#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 3.72 0.21 2.12 0.74 -1.26 -0.25 119.66 124.94 2wx0 s GLN 2 Ca 0.00 -0.25 0.05 0.00 0.05 0.00 0.00 55.36 55.20 2wx0 s GLN 2 Cb 0.00 -3.20 -0.05 0.00 1.10 0.00 0.00 33.01 30.86 2wx0 s GLN 2 CO 0.00 0.50 -0.06 0.96 -0.55 0.00 0.00 175.29 176.14 2wx0 s ILE 3 N -0.26 1.27 -0.07 -2.34 -4.36 -0.89 0.15 121.20 114.70 2wx0 s ILE 3 Ca 0.09 -2.08 0.05 0.00 -0.26 0.00 0.00 60.65 58.46 2wx0 s ILE 3 Cb -0.12 -2.16 -0.01 0.00 1.25 0.00 0.00 42.46 41.42 2wx0 s ILE 3 CO 0.01 -0.49 -0.24 -0.36 0.24 0.00 0.00 174.94 174.10 2wx0 s PHE 4 N -3.27 2.49 -0.21 1.37 0.40 -0.64 -1.67 117.98 116.46 2wx0 s PHE 4 Ca 0.24 -0.83 -0.02 0.00 -0.60 0.00 0.00 56.93 55.72 2wx0 s PHE 4 Cb 0.03 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.92 2wx0 s PHE 4 CO 0.06 -0.28 -0.09 0.08 0.70 0.00 0.00 175.22 175.69 2wx0 s VAL 5 N 0.01 2.98 -0.09 -0.44 1.01 -0.19 0.14 120.40 123.81 2wx0 s VAL 5 Ca -0.09 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 2wx0 s VAL 5 Cb -0.15 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2wx0 s VAL 5 CO 0.05 0.45 -0.06 -0.75 0.00 0.00 0.00 175.10 174.80 2wx0 s LYS 6 N 1.42 3.00 0.58 2.72 2.20 -0.59 -1.57 119.74 127.50 2wx0 s LYS 6 Ca 0.05 -0.53 0.06 0.00 -0.36 0.00 0.00 55.97 55.19 2wx0 s LYS 6 Cb -0.14 -2.68 0.08 0.00 -1.51 0.00 0.00 37.83 33.58 2wx0 s LYS 6 CO -0.06 0.56 0.81 0.95 -0.36 0.00 0.00 175.35 177.24 2wx0 s THR 7 N -0.51 2.34 -0.26 3.43 -4.23 -0.35 -0.79 115.64 115.28 2wx0 s THR 7 Ca 0.08 -0.86 0.28 0.00 -1.18 0.00 0.00 61.69 60.00 2wx0 s THR 7 Cb -0.12 -2.48 0.30 0.00 1.34 0.00 0.00 72.50 71.54 2wx0 s THR 7 CO 0.02 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.17 2wx0 h LEU 8 N 0.06 0.00 -0.30 4.79 5.85 -1.90 -0.51 115.31 123.29 2wx0 h LEU 8 Ca -0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2wx0 h LEU 8 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2wx0 h LEU 8 CO 0.42 0.00 -0.12 0.35 -0.34 0.00 0.00 178.44 178.76 2wx0 n THR 9 N -2.57 0.00 -0.62 1.05 -2.24 -1.26 -4.90 114.28 103.74 2wx0 n THR 9 Ca 0.02 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2wx0 n THR 9 Cb 0.26 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 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 1.27 0.84 3.72 3.38 0.00 -0.20 -5.04 105.19 109.16 2wx0 n GLY 10 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.37 4.27 -0.03 1.61 2.47 -1.26 -4.74 119.74 121.70 2wx0 s LYS 11 Ca 0.00 2.23 0.04 0.00 -1.56 0.00 0.00 55.97 56.68 2wx0 s LYS 11 Cb 0.00 -3.19 -0.03 0.00 -1.46 0.00 0.00 37.83 33.15 2wx0 s LYS 11 CO 0.00 -0.51 -0.13 0.99 0.16 0.00 0.00 175.35 175.86 2wx0 s THR 12 N 0.98 3.16 0.02 3.43 2.01 -1.26 -1.21 115.64 122.77 2wx0 s THR 12 Ca 0.66 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.92 2wx0 s THR 12 Cb -0.41 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 2wx0 s THR 12 CO 0.32 0.53 -0.09 -0.51 -0.69 0.00 0.00 174.62 174.18 2wx0 s ILE 13 N -0.81 0.68 -0.09 1.82 