#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 2.68 0.05 3.17 -0.21 -1.26 -0.59 119.66 123.50 1xd3 s GLN 2 Ca 0.00 -0.77 -0.01 0.00 0.02 0.00 0.00 55.36 54.60 1xd3 s GLN 2 Cb 0.00 -2.62 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 1xd3 s GLN 2 CO 0.00 0.55 -0.03 0.96 -2.12 0.00 0.00 175.29 174.65 1xd3 s ILE 3 N -1.33 0.25 -0.04 1.08 -4.36 -0.86 0.49 121.20 116.43 1xd3 s ILE 3 Ca 0.27 -1.67 0.06 0.00 -0.26 0.00 0.00 60.65 59.05 1xd3 s ILE 3 Cb -0.12 -1.32 -0.02 0.00 1.25 0.00 0.00 42.46 42.25 1xd3 s ILE 3 CO 0.19 -0.90 -0.22 -0.36 0.24 0.00 0.00 174.94 173.90 1xd3 s PHE 4 N -3.47 2.48 -0.16 1.37 0.40 -0.02 -1.55 117.98 117.03 1xd3 s PHE 4 Ca 0.04 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.99 1xd3 s PHE 4 Cb 0.05 -1.57 0.02 0.00 0.51 0.00 0.00 43.02 42.03 1xd3 s PHE 4 CO -0.08 0.01 -0.19 0.08 0.70 0.00 0.00 175.22 175.74 1xd3 s VAL 5 N -0.56 1.95 -0.12 -0.44 1.01 0.42 0.13 120.40 122.79 1xd3 s VAL 5 Ca 0.08 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1xd3 s VAL 5 Cb -0.11 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1xd3 s VAL 5 CO 0.00 0.52 0.00 -0.54 0.00 0.00 0.00 175.10 175.09 1xd3 s LYS 6 N 1.22 3.37 0.58 2.72 1.02 -0.10 -0.30 119.74 128.25 1xd3 s LYS 6 Ca 0.02 -0.43 -0.00 0.00 0.02 0.00 0.00 55.97 55.58 1xd3 s LYS 6 Cb -0.14 -2.90 0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1xd3 s LYS 6 CO -0.10 0.49 0.83 0.95 -0.92 0.00 0.00 175.35 176.60 1xd3 s THR 7 N -0.29 2.59 0.33 2.17 -4.23 -0.62 -0.49 115.64 115.10 1xd3 s THR 7 Ca 0.06 -0.57 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 1xd3 s THR 7 Cb -0.12 -3.01 0.28 0.00 1.34 0.00 0.00 72.50 70.99 1xd3 s THR 7 CO 0.02 -0.00 1.95 0.25 -0.54 0.00 0.00 174.62 176.30 1xd3 h LEU 8 N -0.08 0.78 -0.32 4.79 5.85 -1.91 -0.82 115.31 123.60 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 1.30 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1xd3 h LEU 8 CO 0.54 0.52 0.00 0.35 -0.34 0.00 0.00 178.44 179.51 1xd3 n THR 9 N -4.47 0.95 -0.00 1.05 -2.24 -1.26 -4.86 114.28 103.45 1xd3 n THR 9 Ca 0.11 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 1xd3 n THR 9 Cb 0.18 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 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 -0.06 0.57 3.75 3.38 0.00 -0.31 -5.07 105.19 107.45 1xd3 n GLY 10 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.00 4.52 -0.22 1.61 2.20 -1.26 -4.78 119.74 120.81 1xd3 s LYS 11 Ca 0.00 1.90 -0.07 0.00 -0.36 0.00 0.00 55.97 57.44 1xd3 s LYS 11 Cb 0.00 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 1xd3 s LYS 11 CO 0.00 -0.01 0.07 0.99 -0.36 0.00 0.00 175.35 176.04 1xd3 s THR 12 N -0.52 4.49 -0.19 3.43 2.01 -1.26 -1.59 115.64 122.01 1xd3 s THR 12 Ca 0.50 -0.12 -0.06 0.00 0.31 0.00 0.00 61.69 62.32 1xd3 s THR 12 Cb -0.33 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 