#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wx0 s GLN 2 N 0.00 4.15 0.23 3.17 -0.21 -1.26 -1.09 119.66 124.65 2wx0 s GLN 2 Ca 0.00 0.13 0.08 0.00 0.02 0.00 0.00 55.36 55.59 2wx0 s GLN 2 Cb 0.00 -3.38 -0.05 0.00 1.00 0.00 0.00 33.01 30.58 2wx0 s GLN 2 CO 0.00 0.33 -0.12 0.96 -2.12 0.00 0.00 175.29 174.34 2wx0 s ILE 3 N 0.16 1.78 0.07 1.08 -4.36 -1.00 0.53 121.20 119.46 2wx0 s ILE 3 Ca 0.18 -2.20 0.08 0.00 -0.26 0.00 0.00 60.65 58.44 2wx0 s ILE 3 Cb -0.13 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 41.35 2wx0 s ILE 3 CO 0.05 -0.49 -0.18 -0.36 0.24 0.00 0.00 174.94 174.21 2wx0 s PHE 4 N -2.94 2.55 -0.21 1.37 0.08 -0.26 -0.63 117.98 117.94 2wx0 s PHE 4 Ca 0.25 -0.26 0.01 0.00 0.12 0.00 0.00 56.93 57.05 2wx0 s PHE 4 Cb 0.00 -1.42 0.03 0.00 -0.57 0.00 0.00 43.02 41.06 2wx0 s PHE 4 CO 0.09 0.30 -0.15 0.08 -0.10 0.00 0.00 175.22 175.44 2wx0 s VAL 5 N -1.01 2.31 -0.06 -0.44 1.01 0.73 -0.83 120.40 122.11 2wx0 s VAL 5 Ca 0.16 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 2wx0 s VAL 5 Cb -0.11 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2wx0 s VAL 5 CO 0.07 0.38 0.25 -0.75 0.00 0.00 0.00 175.10 175.06 2wx0 s LYS 6 N 1.28 3.63 0.30 2.72 2.20 -0.27 -0.41 119.74 129.19 2wx0 s LYS 6 Ca 0.02 0.07 0.07 0.00 -0.36 0.00 0.00 55.97 55.78 2wx0 s LYS 6 Cb -0.15 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 32.95 2wx0 s LYS 6 CO -0.10 0.73 0.23 0.95 -0.36 0.00 0.00 175.35 176.81 2wx0 s THR 7 N -1.08 3.85 -1.36 3.43 -4.23 0.07 -0.84 115.64 115.48 2wx0 s THR 7 Ca 0.20 -1.43 0.05 0.00 -1.18 0.00 0.00 61.69 59.32 2wx0 s THR 7 Cb -0.14 -3.24 0.08 0.00 1.34 0.00 0.00 72.50 70.55 2wx0 s THR 7 CO 0.09 -0.25 1.03 0.18 -0.54 0.00 0.00 174.62 175.12 2wx0 n LEU 8 N -1.26 0.00 -0.81 4.79 4.32 -1.25 -0.98 117.00 121.82 2wx0 n LEU 8 Ca -0.04 0.32 0.09 0.00 -0.02 0.00 0.00 56.01 56.35 2wx0 n LEU 8 Cb 0.59 -0.32 0.12 0.00 -1.62 0.00 0.00 43.42 42.20 2wx0 n LEU 8 CO 0.43 -0.26 0.58 0.35 -1.22 0.00 0.00 177.39 177.27 2wx0 n THR 9 N -1.32 0.28 0.00 -5.08 -2.24 -1.26 -4.97 114.28 99.69 2wx0 n THR 9 Ca 0.02 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2wx0 n THR 9 Cb 0.04 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 2wx0 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wx0 n GLY 10 N 1.05 1.69 3.75 3.38 0.00 -0.15 -5.03 105.19 109.87 2wx0 n GLY 10 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2wx0 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wx0 s LYS 11 N -0.88 4.24 -0.23 1.61 2.20 -1.26 -4.74 119.74 120.68 2wx0 s LYS 11 Ca 0.00 2.36 -0.03 0.00 -0.36 0.00 0.00 55.97 57.95 2wx0 s LYS 11 Cb 0.00 -3.07 0.01 0.00 -1.51 0.00 0.00 37.83 33.25 2wx0 s LYS 11 CO 0.00 -0.43 -0.07 0.99 -0.36 0.00 0.00 175.35 175.48 2wx0 s THR 12 N -0.28 3.06 -0.11 