2.07 -0.61 -4.99 121.20 119.28 2wx0 s ILE 13 Ca 0.13 -0.66 -0.02 0.00 -1.41 0.00 0.00 60.65 58.69 2wx0 s ILE 13 Cb -0.11 -0.63 -0.03 0.00 0.13 0.00 0.00 42.46 41.82 2wx0 s ILE 13 CO 0.02 -0.02 -0.00 -0.89 -1.91 0.00 0.00 174.94 172.14 2wx0 s THR 14 N -0.64 4.29 0.05 4.00 2.01 -1.26 -1.03 115.64 123.07 2wx0 s THR 14 Ca -0.01 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 61.79 2wx0 s THR 14 Cb -0.06 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 2wx0 s THR 14 CO 0.00 0.60 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.62 2wx0 s LEU 15 N -0.87 2.20 -0.24 4.42 1.43 -0.67 -5.01 118.68 119.94 2wx0 s LEU 15 Ca 0.13 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.57 2wx0 s LEU 15 Cb -0.11 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 2wx0 s LEU 15 CO 0.02 0.03 0.39 -0.70 0.23 0.00 0.00 176.35 176.32 2wx0 s GLU 16 N -1.31 4.09 0.34 1.70 2.56 -1.26 -2.10 118.70 122.73 2wx0 s GLU 16 Ca 0.02 0.12 0.06 0.00 0.00 0.00 0.00 54.97 55.18 2wx0 s GLU 16 Cb -0.08 -3.60 -0.03 0.00 2.00 0.00 0.00 34.13 32.42 2wx0 s GLU 16 CO 0.02 -0.17 0.25 0.14 -0.56 0.00 0.00 175.26 174.93 2wx0 s VAL 17 N 1.73 0.10 -0.02 3.70 -7.23 0.66 -4.97 120.40 114.37 2wx0 s VAL 17 Ca 0.17 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 2wx0 s VAL 17 Cb -0.15 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 2wx0 s VAL 17 CO 0.09 0.00 -0.14 -0.70 -0.31 0.00 0.00 175.10 174.04 2wx0 s GLU 18 N -3.51 1.22 0.35 4.82 2.56 -1.26 -1.49 118.70 121.39 2wx0 s GLU 18 Ca 0.38 -0.48 0.13 0.00 0.00 0.00 0.00 54.97 55.00 2wx0 s GLU 18 Cb 0.02 -1.15 0.99 0.00 2.00 0.00 0.00 34.13 36.00 2wx0 s GLU 18 CO 0.25 0.25 1.73 -1.35 -0.56 0.00 0.00 175.26 175.59 2wx0 h PRO 19 N 5.99 0.47 0.00 4.30 0.11 -1.95 0.59 132.00 141.51 2wx0 h PRO 19 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2wx0 h PRO 19 Cb 1.17 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2wx0 h PRO 19 CO 0.49 0.31 0.00 -1.13 -0.21 0.00 0.00 178.00 177.46 2wx0 n SER 20 N -4.82 0.00 -4.76 -2.05 3.41 -1.26 -1.74 113.62 102.40 2wx0 n SER 20 Ca 0.27 -0.50 -0.40 0.00 -0.26 0.00 0.00 58.87 57.98 2wx0 n SER 20 Cb 0.83 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.74 2wx0 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2wx0 s ASP 21 N -1.90 7.25 0.70 4.04 1.01 0.20 -4.87 116.67 123.10 2wx0 s ASP 21 Ca 0.15 2.26 -0.10 0.00 0.71 0.00 0.00 52.55 55.57 2wx0 s ASP 21 Cb 0.07 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.40 2wx0 s ASP 21 CO 0.11 -0.17 1.06 0.42 0.21 0.00 0.00 175.17 176.80 2wx0 s THR 22 N -1.03 3.17 0.28 -1.27 -4.23 -1.26 -1.31 115.64 109.99 2wx0 s THR 22 Ca 0.45 0.22 0.05 0.00 -1.18 0.00 0.00 61.69 61.23 2wx0 s THR 22 Cb -0.32 -3.35 0.04 0.00 1.34 0.00 0.00 72.50 70.21 2wx0 s THR 22 CO 0.41 -0.43 1.69 0.40 -0.54 0.00 0.00 174.62 176.15 2wx0 h ILE 23 N -0.60 1.30 -0.56 2.99 1.08 -1.09 -1.69 117.51 118.93 2wx0 h ILE 23 Ca -0.45 -1.47 -0.02 0.00 -0.39 0.00 0.00 64.86 62.53 2wx0 h ILE 23 