1xd3 s THR 12 CO 0.40 0.38 0.02 -0.63 -0.69 0.00 0.00 174.62 174.10 1xd3 s ILE 13 N 1.13 4.25 -0.22 1.82 1.01 0.59 -4.93 121.20 124.85 1xd3 s ILE 13 Ca 0.04 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 1xd3 s ILE 13 Cb -0.14 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 1xd3 s ILE 13 CO 0.03 0.44 0.13 -0.89 0.00 0.00 0.00 174.94 174.66 1xd3 s THR 14 N 0.75 5.29 0.11 2.92 2.01 -1.26 -0.44 115.64 125.02 1xd3 s THR 14 Ca 0.01 0.15 0.10 0.00 0.31 0.00 0.00 61.69 62.27 1xd3 s THR 14 Cb -0.14 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1xd3 s THR 14 CO 0.02 0.40 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.32 1xd3 s LEU 15 N 0.71 2.30 -0.33 4.42 1.43 -0.60 -5.00 118.68 121.61 1xd3 s LEU 15 Ca 0.07 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 1xd3 s LEU 15 Cb -0.12 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 1xd3 s LEU 15 CO 0.01 0.20 0.20 -1.61 0.23 0.00 0.00 176.35 175.38 1xd3 s GLU 16 N -1.84 3.33 0.37 1.70 0.41 -1.26 -2.02 118.70 119.38 1xd3 s GLU 16 Ca 0.14 -0.74 0.05 0.00 -0.41 0.00 0.00 54.97 54.00 1xd3 s GLU 16 Cb -0.10 -3.69 -0.03 0.00 -1.78 0.00 0.00 34.13 28.53 1xd3 s GLU 16 CO 0.05 -0.47 0.18 0.14 -0.49 0.00 0.00 175.26 174.68 1xd3 s VAL 17 N 1.65 0.35 0.07 2.63 -7.23 0.25 -4.96 120.40 113.15 1xd3 s VAL 17 Ca 0.05 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.27 1xd3 s VAL 17 Cb -0.17 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 1xd3 s VAL 17 CO 0.08 0.00 -0.13 -1.61 -0.31 0.00 0.00 175.10 173.13 1xd3 s GLU 18 N -3.63 0.78 0.52 4.82 0.41 -1.26 -1.38 118.70 118.95 1xd3 s GLU 18 Ca 0.31 -0.91 0.27 0.00 -0.41 0.00 0.00 54.97 54.22 1xd3 s GLU 18 Cb 0.03 -0.76 1.39 0.00 -1.78 0.00 0.00 34.13 33.01 1xd3 s GLU 18 CO 0.19 0.17 1.94 -1.35 -0.49 0.00 0.00 175.26 175.72 1xd3 h PRO 19 N 4.36 0.05 0.00 0.39 0.11 -1.97 0.93 132.00 135.86 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 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xd3 h PRO 19 CO 0.40 0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 177.10 1xd3 n SER 20 N -4.35 0.00 -4.76 -2.05 3.41 -1.26 -1.33 113.62 103.28 1xd3 n SER 20 Ca 0.14 0.43 -0.41 0.00 -0.26 0.00 0.00 58.87 58.77 1xd3 n SER 20 Cb 0.74 -0.48 -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 -2.95 6.55 0.52 4.04 1.01 0.32 -4.78 116.67 121.38 1xd3 s ASP 21 Ca 0.14 2.83 -0.06 0.00 0.71 0.00 0.00 52.55 56.17 1xd3 s ASP 21 Cb 0.17 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1xd3 s ASP 21 CO 0.47 -0.74 0.84 0.42 0.21 0.00 0.00 175.17 176.36 1xd3 s THR 22 N -0.62 4.67 0.38 -1.27 -4.23 -1.26 -1.25 115.64 112.06 1xd3 s THR 22 Ca 0.55 0.26 0.07 0.00 -1.18 0.00 0.00 61.69 61.39 1xd3 s THR 22 Cb -0.44 -3.80 0.29 0.00 1.34 0.00 0.00 72.50 69.90 1xd3 s THR 22 CO 0.52 -0.83 1.99 0.40 -0.54 0.00 0.00 174.62 176.16 