3.43 2.01 -1.26 -0.75 115.64 121.73 2wx0 s THR 12 Ca 0.58 -0.72 -0.07 0.00 0.31 0.00 0.00 61.69 61.80 2wx0 s THR 12 Cb -0.43 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 2wx0 s THR 12 CO 0.47 0.36 0.13 -0.63 -0.69 0.00 0.00 174.62 174.27 2wx0 s ILE 13 N 1.41 5.43 -0.18 1.82 1.01 0.45 -4.92 121.20 126.22 2wx0 s ILE 13 Ca 0.04 0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.81 2wx0 s ILE 13 Cb -0.15 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 2wx0 s ILE 13 CO -0.05 0.61 0.00 -0.89 0.00 0.00 0.00 174.94 174.61 2wx0 s THR 14 N -1.03 4.15 0.22 2.92 2.01 -1.26 -0.19 115.64 122.45 2wx0 s THR 14 Ca 0.15 -0.26 0.11 0.00 0.31 0.00 0.00 61.69 62.01 2wx0 s THR 14 Cb -0.12 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 2wx0 s THR 14 CO 0.04 0.46 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.48 2wx0 s LEU 15 N 0.54 2.57 -0.26 4.42 1.43 0.20 -5.00 118.68 122.58 2wx0 s LEU 15 Ca -0.01 -0.86 -0.03 0.00 -1.03 0.00 0.00 54.13 52.20 2wx0 s LEU 15 Cb -0.14 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 44.86 2wx0 s LEU 15 CO 0.02 0.09 -0.01 -0.70 0.23 0.00 0.00 176.35 175.98 2wx0 s GLU 16 N -2.94 2.97 0.23 1.70 2.56 -1.26 -2.37 118.70 119.60 2wx0 s GLU 16 Ca 0.24 -0.90 0.00 0.00 0.00 0.00 0.00 54.97 54.31 2wx0 s GLU 16 Cb -0.07 -3.11 -0.05 0.00 2.00 0.00 0.00 34.13 32.90 2wx0 s GLU 16 CO 0.12 -0.39 0.12 0.14 -0.56 0.00 0.00 175.26 174.69 2wx0 s VAL 17 N 1.40 0.28 0.23 3.70 -7.23 -0.25 -4.96 120.40 113.57 2wx0 s VAL 17 Ca 0.02 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.30 2wx0 s VAL 17 Cb -0.17 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 2wx0 s VAL 17 CO -0.02 0.00 -0.19 -1.61 -0.31 0.00 0.00 175.10 172.97 2wx0 s GLU 18 N -4.07 1.71 0.63 4.82 0.41 -1.26 -0.69 118.70 120.24 2wx0 s GLU 18 Ca 0.38 -1.56 0.38 0.00 -0.41 0.00 0.00 54.97 53.77 2wx0 s GLU 18 Cb 0.07 -1.89 2.15 0.00 -1.78 0.00 0.00 34.13 32.68 2wx0 s GLU 18 CO 0.13 0.38 2.31 -1.35 -0.49 0.00 0.00 175.26 176.24 2wx0 h PRO 19 N 2.75 0.00 0.00 0.39 0.11 -1.96 -2.31 132.00 130.98 2wx0 h PRO 19 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2wx0 h PRO 19 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wx0 h PRO 19 CO 0.54 0.01 -0.48 0.66 -0.21 0.00 0.00 178.00 178.51 2wx0 h SER 20 N 0.00 0.00 -2.59 -2.05 4.64 -1.95 -0.98 113.55 110.61 2wx0 h SER 20 Ca -0.00 -0.10 -0.60 0.00 -0.47 0.00 0.00 61.79 60.62 2wx0 h SER 20 Cb 0.03 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.21 2wx0 h SER 20 CO 0.00 0.05 0.47 0.47 -0.87 0.00 0.00 176.83 176.96 2wx0 n ASP 21 N -2.37 2.30 -4.41 4.97 8.00 -0.87 -4.64 116.55 119.53 2wx0 n ASP 21 Ca 0.03 1.16 -0.29 0.00 0.71 0.00 0.00 54.79 56.40 2wx0 n ASP 21 Cb 0.47 -1.38 0.17 0.00 -0.02 0.00 0.00 41.12 40.37 2wx0 