Cb 1.27 1.60 -0.03 0.00 -3.07 0.00 0.00 36.82 36.60 2wx0 h ILE 23 CO 0.63 0.45 0.28 -0.08 -0.69 0.00 0.00 178.15 178.74 2wx0 h GLU 24 N 0.28 0.80 -0.82 2.37 4.81 -1.72 -1.13 114.58 119.18 2wx0 h GLU 24 Ca 0.03 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2wx0 h GLU 24 Cb 0.80 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 2wx0 h GLU 24 CO 0.06 0.65 0.54 -0.91 -0.73 0.00 0.00 179.01 178.62 2wx0 h ASN 25 N 0.76 0.94 -0.27 1.04 2.35 -1.70 -0.16 115.58 118.54 2wx0 h ASN 25 Ca 0.19 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 2wx0 h ASN 25 Cb 0.11 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2wx0 h ASN 25 CO -0.03 0.68 -0.22 0.58 -1.65 0.00 0.00 177.43 176.80 2wx0 h VAL 26 N 1.11 1.27 -0.38 2.81 2.07 -0.86 -1.47 116.25 120.80 2wx0 h VAL 26 Ca 0.30 -1.32 -0.11 0.00 0.82 0.00 0.00 66.70 66.39 2wx0 h VAL 26 Cb -0.13 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2wx0 h VAL 26 CO -0.06 0.44 -0.19 0.11 0.02 0.00 0.00 177.57 177.88 2wx0 h LYS 27 N 0.65 0.80 -0.62 1.57 1.57 -0.41 -0.99 116.57 119.14 2wx0 h LYS 27 Ca 0.09 -0.35 0.12 0.00 -1.87 0.00 0.00 60.65 58.64 2wx0 h LYS 27 Cb 0.72 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.92 2wx0 h LYS 27 CO 0.06 0.98 0.12 0.00 -0.57 0.00 0.00 179.45 180.04 2wx0 h ALA 28 N 0.80 0.73 -0.79 3.86 0.00 -0.88 0.21 119.26 123.20 2wx0 h ALA 28 Ca 0.08 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2wx0 h ALA 28 Cb 0.75 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2wx0 h ALA 28 CO 0.06 -0.32 0.34 0.87 0.00 0.00 0.00 179.25 180.20 2wx0 h LYS 29 N 0.25 1.16 -0.64 0.00 1.57 -0.79 0.41 116.57 118.54 2wx0 h LYS 29 Ca 0.33 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2wx0 h LYS 29 Cb 0.50 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2wx0 h LYS 29 CO -0.42 0.93 0.07 0.82 -0.57 0.00 0.00 179.45 180.27 2wx0 h ILE 30 N 1.13 1.26 -0.26 1.86 2.04 -0.49 -0.61 117.51 122.44 2wx0 h ILE 30 Ca 0.26 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 2wx0 h ILE 30 Cb 0.18 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2wx0 h ILE 30 CO -0.03 0.40 0.14 -0.61 0.00 0.00 0.00 178.15 178.05 2wx0 h GLN 31 N 0.99 0.37 0.17 2.37 4.15 -0.06 0.59 115.11 123.70 2wx0 h GLN 31 Ca 0.19 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 2wx0 h GLN 31 Cb 0.48 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 2wx0 h GLN 31 CO 0.02 0.34 -0.13 -0.44 -1.93 0.00 0.00 178.83 176.69 2wx0 h ASP 32 N 0.31 -0.34 -0.20 -0.69 5.19 -0.76 0.40 116.42 120.33 2wx0 h ASP 32 Ca 0.09 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 2wx0 h ASP 32 Cb 0.08 0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.69 2wx0 h ASP 32 CO -0.01 -0.21 -0.11 0.50 -3.12 0.00 0.00 179.24 176.29 2wx0 h LYS 33 N -0.31 0.42 0.00 3.56 3.64 -1.02 -3.39 116.57 119.47 2wx0 h LYS 33 Ca -0.01 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2wx0 h LYS 33 Cb 0.28 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2wx0 