1xd3 h ILE 23 N 0.08 1.03 -0.62 2.99 1.08 -1.01 0.30 117.51 121.36 1xd3 h ILE 23 Ca -0.46 -0.23 0.01 0.00 -0.39 0.00 0.00 64.86 63.79 1xd3 h ILE 23 Cb 1.21 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 1xd3 h ILE 23 CO 0.62 0.12 0.40 -0.08 -0.69 0.00 0.00 178.15 178.52 1xd3 h GLU 24 N 0.68 0.78 -0.71 2.37 4.81 -1.73 -0.52 114.58 120.25 1xd3 h GLU 24 Ca 0.27 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1xd3 h GLU 24 Cb 0.21 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1xd3 h GLU 24 CO -0.08 0.52 0.21 -0.91 -0.73 0.00 0.00 179.01 178.01 1xd3 h ASN 25 N 0.80 1.03 -0.58 1.04 2.35 -1.28 -1.93 115.58 117.01 1xd3 h ASN 25 Ca 0.23 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1xd3 h ASN 25 Cb -0.06 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.02 1xd3 h ASN 25 CO -0.07 0.97 0.21 0.58 -1.65 0.00 0.00 177.43 177.47 1xd3 h VAL 26 N 1.05 1.23 -0.83 2.81 2.07 -0.68 -1.83 116.25 120.08 1xd3 h VAL 26 Ca 0.23 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1xd3 h VAL 26 Cb 0.31 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1xd3 h VAL 26 CO -0.01 0.29 0.43 0.11 0.02 0.00 0.00 177.57 178.42 1xd3 h LYS 27 N 0.81 1.16 -0.56 1.57 1.57 -0.81 -1.29 116.57 119.03 1xd3 h LYS 27 Ca 0.19 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1xd3 h LYS 27 Cb 0.24 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1xd3 h LYS 27 CO -0.01 0.86 0.14 0.00 -0.57 0.00 0.00 179.45 179.87 1xd3 h ALA 28 N 1.31 1.19 -0.28 3.86 0.00 -0.96 -0.61 119.26 123.78 1xd3 h ALA 28 Ca 0.29 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1xd3 h ALA 28 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1xd3 h ALA 28 CO -0.04 0.55 -0.21 0.87 0.00 0.00 0.00 179.25 180.42 1xd3 h LYS 29 N 0.83 0.51 -0.23 0.00 1.57 -0.61 -1.49 116.57 117.15 1xd3 h LYS 29 Ca 0.18 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 1xd3 h LYS 29 Cb 0.29 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1xd3 h LYS 29 CO -0.00 0.69 -0.38 0.82 -0.57 0.00 0.00 179.45 180.01 1xd3 h ILE 30 N 0.46 1.30 -0.45 1.86 2.04 -0.57 -2.44 117.51 119.71 1xd3 h ILE 30 Ca 0.07 -1.53 -0.06 0.00 1.00 0.00 0.00 64.86 64.35 1xd3 h ILE 30 Cb 0.62 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1xd3 h ILE 30 CO 0.04 0.48 0.07 -0.61 0.00 0.00 0.00 178.15 178.13 1xd3 h GLN 31 N 0.44 0.76 -0.36 2.37 4.15 -0.67 0.17 115.11 121.97 1xd3 h GLN 31 Ca 0.04 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 1xd3 h GLN 31 Cb 0.86 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.45 1xd3 h GLN 31 CO 0.07 0.78 0.10 -0.44 -1.93 0.00 0.00 178.83 177.41 1xd3 h ASP 32 N 0.62 0.47 0.28 -0.69 3.32 -1.08 0.67 116.42 120.00 1xd3 h ASP 32 Ca 0.14 -0.06 -0.34 0.00 0.02 0.00 0.00 57.03 56.79 1xd3 h ASP 32 Cb 0.39 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1xd3 h ASP 32 CO 0.01 0.46 -1.81 0.11 -1.72 0.00 0.00 179.24 176.29 1xd3 h LYS 33 N 0.51 0.23 -0.00 3.56 1.57 -1.24 -3.41 116.57 117.79 1xd3 h LYS 33 Ca 0.12 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1xd3 h LYS 33 Cb 0.18 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1xd3 h LYS 33 CO -0.01 1.07 -0.34 0.39 -0.57 0.00 0.00 179.45 179.99 1xd3 n GLU 34 N -3.41 4.48 -1.01 3.15 -0.58 0.57 -5.01 120.64 118.83 1xd3 n GLU 34 Ca -0.25 -0.02 -0.00 0.00 -0.42 0.00 0.00 57.16 56.47 1xd3 n GLU 34 Cb 1.05 -0.85 -0.00 0.00 -0.57 0.00 0.00 31.44 31.07 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 1.16 0.45 3.64 0.62 0.00 0.23 -5.00 105.19 106.29 1xd3 n GLY 35 Ca 0.01 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.88 4.90 0.43 -0.61 1.01 -1.26 -4.99 121.20 118.80 1xd3 s ILE 36 Ca 0.00 1.41 -0.26 0.00 0.00 0.00 0.00 60.65 61.80 1xd3 s ILE 36 Cb 0.00 -4.05 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 1xd3 s ILE 36 CO 0.00 -0.03 1.42 -2.65 0.00 0.00 0.00 174.94 173.69 1xd3 n PRO 37 N 5.81 2.30 -0.21 2.79 -0.02 -1.26 -3.90 135.00 140.52 1xd3 n PRO 37 Ca 0.03 0.82 0.09 0.00 -2.02 0.00 0.00 63.50 62.42 1xd3 n PRO 37 Cb 0.48 -2.60 0.37 0.00 -0.02 0.00 0.00 33.50 31.74 1xd3 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1xd3 h PRO 38 N 2.41 0.68 0.00 0.52 0.11 -1.96 -1.98 132.00 131.78 1xd3 h PRO 38 Ca -0.50 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 1xd3 h PRO 38 Cb 1.27 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xd3 h PRO 38 CO 0.61 0.45 -0.02 0.38 -0.21 0.00 0.00 178.00 179.21 1xd3 h ASP 39 N 0.71 0.00 0.05 -2.05 2.03 -1.98 0.12 116.42 115.29 1xd3 h ASP 39 Ca 0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 1xd3 h ASP 39 Cb 0.46 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 1xd3 h ASP 39 CO -0.14 0.02 -0.08 0.00 -1.03 0.00 0.00 179.24 178.02 1xd3 n GLN 40 N -3.31 1.49 -3.82 4.15 6.02 -0.75 -4.82 117.38 116.33 1xd3 n GLN 40 Ca -0.02 -0.91 -0.36 0.00 -0.01 0.00 0.00 57.00 55.71 1xd3 n GLN 40 Cb 0.15 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 29.85 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 -2.14 3.92 -0.18 -1.09 -0.21 0.03 0.48 119.66 120.46 1xd3 s GLN 41 Ca 0.33 -0.21 0.00 0.00 0.02 0.00 0.00 55.36 55.50 1xd3 s GLN 41 Cb 0.20 -3.31 0.04 0.00 1.00 0.00 0.00 33.01 30.94 1xd3 s GLN 41 CO 0.38 0.45 -0.07 0.50 -2.12 0.00 0.00 175.29 174.43 1xd3 s ARG 42 N -0.08 1.69 -0.03 2.91 6.06 -0.37 -4.94 118.95 124.20 1xd3 s ARG 42 Ca 0.10 -0.68 -0.06 0.00 -2.50 0.00 0.00 55.73 52.59 1xd3 s ARG 42 Cb -0.11 -2.21 -0.04 0.00 0.06 0.00 0.00 34.95 32.64 1xd3 s ARG 42 CO 0.00 -0.44 0.22 -0.51 -2.50 0.00 0.00 175.30 172.07 1xd3 s LEU 43 N 1.52 4.38 -0.01 -0.88 1.43 -1.26 -0.56 118.68 123.30 1xd3 s LEU 43 Ca -0.00 0.51 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 1xd3 s LEU 43 Cb -0.16 