n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2wx0 s THR 22 N -0.35 1.90 0.07 -3.53 -4.23 -1.26 -1.02 115.64 107.22 2wx0 s THR 22 Ca 0.66 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 61.01 2wx0 s THR 22 Cb -0.68 -2.72 -0.13 0.00 1.34 0.00 0.00 72.50 70.30 2wx0 s THR 22 CO 0.53 0.00 1.33 0.40 -0.54 0.00 0.00 174.62 176.34 2wx0 h ILE 23 N -1.82 1.33 -0.97 2.99 1.08 -1.21 -2.47 117.51 116.44 2wx0 h ILE 23 Ca -0.48 -1.62 0.16 0.00 -0.39 0.00 0.00 64.86 62.53 2wx0 h ILE 23 Cb 1.30 1.89 -0.10 0.00 -3.07 0.00 0.00 36.82 36.85 2wx0 h ILE 23 CO 0.50 0.50 0.58 -0.08 -0.69 0.00 0.00 178.15 178.96 2wx0 h GLU 24 N 0.26 0.78 -0.34 2.37 4.22 -1.76 0.54 114.58 120.66 2wx0 h GLU 24 Ca 0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.37 2wx0 h GLU 24 Cb 0.99 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2wx0 h GLU 24 CO 0.09 0.52 0.07 -0.97 -2.18 0.00 0.00 179.01 176.53 2wx0 h ASN 25 N 0.81 0.45 -0.17 1.04 -1.24 -1.78 -1.54 115.58 113.14 2wx0 h ASN 25 Ca 0.53 -0.06 -0.22 0.00 0.71 0.00 0.00 56.30 57.26 2wx0 h ASN 25 Cb 0.72 -0.12 0.01 0.00 0.73 0.00 0.00 38.32 39.66 2wx0 h ASN 25 CO -0.34 0.47 -0.76 0.58 -1.29 0.00 0.00 177.43 176.09 2wx0 h VAL 26 N 0.48 1.27 -0.89 2.57 2.07 -0.52 -3.02 116.25 118.22 2wx0 h VAL 26 Ca 0.11 -1.94 0.08 0.00 0.82 0.00 0.00 66.70 65.77 2wx0 h VAL 26 Cb 0.21 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 2wx0 h VAL 26 CO -0.00 0.62 0.58 0.11 0.02 0.00 0.00 177.57 178.90 2wx0 h LYS 27 N 0.56 0.93 -0.39 1.57 1.57 -0.36 -1.53 116.57 118.92 2wx0 h LYS 27 Ca -0.05 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2wx0 h LYS 27 Cb 1.39 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 2wx0 h LYS 27 CO 0.16 0.62 0.17 0.00 -0.57 0.00 0.00 179.45 179.83 2wx0 h ALA 28 N 1.53 0.51 -0.48 3.86 0.00 -1.25 0.19 119.26 123.62 2wx0 h ALA 28 Ca 0.39 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2wx0 h ALA 28 Cb 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2wx0 h ALA 28 CO -0.16 0.09 0.32 0.87 0.00 0.00 0.00 179.25 180.38 2wx0 h LYS 29 N 0.49 0.61 -0.12 0.00 1.57 -1.25 0.15 116.57 118.02 2wx0 h LYS 29 Ca 0.13 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 2wx0 h LYS 29 Cb 0.16 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2wx0 h LYS 29 CO -0.01 0.40 -0.53 0.82 -0.57 0.00 0.00 179.45 179.56 2wx0 h ILE 30 N 0.63 1.35 -0.35 1.86 2.04 -0.77 -1.37 117.51 120.89 2wx0 h ILE 30 Ca 0.18 -1.80 -0.08 0.00 1.00 0.00 0.00 64.86 64.15 2wx0 h ILE 30 Cb -0.04 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2wx0 h ILE 30 CO -0.04 0.54 -0.14 -0.61 0.00 0.00 0.00 178.15 177.91 2wx0 h GLN 31 N 0.27 0.61 -0.24 2.37 4.15 0.57 0.42 115.11 123.26 2wx0 h GLN 31 Ca 0.01 -0.20 -0.12 0.00 0.77 0.00 0.00 58.65 59.11 2wx0 h GLN 31 Cb 1.03 