h LYS 33 CO -0.01 0.72 -1.61 0.39 -2.27 0.00 0.00 179.45 176.67 2wx0 n GLU 34 N -4.55 0.55 -0.31 1.90 -0.58 0.21 -5.01 120.64 112.85 2wx0 n GLU 34 Ca -0.05 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 2wx0 n GLU 34 Cb 0.33 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 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 1.65 0.75 3.66 0.62 0.00 0.14 -5.00 105.19 107.00 2wx0 n GLY 35 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.68 4.74 0.25 -0.61 1.01 -1.26 -4.96 121.20 117.69 2wx0 s ILE 36 Ca 0.00 1.90 -0.31 0.00 0.00 0.00 0.00 60.65 62.24 2wx0 s ILE 36 Cb 0.00 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 38.09 2wx0 s ILE 36 CO 0.00 -0.12 1.58 -2.65 0.00 0.00 0.00 174.94 173.76 2wx0 n PRO 37 N 6.01 2.51 -0.23 2.79 -0.02 -1.26 -3.85 135.00 140.95 2wx0 n PRO 37 Ca 0.10 0.90 0.03 0.00 -2.02 0.00 0.00 63.50 62.51 2wx0 n PRO 37 Cb 0.47 -2.67 0.14 0.00 -0.02 0.00 0.00 33.50 31.42 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 5.26 0.16 0.00 0.52 0.11 -1.94 0.44 132.00 136.54 2wx0 h PRO 38 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wx0 h PRO 38 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wx0 h PRO 38 CO 0.84 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 2wx0 n ASP 39 N -5.25 0.00 -1.10 -2.05 5.75 -1.26 0.25 116.55 112.89 2wx0 n ASP 39 Ca 0.11 0.41 0.10 0.00 -0.01 0.00 0.00 54.79 55.40 2wx0 n ASP 39 Cb 0.41 -0.43 0.25 0.00 -1.03 0.00 0.00 41.12 40.33 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 -1.43 2.67 -4.02 0.11 6.02 0.14 -4.85 117.38 116.03 2wx0 n GLN 40 Ca 0.01 -2.39 -0.35 0.00 -0.01 0.00 0.00 57.00 54.25 2wx0 n GLN 40 Cb 0.03 -1.47 -0.11 0.00 1.02 0.00 0.00 30.24 29.71 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 -1.06 3.77 -0.20 -1.09 -0.21 0.14 -2.35 119.66 118.66 2wx0 s GLN 41 Ca 0.39 -0.44 -0.03 0.00 0.02 0.00 0.00 55.36 55.30 2wx0 s GLN 41 Cb 0.21 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 31.03 2wx0 s GLN 41 CO 0.28 0.09 -0.06 1.03 -2.12 0.00 0.00 175.29 174.51 2wx0 s ARG 42 N 0.85 3.42 -0.14 2.91 0.52 0.09 -4.95 118.95 121.64 2wx0 s ARG 42 Ca 0.02 -0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 54.57 2wx0 s ARG 42 Cb -0.14 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 2wx0 s ARG 42 CO 0.02 -0.07 -0.00 -0.51 0.02 0.00 0.00 175.30 174.76 2wx0 s LEU 43 N 1.14 3.47 -0.05 2.53 1.43 -1.26 -0.33 118.68 125.61 2wx0 s LEU 43 Ca 0.02 0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 2wx0 s LEU 43 Cb -0.15 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 2wx0 s LEU 43 CO -0.01 0.24 -0.22 -0.63 0.23 0.00 0.00 176.35 175.96 2wx0 s ILE 44 N -0.05 1.80 -0.09 -0.59 1.01 0.13 -0.05 121.20 123.34 2wx0 s ILE 44 Ca 0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.72 2wx0 s ILE 44 Cb -0.13 -1.52 0.05 0.00 0.01 0.00 0.00 42.46 40.87 2wx0 s ILE 44 CO 0.02 0.51 0.19 0.12 0.00 0.00 0.00 174.94 175.77 2wx0 s PHE 45 N -0.13 -0.24 -1.25 3.97 5.36 