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 1xd3 s LEU 43 CO -0.08 0.30 -0.13 -0.63 0.23 0.00 0.00 176.35 176.04 1xd3 s ILE 44 N -1.22 1.04 -0.10 -0.59 -1.09 0.49 -1.23 121.20 118.50 1xd3 s ILE 44 Ca 0.24 -0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 58.09 1xd3 s ILE 44 Cb -0.13 -0.87 0.03 0.00 -1.58 0.00 0.00 42.46 39.91 1xd3 s ILE 44 CO 0.13 0.30 -0.02 0.12 -1.23 0.00 0.00 174.94 174.24 1xd3 s PHE 45 N -0.27 0.95 -1.46 3.97 5.36 -0.08 -0.74 117.98 125.72 1xd3 s PHE 45 Ca 0.04 -0.42 -0.05 0.00 -0.96 0.00 0.00 56.93 55.54 1xd3 s PHE 45 Cb -0.06 -0.96 0.04 0.00 -0.34 0.00 0.00 43.02 41.71 1xd3 s PHE 45 CO -0.00 -0.42 0.60 0.00 -1.46 0.00 0.00 175.22 173.93 1xd3 n ALA 46 N 5.07 -1.79 -0.92 11.12 0.00 -1.26 -1.08 120.51 131.65 1xd3 n ALA 46 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1xd3 n ALA 46 Cb 0.50 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 -1.78 1.11 3.62 0.00 0.00 -1.26 -5.02 105.19 101.85 1xd3 n GLY 47 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1xd3 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xd3 s LYS 48 N -0.02 3.40 0.16 1.61 2.20 -0.24 -5.08 119.74 121.77 1xd3 s LYS 48 Ca 0.00 -0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 54.88 1xd3 s LYS 48 Cb 0.00 -2.92 -0.07 0.00 -1.51 0.00 0.00 37.83 33.33 1xd3 s LYS 48 CO 0.00 0.47 1.17 -0.65 -0.36 0.00 0.00 175.35 175.98 1xd3 s GLN 49 N -0.24 4.51 -0.13 4.03 -0.21 -1.26 -0.91 119.66 125.46 1xd3 s GLN 49 Ca 0.06 1.81 -0.08 0.00 0.02 0.00 0.00 55.36 57.17 1xd3 s GLN 49 Cb -0.12 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.57 1xd3 s GLN 49 CO 0.02 -0.08 0.16 -0.51 -2.12 0.00 0.00 175.29 172.76 1xd3 s LEU 50 N -0.04 4.37 -0.12 2.90 1.43 -0.36 -4.93 118.68 121.92 1xd3 s LEU 50 Ca 0.53 0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 54.03 1xd3 s LEU 50 Cb -0.31 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1xd3 s LEU 50 CO 0.35 0.36 0.10 -1.61 0.23 0.00 0.00 176.35 175.78 1xd3 s GLU 51 N -0.80 3.40 0.30 1.70 0.41 -1.26 -4.63 118.70 117.82 1xd3 s GLU 51 Ca 0.15 -0.21 0.04 0.00 -0.41 0.00 0.00 54.97 54.53 1xd3 s GLU 51 Cb -0.12 -3.11 0.78 0.00 -1.78 0.00 0.00 34.13 29.90 1xd3 s GLU 51 CO 0.04 0.71 1.62 -0.44 -0.49 0.00 0.00 175.26 176.69 1xd3 h ASP 52 N 5.22 -0.10 0.87 -0.19 3.45 -1.98 -2.29 116.42 121.40 1xd3 h ASP 52 Ca -0.52 0.23 -0.03 0.00 0.43 0.00 0.00 57.03 57.13 1xd3 h ASP 52 Cb 1.21 0.33 -0.00 0.00 -0.56 0.00 0.00 39.33 40.30 1xd3 h ASP 52 CO 0.59 -0.24 -0.16 1.23 -1.57 0.00 0.00 179.24 179.09 1xd3 h GLY 53 N 0.13 0.00 -1.25 2.75 0.00 -1.96 -2.55 103.07 100.20 1xd3 h GLY 53 Ca 0.59 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 47.45 1xd3 h GLY 53 CO -0.74 0.00 0.26 0.50 0.00 0.00 0.00 176.54 176.56 1xd3 s ARG 54 N -3.72 2.60 0.37 4.80 0.52 -0.86 -4.84 118.95 117.82 1xd3 s ARG 54 Ca 0.00 0.01 0.08 0.00 -0.52 