.08 3.68 1.43 -0.00 -4.96 118.68 124.13 1xd3 s LEU 50 Ca 0.61 0.91 -0.21 0.00 -1.03 0.00 0.00 54.13 54.41 1xd3 s LEU 50 Cb -0.33 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 1xd3 s LEU 50 CO 0.30 -0.03 0.58 -1.61 0.23 0.00 0.00 176.35 175.82 1xd3 s GLU 51 N 0.66 4.37 0.34 1.70 0.41 -1.26 -4.68 118.70 120.24 1xd3 s GLU 51 Ca 0.29 0.66 0.12 0.00 -0.41 0.00 0.00 54.97 55.63 1xd3 s GLU 51 Cb -0.16 -3.43 1.05 0.00 -1.78 0.00 0.00 34.13 29.82 1xd3 s GLU 51 CO 0.12 0.15 1.61 -0.44 -0.49 0.00 0.00 175.26 176.21 1xd3 h ASP 52 N 6.58 0.14 1.22 -0.19 3.45 -1.97 -1.73 116.42 123.92 1xd3 h ASP 52 Ca -0.42 0.24 0.00 0.00 0.43 0.00 0.00 57.03 57.28 1xd3 h ASP 52 Cb 1.19 0.28 0.00 0.00 -0.56 0.00 0.00 39.33 40.24 1xd3 h ASP 52 CO 0.75 -0.30 0.00 0.61 -1.57 0.00 0.00 179.24 178.73 1xd3 n GLY 53 N -1.34 -1.57 3.95 2.75 0.00 -1.26 -1.84 105.19 105.88 1xd3 n GLY 53 Ca 0.30 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 1xd3 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xd3 s ARG 54 N -3.09 2.19 0.36 1.61 0.52 -0.65 -4.83 118.95 115.07 1xd3 s ARG 54 Ca 0.11 -0.46 0.08 0.00 -0.52 0.00 0.00 55.73 54.94 1xd3 s ARG 54 Cb 0.14 -2.25 -0.03 0.00 0.52 0.00 0.00 34.95 33.32 1xd3 s ARG 54 CO 0.54 -1.16 0.25 0.95 0.02 0.00 0.00 175.30 175.91 1xd3 s THR 55 N -3.14 3.09 0.29 0.02 -4.23 -1.26 -0.47 115.64 109.95 1xd3 s THR 55 Ca 0.60 -1.49 -0.02 0.00 -1.18 0.00 0.00 61.69 59.60 1xd3 s THR 55 Cb -0.10 -3.07 0.26 0.00 1.34 0.00 0.00 72.50 70.94 1xd3 s THR 55 CO 0.43 -0.13 1.96 -0.07 -0.54 0.00 0.00 174.62 176.27 1xd3 h LEU 56 N 1.31 0.97 -1.47 4.79 3.38 -1.18 -1.32 115.31 121.79 1xd3 h LEU 56 Ca -0.44 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 1xd3 h LEU 56 Cb 1.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1xd3 h LEU 56 CO 0.61 0.69 -0.20 0.77 0.09 0.00 0.00 178.44 180.39 1xd3 h SER 57 N 1.13 0.08 0.18 -0.43 4.64 -1.49 -1.60 113.55 116.07 1xd3 h SER 57 Ca 0.32 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 1xd3 h SER 57 Cb -0.08 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1xd3 h SER 57 CO -0.08 0.30 -0.11 0.44 -0.87 0.00 0.00 176.83 176.51 1xd3 h ASP 58 N 0.08 0.00 -0.59 4.97 3.45 -1.52 -2.02 116.42 120.79 1xd3 h ASP 58 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1xd3 h ASP 58 Cb 0.41 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 1xd3 h ASP 58 CO 0.03 0.11 0.00 -1.22 -1.57 0.00 0.00 179.24 176.59 1xd3 n TYR 59 N -4.06 0.79 -3.17 4.55 4.02 -0.73 -4.95 117.16 113.61 1xd3 n TYR 59 Ca -0.02 -0.43 -0.23 0.00 -0.01 0.00 0.00 57.90 57.20 1xd3 n TYR 59 Cb 0.20 -0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.54 1xd3 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1xd3 n ASN 60 N 1.45 -5.70 -4.63 7.72 5.15 -0.76 -4.93 115.26 113.55 1xd3 n ASN 60 Ca 0.21 -0.35 -0.42 0.00 -0.60 0.00 0.00 54.58 53.42 1xd3 n ASN 60 Cb 0.59 -4.60 -0.03 0.00 -0.53 0.00 0.00 39.78 35.20 1xd3 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xd3 s ILE 61 N -3.16 4.66 0.49 -1.44 1.01 -0.68 -5.02 121.20 117.07 1xd3 s ILE 61 Ca 0.36 1.57 0.05 0.00 0.00 0.00 0.00 60.65 62.63 1xd3 s ILE 61 Cb -0.17 -4.28 0.05 0.00 0.01 0.00 0.00 42.46 38.07 1xd3 s ILE 61 CO 0.45 -0.32 0.38 0.00 0.00 0.00 0.00 174.94 175.45 1xd3 n GLN 62 N 6.49 0.76 -1.73 2.79 6.02 -1.26 -4.56 117.38 125.89 1xd3 n GLN 62 Ca 0.09 -3.05 -0.42 0.00 -0.01 0.00 0.00 57.00 53.61 1xd3 n GLN 62 Cb 0.47 0.30 -0.01 0.00 1.02 0.00 0.00 30.24 32.02 1xd3 