0.25 -0.41 117.98 125.53 2wx0 s PHE 45 Ca -0.02 0.70 -0.01 0.00 -0.96 0.00 0.00 56.93 56.63 2wx0 s PHE 45 Cb -0.12 -0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.36 2wx0 s PHE 45 CO 0.03 -0.29 0.95 0.00 -1.46 0.00 0.00 175.22 174.45 2wx0 n ALA 46 N 5.28 -1.91 -0.86 11.12 0.00 -1.26 -2.53 120.51 130.35 2wx0 n ALA 46 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2wx0 n ALA 46 Cb 0.50 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.22 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 -1.35 0.48 3.40 0.00 0.00 -1.26 -4.99 105.19 101.47 2wx0 n GLY 47 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.57 2.67 -0.03 1.61 -0.14 -1.05 -5.10 119.74 117.13 2wx0 s LYS 48 Ca 0.00 -0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 53.56 2wx0 s LYS 48 Cb 0.00 -2.36 -0.03 0.00 -1.68 0.00 0.00 37.83 33.76 2wx0 s LYS 48 CO 0.00 0.48 1.05 -1.14 -0.76 0.00 0.00 175.35 174.98 2wx0 s GLN 49 N -0.38 4.47 0.13 1.68 0.74 -1.26 -0.58 119.66 124.47 2wx0 s GLN 49 Ca 0.04 1.50 -0.30 0.00 0.05 0.00 0.00 55.36 56.64 2wx0 s GLN 49 Cb -0.12 -3.48 -0.07 0.00 1.10 0.00 0.00 33.01 30.44 2wx0 s GLN 49 CO 0.02 -0.21 1.16 -0.51 -0.55 0.00 0.00 175.29 175.21 2wx0 s LEU 50 N 1.46 4.43 0.01 3.68 1.43 0.92 -4.96 118.68 125.66 2wx0 s LEU 50 Ca 0.52 2.10 -0.20 0.00 -1.03 0.00 0.00 54.13 55.52 2wx0 s LEU 50 Cb -0.22 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.35 2wx0 s LEU 50 CO 0.25 -0.36 0.58 -1.61 0.23 0.00 0.00 176.35 175.44 2wx0 s GLU 51 N 0.21 4.28 0.49 1.70 2.02 -1.26 -4.71 118.70 121.43 2wx0 s GLU 51 Ca 0.54 0.72 0.28 0.00 0.02 0.00 0.00 54.97 56.53 2wx0 s GLU 51 Cb -0.30 -3.32 1.36 0.00 0.10 0.00 0.00 34.13 31.97 2wx0 s GLU 51 CO 0.33 0.44 1.82 -0.44 0.02 0.00 0.00 175.26 177.43 2wx0 h ASP 52 N 5.37 0.17 0.32 -0.19 5.19 -1.95 -1.46 116.42 123.87 2wx0 h ASP 52 Ca -0.46 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2wx0 h ASP 52 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2wx0 h ASP 52 CO 0.68 0.04 -0.48 0.61 -3.12 0.00 0.00 179.24 176.97 2wx0 n GLY 53 N -1.64 -0.92 3.92 2.75 0.00 -1.26 -2.26 105.19 105.78 2wx0 n GLY 53 Ca 0.23 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 2wx0 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wx0 s ARG 54 N -2.80 1.92 0.49 1.61 1.81 -0.55 -4.85 118.95 116.58 2wx0 s ARG 54 Ca 0.15 -0.17 0.07 0.00 -1.72 0.00 0.00 55.73 54.06 2wx0 s ARG 54 Cb 0.18 -2.06 0.01 0.00 -0.45 0.00 0.00 34.95 32.63 2wx0 s ARG 54 CO 0.65 -1.51 0.41 0.95 -0.68 0.00 0.00 175.30 175.12 2wx0 s THR 55 N -3.44 2.12 0.30 0.02 -4.23 -1.26 -0.98 115.64 108.18 2wx0 s THR 55 Ca 0.63 -1.41 0.04 0.00 -1.18 0.00 0.00 61.69 59.77 2wx0 s THR 55 Cb -0.10 -2.53 0.08 0.00 1.34 0.00 0.00 72.50 71.29 2wx0 s THR 55 CO 0.47 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 176.24 2wx0 h LEU 56 N 0.86 0.41 -0.79 4.79 3.38 -0.92 -2.97 115.31 120.07 2wx0 h LEU 56 Ca -0.38 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 2wx0 h LEU 56 Cb 