0.00 0.00 55.73 55.30 1xd3 s ARG 54 Cb 0.10 -2.16 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 1xd3 s ARG 54 CO 0.61 -1.01 0.27 0.95 0.02 0.00 0.00 175.30 176.14 1xd3 s THR 55 N -3.19 3.04 0.23 0.02 -4.23 -1.26 -1.29 115.64 108.96 1xd3 s THR 55 Ca 0.57 -1.47 -0.06 0.00 -1.18 0.00 0.00 61.69 59.55 1xd3 s THR 55 Cb -0.11 -3.06 0.20 0.00 1.34 0.00 0.00 72.50 70.87 1xd3 s THR 55 CO 0.47 -0.11 1.85 -0.07 -0.54 0.00 0.00 174.62 176.21 1xd3 h LEU 56 N 1.27 0.80 -0.77 4.79 3.38 -1.11 -1.42 115.31 122.25 1xd3 h LEU 56 Ca -0.43 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.59 1xd3 h LEU 56 Cb 1.26 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 1xd3 h LEU 56 CO 0.60 0.52 0.49 -1.28 0.09 0.00 0.00 178.44 178.86 1xd3 h SER 57 N 0.94 0.80 -0.88 -0.43 0.87 -1.43 0.11 113.55 113.53 1xd3 h SER 57 Ca 0.35 -0.00 0.12 0.00 -1.23 0.00 0.00 61.79 61.03 1xd3 h SER 57 Cb 0.15 -0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 61.87 1xd3 h SER 57 CO -0.16 0.55 0.57 0.44 -0.53 0.00 0.00 176.83 177.69 1xd3 h ASP 58 N 0.94 0.72 -0.44 6.23 3.45 -1.54 0.22 116.42 126.00 1xd3 h ASP 58 Ca 0.31 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.80 1xd3 h ASP 58 Cb 0.03 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 1xd3 h ASP 58 CO -0.12 0.40 0.00 -1.22 -1.57 0.00 0.00 179.24 176.73 1xd3 n TYR 59 N -4.55 0.58 -3.72 4.55 4.02 -0.73 -4.93 117.16 112.39 1xd3 n TYR 59 Ca 0.16 -0.29 -0.25 0.00 -0.01 0.00 0.00 57.90 57.51 1xd3 n TYR 59 Cb 0.39 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.76 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 0.91 -4.12 -4.55 7.72 5.15 0.77 -4.94 115.26 116.20 1xd3 n ASN 60 Ca 0.17 -0.70 -0.42 0.00 -0.60 0.00 0.00 54.58 53.02 1xd3 n ASN 60 Cb 0.42 -4.41 -0.06 0.00 -0.53 0.00 0.00 39.78 35.19 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 -3.39 4.82 0.54 -1.44 1.01 0.30 -5.00 121.20 118.05 1xd3 s ILE 61 Ca 0.41 0.38 0.08 0.00 0.00 0.00 0.00 60.65 61.53 1xd3 s ILE 61 Cb -0.20 -4.17 0.08 0.00 0.01 0.00 0.00 42.46 38.19 1xd3 s ILE 61 CO 0.78 -0.49 0.68 0.00 0.00 0.00 0.00 174.94 175.92 1xd3 n GLN 62 N 6.24 0.64 -1.67 2.79 6.02 -1.26 -4.47 117.38 125.67 1xd3 n GLN 62 Ca -0.01 -3.02 -0.43 0.00 -0.01 0.00 0.00 57.00 53.53 1xd3 n GLN 62 Cb 0.48 -0.11 -0.01 0.00 1.02 0.00 0.00 30.24 31.62 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 -2.10 1.97 -1.27 -1.09 2.85 -1.26 -2.18 118.16 115.08 1xd3 n LYS 63 Ca 0.12 0.69 -0.09 0.00 -1.05 0.00 0.00 58.31 57.98 1xd3 n LYS 63 Cb 0.57 -2.26 -0.04 0.00 -0.65 0.00 0.00 35.03 32.66 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 0.90 -1.04 -2.04 -1.58 1.02 0.18 -5.00 120.64 113.08 1xd3 n GLU 64 Ca 0.07 0.77 -0.33 0.00 -0.02 0.00 0.00 57.16 57.65 1xd3 n GLU 64 Cb 0.34 -4.81 0.01 0.00 -0.02 0.00 0.00 31.44 26.97 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 -2.59 5.69 -0.14 1.62 0.01 -0.92 -4.74 113.70 112.61 1xd3 s SER 65 Ca 0.00 1.88 -0.01 0.00 1.31 0.00 0.00 55.95 59.13 1xd3 s SER 65 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1xd3 s SER 65 CO 0.00 -1.23 -0.11 -0.89 0.41 0.00 0.00 173.24 171.41 1xd3 s THR 66 N -2.36 3.17 0.25 1.44 2.01 -1.26 -0.84 115.64 118.05 1xd3 s THR 66 Ca 0.65 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 62.12 1xd3 s THR 66 Cb -0.17 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 1xd3 s THR 66 CO 0.36 0.51 0.07 -0.76 -0.69 0.00 0.00 174.62 174.11 1xd3 s LEU 67 N 0.47 3.43 -0.09 4.42 1.43 0.12 -4.67 118.68 123.80 1xd3 s LEU 67 Ca -0.08 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1xd3 s LEU 67 Cb -0.15 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 1xd3 s LEU 67 CO 0.04 -0.00 -0.16 -1.00 0.23 0.00 0.00 176.35 175.46 1xd3 s HIS 68 N -2.20 2.69 -0.23 0.29 3.76 0.08 -0.92 115.29 118.77 1xd3 s HIS 68 Ca 0.32 -0.51 -0.06 0.00 -0.15 0.00 0.00 55.06 54.65 1xd3 s HIS 68 Cb -0.07 -1.72 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 1xd3 s HIS 68 CO 0.22 -0.09 0.03 -1.17 -0.85 0.00 0.00 174.74 172.88 1xd3 s LEU 69 N -0.11 3.31 -0.12 0.89 2.96 0.35 -0.38 118.68 125.59 1xd3 s LEU 69 Ca -0.03 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1xd3 s LEU 69 Cb -0.14 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1xd3 s LEU 69 CO 0.04 -0.00 0.03 -0.69 -1.32 0.00 0.00 176.35 174.40 1xd3 s VAL 70 N 1.40 4.50 -0.25 1.68 1.01 0.28 -3.90 120.40 125.11 1xd3 s VAL 70 Ca 0.05 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 1xd3 s VAL 70 Cb -0.15 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1xd3 s VAL 70 CO 0.02 0.57 0.11 -0.76 0.00 0.00 0.00 175.10 175.04 1xd3 s LEU 71 N -0.50 3.69 -1.24 3.92 1.43 -1.26 -1.23 118.68 123.48 1xd3 s LEU 71 Ca 0.09 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 1xd3 s LEU 71 Cb -0.12 -2.00 0.15 0.00 0.03 0.00 0.00 46.19 44.25 1xd3 s LEU 71 CO 0.02 -0.02 1.58 0.54 0.23 0.00 0.00 176.35 178.70 1xd3 n ARG 72 N 4.85 3.38 -3.68 1.70 5.12 0.18 -4.97 116.66 123.23 1xd3 n ARG 72 Ca -0.15 -3.68 -0.24 0.00 -1.93 0.00 0.00 57.85 51.84 1xd3 n ARG 72 Cb 0.52 -3.09 -0.02 0.00 -1.16 0.00 0.00 32.46 28.71 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 1.64 4.19 -0.17 0.55 1.43 -1.26 -4.65 118.68 120.40 1xd3 s LEU 73 Ca 0.44 0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.82 1xd3 s LEU 73 Cb 0.01 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 1xd3 s LEU 73 CO 0.01 -0.13 -0.03 -0.13 0.23 0.00 0.00 176.35 176.30 1xd3 s ARG 74 N -3.84 3.63 0.00 1.70 0.52 -1.26 -5.21 118.95 114.49 1xd3 s ARG 74 Ca 0.38 -0.53 0.10 0.00 -0.52 0.00 0.00 55.73 55.15 1xd3 s ARG 74 Cb -0.10 -2.95 0.08 0.00 0.52 0.00 0.00 34.95 32.50 1xd3 s ARG 74 CO 0.31 0.16 0.82 0.41 0.02 0.00 0.00 175.30 177.02