n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1xd3 n LYS 63 N -1.67 2.38 -1.26 -1.09 2.85 -1.26 -2.00 118.16 116.11 1xd3 n LYS 63 Ca -0.01 0.84 -0.09 0.00 -1.05 0.00 0.00 58.31 58.00 1xd3 n LYS 63 Cb 0.56 -2.51 -0.04 0.00 -0.65 0.00 0.00 35.03 32.39 1xd3 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xd3 n GLU 64 N 0.99 -1.22 -1.71 -1.58 1.02 0.91 -4.99 120.64 114.06 1xd3 n GLU 64 Ca 0.05 0.77 -0.33 0.00 -0.02 0.00 0.00 57.16 57.63 1xd3 n GLU 64 Cb 0.36 -4.89 0.05 0.00 -0.02 0.00 0.00 31.44 26.95 1xd3 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1xd3 s SER 65 N -2.50 5.02 -0.11 1.62 0.01 -0.85 -4.72 113.70 112.17 1xd3 s SER 65 Ca 0.00 2.01 0.01 0.00 1.31 0.00 0.00 55.95 59.28 1xd3 s SER 65 Cb 0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1xd3 s SER 65 CO 0.00 -1.69 -0.12 -0.89 0.41 0.00 0.00 173.24 170.94 1xd3 s THR 66 N -2.34 3.14 0.22 1.44 2.01 -1.26 -0.88 115.64 117.97 1xd3 s THR 66 Ca 0.67 -0.65 0.10 0.00 0.31 0.00 0.00 61.69 62.12 1xd3 s THR 66 Cb -0.21 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1xd3 s THR 66 CO 0.42 0.54 -0.08 -0.76 -0.69 0.00 0.00 174.62 174.06 1xd3 s LEU 67 N 0.01 2.99 -0.08 4.42 1.43 0.12 -4.73 118.68 122.84 1xd3 s LEU 67 Ca -0.04 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1xd3 s LEU 67 Cb -0.14 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 1xd3 s LEU 67 CO 0.04 0.06 -0.11 -1.00 0.23 0.00 0.00 176.35 175.57 1xd3 s HIS 68 N -2.02 2.82 -0.23 0.29 3.76 0.03 -0.69 115.29 119.26 1xd3 s HIS 68 Ca 0.28 -0.23 -0.05 0.00 -0.15 0.00 0.00 55.06 54.90 1xd3 s HIS 68 Cb -0.07 -1.73 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 1xd3 s HIS 68 CO 0.17 0.11 -0.00 -1.17 -0.85 0.00 0.00 174.74 172.99 1xd3 s LEU 69 N -0.40 3.08 -0.13 0.89 2.96 0.62 -0.80 118.68 124.90 1xd3 s LEU 69 Ca 0.05 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1xd3 s LEU 69 Cb -0.12 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1xd3 s LEU 69 CO 0.02 -0.02 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.30 1xd3 s VAL 70 N 1.52 3.88 -0.33 1.68 1.01 -0.20 -4.18 120.40 123.78 1xd3 s VAL 70 Ca 0.06 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 1xd3 s VAL 70 Cb -0.15 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1xd3 s VAL 70 CO -0.01 0.52 0.39 -0.76 0.00 0.00 0.00 175.10 175.24 1xd3 s LEU 71 N 0.06 4.34 -1.27 3.92 1.43 -1.26 -1.45 118.68 124.45 1xd3 s LEU 71 Ca -0.00 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 1xd3 s LEU 71 Cb -0.13 -2.40 0.16 0.00 0.03 0.00 0.00 46.19 43.84 1xd3 s LEU 71 CO 0.03 -0.34 1.78 0.54 0.23 0.00 0.00 176.35 178.59 1xd3 n ARG 72 N 5.44 3.49 -3.54 1.70 5.12 0.58 -4.96 116.66 124.50 1xd3 n ARG 72 Ca -0.08 -3.55 -0.24 0.00 -1.93 0.00 0.00 57.85 52.05 1xd3 n ARG 72 Cb 0.50 -3.00 -0.02 0.00 -1.16 0.00 0.00 32.46 28.78 1xd3 n ARG 72 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1xd3 s LEU 73 N 0.60 4.11 -0.14 0.55 1.43 -1.26 -4.71 118.68 119.26 1xd3 s LEU 73 Ca 0.41 0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 53.87 1xd3 s LEU 73 Cb 0.06 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 1xd3 s LEU 73 CO 0.00 -0.20 -0.02 -0.13 0.23 0.00 0.00 176.35 176.23 1xd3 s ARG 74 N -4.00 3.57 0.00 1.70 0.52 -1.26 -5.22 118.95 114.26 1xd3 s ARG 74 Ca 0.39 -0.48 0.06 0.00 -0.52 0.00 0.00 55.73 55.19 1xd3 s ARG 74 Cb -0.10 -2.92 0.05 0.00 0.52 0.00 0.00 34.95 32.50 1xd3 s ARG 74 CO 0.33 0.34 0.70 0.41 0.02 0.00 0.00 175.30 177.10