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 2wx0 h GLN 31 CO 0.09 0.73 -0.34 -0.44 -1.93 0.00 0.00 178.83 176.94 2wx0 h ASP 32 N 0.56 0.54 0.21 -0.69 3.45 -0.36 0.79 116.42 120.91 2wx0 h ASP 32 Ca 0.10 -0.22 -0.32 0.00 0.43 0.00 0.00 57.03 57.03 2wx0 h ASP 32 Cb 0.56 -0.15 0.02 0.00 -0.56 0.00 0.00 39.33 39.20 2wx0 h ASP 32 CO 0.04 0.84 -1.47 0.11 -1.57 0.00 0.00 179.24 177.19 2wx0 h LYS 33 N 0.44 0.44 0.00 3.56 6.56 -1.06 -3.41 116.57 123.10 2wx0 h LYS 33 Ca 0.05 -0.75 0.00 0.00 -1.06 0.00 0.00 60.65 58.89 2wx0 h LYS 33 Cb 0.81 0.28 0.00 0.00 -0.57 0.00 0.00 32.23 32.75 2wx0 h LYS 33 CO 0.07 1.36 0.00 0.39 -2.06 0.00 0.00 179.45 179.20 2wx0 n GLU 34 N -3.76 3.59 -2.76 3.15 -0.58 0.12 -5.02 120.64 115.38 2wx0 n GLU 34 Ca -0.20 -0.21 -0.14 0.00 -0.42 0.00 0.00 57.16 56.19 2wx0 n GLU 34 Cb 1.04 -0.71 0.02 0.00 -0.57 0.00 0.00 31.44 31.23 2wx0 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wx0 n GLY 35 N 0.57 -0.09 3.46 0.62 0.00 0.27 -5.00 105.19 105.03 2wx0 n GLY 35 Ca 0.00 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 2wx0 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wx0 s ILE 36 N -2.95 4.59 0.31 -0.61 -1.09 -1.26 -5.01 121.20 115.18 2wx0 s ILE 36 Ca 0.20 -0.27 -0.29 0.00 -2.23 0.00 0.00 60.65 58.06 2wx0 s ILE 36 Cb -0.09 -3.26 -0.13 0.00 -1.58 0.00 0.00 42.46 37.41 2wx0 s ILE 36 CO 0.25 0.18 1.26 -2.65 -1.23 0.00 0.00 174.94 172.75 2wx0 n PRO 37 N 4.97 1.95 -0.06 2.79 -0.02 -1.26 -4.02 135.00 139.34 2wx0 n PRO 37 Ca -0.15 0.68 0.11 0.00 -2.02 0.00 0.00 63.50 62.13 2wx0 n PRO 37 Cb 0.50 -2.24 0.50 0.00 -0.02 0.00 0.00 33.50 32.24 2wx0 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2wx0 h PRO 38 N 2.81 0.39 0.00 0.52 0.11 -1.96 -0.41 132.00 133.46 2wx0 h PRO 38 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2wx0 h PRO 38 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wx0 h PRO 38 CO 0.65 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.30 2wx0 n ASP 39 N -4.47 0.55 -0.56 -2.05 5.75 -1.26 -2.04 116.55 112.46 2wx0 n ASP 39 Ca 0.09 0.63 0.13 0.00 -0.01 0.00 0.00 54.79 55.63 2wx0 n ASP 39 Cb 0.34 -0.75 0.35 0.00 -1.03 0.00 0.00 41.12 40.03 2wx0 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wx0 n GLN 40 N -2.10 1.65 -4.24 0.11 6.02 -0.17 -4.90 117.38 113.77 2wx0 n GLN 40 Ca 0.03 -1.13 -0.34 0.00 -0.01 0.00 0.00 57.00 55.54 2wx0 n GLN 40 Cb 0.23 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 2wx0 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2wx0 s GLN 41 N -2.12 3.62 -0.14 -1.09 -0.21 -0.87 -1.46 119.66 117.39 2wx0 s GLN 41 Ca 0.32 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.28 2wx0 s GLN 41 Cb 0.20 -3.00 -0.00 0.00 1.00 0.00 0.00 33.01 31.21 2wx0 s GLN 41 CO 0.38 0.37 -0.16 1.03 -2.12 0.00 0.00 175.29 174.80 2wx0 s ARG 42 N 0.04 3.24 -0.19 2.91 0.52 0.85 -4.93 118.95 121.39 2wx0 s ARG 42 Ca 0.03 -0.75 -0.04 0.00 -0.52 0.00 0.00 55.73 54.45 2wx0 s ARG 42 Cb -0.13 -2.60 -0.02 0.00 0.52 0.00 0.00 34.95 32.72 2wx0 s ARG 42 CO 0.02 0.07 -0.03 -0.51 0.02 0.00 0.00 175.30 174.87 2wx0 s LEU 43 N 0.67 3.12 -0.09 2.53 1.43 -1.26 -0.38 118.68 124.71 2wx0 s LEU 43 Ca -0.08 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2wx0 s LEU 43 Cb -0.16 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 2wx0 s LEU 43 CO 0.02 0.07 -0.10 -0.63 0.23 0.00 0.00 176.35 175.94 2wx0 s ILE 44 N 0.94 3.39 -0.09 -0.59 -1.09 0.81 -0.89 121.20 123.67 2wx0 s ILE 44 Ca 0.00 -0.58 -0.05 0.00 -2.23 0.00 0.00 60.65 57.80 2wx0 s ILE 44 Cb -0.14 -2.39 0.04 0.00 -1.58 0.00 0.00 42.46 38.39 2wx0 s ILE 44 CO 0.01 0.57 0.21 0.12 -1.23 0.00 0.00 174.94 174.62 2wx0 s PHE 45 N -0.40 -0.27 -1.44 3.97 5.36 0.32 0.11 117.98 125.63 2wx0 s PHE 45 Ca 0.05 0.68 -0.06 0.00 -0.96 0.00 0.00 56.93 56.64 2wx0 s PHE 45 Cb -0.12 0.01 0.04 0.00 -0.34 0.00 0.00 43.02 42.61 2wx0 s PHE 45 CO 0.02 -0.21 0.72 0.00 -1.46 0.00 0.00 175.22 174.29 2wx0 n ALA 46 N 4.15 -1.72 0.00 11.12 0.00 -1.26 -0.72 120.51 132.08 2wx0 n ALA 46 Ca -0.25 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2wx0 n ALA 46 Cb 0.53 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.25 2wx0 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wx0 n GLY 47 N -1.70 2.63 3.69 0.00 0.00 -1.26 -5.01 105.19 103.54 2wx0 n GLY 47 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 2wx0 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wx0 s LYS 48 N -0.26 2.70 -0.12 1.61 -0.14 0.10 -5.09 119.74 118.53 2wx0 s LYS 48 Ca 0.00 -0.70 -0.20 0.00 -1.36 0.00 0.00 55.97 53.71 2wx0 s LYS 48 Cb 0.00 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.49 2wx0 s LYS 48 CO 0.00 0.59 0.56 -1.14 -0.76 0.00 0.00 175.35 174.60 2wx0 s GLN 49 N -1.87 4.33 0.04 1.68 0.74 -1.26 -0.52 119.66 122.80 2wx0 s GLN 49 Ca 0.22 0.58 -0.21 0.00 0.05 0.00 0.00 55.36 56.00 2wx0 s GLN 49 Cb -0.12 -3.47 -0.06 0.00 1.10 0.00 0.00 33.01 30.46 2wx0 s GLN 49 CO 0.14 0.05 0.62 -0.51 -0.55 0.00 0.00 175.29 175.03 2wx0 s LEU 50 N 0.95 4.47 -0.12 3.68 1.43 -0.07 -4.98 118.68 124.03 2wx0 s LEU 50 Ca 0.29 1.26 -0.18 0.00 -1.03 0.00 0.00 54.13 54.46 2wx0 s LEU 50 Cb -0.16 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 2wx0 s LEU 50 CO 0.12 0.15 0.49 -1.61 0.23 0.00 0.00 176.35 175.73 2wx0 s GLU 51 N -0.51 4.34 0.48 1.70 2.02 -1.26 -4.72 118.70 120.74 2wx0 s GLU 51 Ca 0.32 0.47 0.28 0.00 0.02 0.00 0.00 54.97 56.06 2wx0 s GLU 51 Cb -0.19 -3.44 1.34 0.00 0.10 0.00 0.00 34.13 31.93 2wx0 s GLU 51 CO 0.19 0.14 1.80 -0.44 0.02 0.00 0.00 175.26 176.97 2wx0 h ASP 52 N 6.76 0.21 -0.22 -0.19 3.45 -1.96 -1.62 116.42 122.85 2wx0 h ASP 52 Ca -0.41 0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.02 2wx0 h ASP 52 Cb 1.18 0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.95 2wx0 h ASP 52 CO 0.76 0.04 -0.16 1.23 -1.57 0.00 0.00 179.24 179.54 2wx0 h GLY 53 N 0.18 0.53 -1.25 2.75 0.00 -1.97 -2.73 103.07 100.58 2wx0 h GLY 53 Ca 0.56 -0.51 -0.49 0.00 0.00 0.00 0.00 47.33 46.89 2wx0 h GLY 53 CO -0.14 0.46 0.05 0.54 0.00 0.00 0.00 176.54 177.45 2wx0 n ARG 54 N -4.47 -1.32 -3.69 4.80 5.12 -0.61 -4.68 116.66 111.80 2wx0 n ARG 54 Ca -0.05 -0.34 -0.21 0.00 -1.93 0.00 0.00 57.85 55.32 2wx0 n ARG 54 Cb 0.37 -2.25 -0.04 0.00 -1.16 0.00 0.00 32.46 29.39 2wx0 n ARG 54 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2wx0 s THR 55 N -2.52 2.85 0.48 0.55 -4.23 -1.26 -1.41 115.64 110.10 2wx0 s THR 55 Ca 0.67 -1.40 0.15 0.00 -1.18 0.00 0.00 61.69 59.93 2wx0 s THR 55 Cb -0.24 -3.04 0.29 0.00 1.34 0.00 0.00 72.50 70.86 2wx0 s THR 55 CO 0.62 -0.05 2.08 -0.07 -0.54 0.00 0.00 174.62 176.66 2wx0 h LEU 56 N 1.14 0.18 -0.25 4.79 3.38 -1.06 -2.43 115.31 121.04 2wx0 h LEU 56 Ca -0.42 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 2wx0 h LEU 56 Cb 1.26 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2wx0 h LEU 56 CO 0.59 0.12 -0.44 0.77 0.09 0.00 0.00 178.44 179.57 2wx0 h SER 57 N 0.20 0.82 -0.97 -0.43 4.64 -1.44 -1.47 113.55 114.91 2wx0 h SER 57 Ca 0.11 -0.53 0.28 0.00 -0.47 0.00 0.00 61.79 61.18 2wx0 h SER 57 Cb 0.19 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.00 2wx0 h SER 57 CO -0.02 1.19 0.70 0.44 -0.87 0.00 0.00 176.83 178.27 2wx0 h ASP 58 N 0.48 0.02 -0.38 4.97 3.45 -1.73 0.24 116.42 123.47 2wx0 h ASP 58 Ca 0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.48 2wx0 h ASP 58 Cb 1.04 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.81 2wx0 h ASP 58 CO 0.10 0.01 0.00 -1.22 -1.57 0.00 0.00 179.24 176.55 2wx0 n TYR 59 N -4.26 0.49 -4.10 4.55 4.02 -1.07 -4.96 117.16 111.83 2wx0 n TYR 59 Ca 0.20 -0.26 -0.31 0.00 -0.01 0.00 0.00 57.90 57.52 2wx0 n TYR 59 Cb 1.03 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.32 2wx0 n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wx0 n ASN 60 N 1.40 -1.66 -4.61 7.72 4.13 0.85 -4.94 115.26 118.14 2wx0 n ASN 60 Ca 0.18 -1.02 -0.42 0.00 1.68 0.00 0.00 54.58 55.00 2wx0 n ASN 60 Cb 0.58 -2.83 -0.05 0.00 -1.54 0.00 0.00 39.78 35.94 2wx0 n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wx0 s ILE 61 N -3.68 4.79 0.49 2.41 1.01 -0.58 -5.04 121.20 120.62 2wx0 s ILE 61 Ca 0.35 1.16 0.02 0.00 0.00 0.00 0.00 60.65 62.18 2wx0 s ILE 61 Cb -0.19 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 2wx0 s ILE 61 CO 0.91 -0.26 0.04 -1.10 0.00 0.00 0.00 174.94 174.53 2wx0 s GLN 62 N 2.96 2.15 0.29 2.79 -0.21 -1.26 -4.64 119.66 121.73 2wx0 s GLN 62 Ca 0.32 -2.37 -0.27 0.00 0.02 0.00 0.00 55.36 53.05 2wx0 s GLN 62 Cb -0.14 -1.26 -0.14 0.00 1.00 0.00 0.00 33.01 32.46 2wx0 s GLN 62 CO 0.13 -0.43 0.86 0.36 -2.12 0.00 0.00 175.29 174.09 2wx0 n LYS 63 N -1.20 0.98 -0.79 2.91 -0.00 -1.26 -1.09 118.16 117.72 2wx0 n LYS 63 Ca -0.17 0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 2wx0 n LYS 63 Cb 0.66 -1.63 0.00 0.00 -0.00 0.00 0.00 35.03 34.06 2wx0 n LYS 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wx0 n GLU 64 N 0.75 -0.22 -1.67 -1.58 1.02 0.19 -4.98 120.64 114.14 2wx0 n GLU 64 Ca 0.12 0.05 -0.44 0.00 -0.02 0.00 0.00 57.16 56.87 2wx0 n GLU 64 Cb 0.31 -3.66 -0.02 0.00 -0.02 0.00 0.00 31.44 28.06 2wx0 n GLU 64 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2wx0 n SER 65 N -0.11 2.53 -4.42 1.62 7.64 -0.25 -4.66 113.62 115.98 2wx0 n SER 65 Ca 0.00 1.18 -0.39 0.00 1.01 0.00 0.00 58.87 60.67 2wx0 n SER 65 Cb 0.05 -1.43 -0.12 0.00 -1.01 0.00 0.00 64.21 61.71 2wx0 n SER 65 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2wx0 s THR 66 N -0.72 4.57 0.33 0.44 2.01 -1.26 -1.10 115.64 119.92 2wx0 s THR 66 Ca 0.60 -0.55 -0.09 0.00 0.31 0.00 0.00 61.69 61.96 2wx0 s THR 66 Cb -0.62 -3.40 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 2wx0 s THR 66 CO 0.57 -0.02 0.67 -0.76 -0.69 0.00 0.00 174.62 174.40 2wx0 s LEU 67 N 1.59 3.98 -0.12 4.42 1.43 -0.01 -4.87 118.68 125.10 2wx0 s LEU 67 Ca 0.04 1.01 -0.02 0.00 -1.03 0.00 0.00 54.13 54.12 2wx0 s LEU 67 Cb -0.18 -3.84 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 2wx0 s LEU 67 CO 0.06 -0.27 -0.04 -1.00 0.23 0.00 0.00 176.35 175.33 2wx0 s HIS 68 N -2.15 3.02 -0.28 0.29 3.76 0.12 -1.11 115.29 118.93 2wx0 s HIS 68 Ca 0.49 -0.13 -0.09 0.00 -0.15 0.00 0.00 55.06 55.18 2wx0 s HIS 68 Cb -0.11 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.71 2wx0 s HIS 68 CO 0.27 0.15 0.12 -1.17 -0.85 0.00 0.00 174.74 173.27 2wx0 s LEU 69 N -0.18 3.84 -0.15 0.89 2.96 -0.02 -0.13 118.68 125.89 2wx0 s LEU 69 Ca 0.03 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2wx0 s LEU 69 Cb -0.13 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 2wx0 s LEU 69 CO 0.02 -0.12 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.14 2wx0 s VAL 70 N 1.62 3.26 0.10 1.68 1.01 0.49 -3.78 120.40 124.78 2wx0 s VAL 70 Ca 0.05 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 2wx0 s VAL 70 Cb -0.16 -2.40 -0.07 0.00 0.00 0.00 0.00 36.38 33.75 2wx0 s VAL 70 CO 0.06 0.51 0.68 -0.76 0.00 0.00 0.00 175.10 175.58 2wx0 s LEU 71 N 0.48 4.54 0.00 3.92 1.43 -1.26 -0.11 118.68 127.68 2wx0 s LEU 71 Ca -0.07 1.43 0.06 0.00 -1.03 0.00 0.00 54.13 54.51 2wx0 s LEU 71 Cb -0.15 -3.10 0.05 0.00 0.03 0.00 0.00 46.19 43.02 2wx0 s LEU 71 CO 0.04 0.20 0.69 -2.11 0.23 0.00 0.00 176.35 175.40