1.28 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2wx0 h LEU 56 CO 0.57 0.65 -0.03 -1.28 0.09 0.00 0.00 178.44 178.44 2wx0 h SER 57 N 0.37 0.87 -0.08 -0.43 0.87 -1.56 0.24 113.55 113.84 2wx0 h SER 57 Ca 0.06 -0.24 0.02 0.00 -1.23 0.00 0.00 61.79 60.40 2wx0 h SER 57 Cb 0.62 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2wx0 h SER 57 CO 0.04 0.95 0.06 0.44 -0.53 0.00 0.00 176.83 177.79 2wx0 h ASP 58 N 0.82 0.00 -0.66 6.23 3.45 -1.82 0.23 116.42 124.67 2wx0 h ASP 58 Ca 0.15 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.61 2wx0 h ASP 58 Cb 0.52 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 2wx0 h ASP 58 CO 0.03 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 176.48 2wx0 n TYR 59 N -4.30 1.41 -4.45 4.55 4.02 -0.86 -4.93 117.16 112.60 2wx0 n TYR 59 Ca -0.01 -0.58 -0.41 0.00 -0.01 0.00 0.00 57.90 56.89 2wx0 n TYR 59 Cb 0.17 -0.21 -0.07 0.00 -0.02 0.00 0.00 39.34 39.22 2wx0 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2wx0 n ASN 60 N 1.22 -2.14 -4.68 7.72 4.05 0.80 -4.89 115.26 117.33 2wx0 n ASN 60 Ca 0.25 -1.19 -0.42 0.00 0.45 0.00 0.00 54.58 53.67 2wx0 n ASN 60 Cb 0.84 -1.92 -0.03 0.00 1.23 0.00 0.00 39.78 39.91 2wx0 n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2wx0 s ILE 61 N -3.30 4.78 0.25 -1.44 1.01 0.80 -4.99 121.20 118.32 2wx0 s ILE 61 Ca 0.78 1.99 0.02 0.00 0.00 0.00 0.00 60.65 63.45 2wx0 s ILE 61 Cb -0.45 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 37.72 2wx0 s ILE 61 CO 1.00 -0.03 0.08 0.00 0.00 0.00 0.00 174.94 175.99 2wx0 n GLN 62 N 5.26 0.79 -1.25 2.79 10.64 -1.26 -4.45 117.38 129.90 2wx0 n GLN 62 Ca 0.09 -2.09 -0.49 0.00 -1.83 0.00 0.00 57.00 52.68 2wx0 n GLN 62 Cb 0.48 1.06 -0.07 0.00 -0.86 0.00 0.00 30.24 30.86 2wx0 n GLN 62 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2wx0 n LYS 63 N -0.58 0.00 -1.12 2.61 4.81 -1.26 -0.29 118.16 122.34 2wx0 n LYS 63 Ca -0.05 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.35 2wx0 n LYS 63 Cb 0.37 -1.08 -0.02 0.00 0.02 0.00 0.00 35.03 34.32 2wx0 n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wx0 n GLU 64 N 2.80 -1.12 -1.16 1.64 1.02 0.40 -5.00 120.64 119.22 2wx0 n GLU 64 Ca 0.22 0.51 -0.35 0.00 -0.02 0.00 0.00 57.16 57.53 2wx0 n GLU 64 Cb -0.04 -4.47 0.10 0.00 -0.02 0.00 0.00 31.44 27.01 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 -0.44 -0.25 -4.15 1.62 7.64 0.61 -4.67 113.62 113.97 2wx0 n SER 65 Ca -0.04 0.57 -0.35 0.00 1.01 0.00 0.00 58.87 60.06 2wx0 n SER 65 Cb 0.34 -1.35 -0.14 0.00 -1.01 0.00 0.00 64.21 62.06 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 -2.03 2.92 0.61 0.44 2.01 -1.26 -1.62 115.64 116.72 2wx0 s THR 66 Ca 0.68 -1.54 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 2wx0 s THR 66 Cb -0.31 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 2wx0 s THR 66 CO 0.55 -0.20 0.99 -0.76 -0.69 0.00 0.00 174.62 174.51 2wx0 s LEU 67 N 1.21 3.22 -0.11 4.42 1.02 0.12 -4.89 118.68 123.67 2wx0 s LEU 67 Ca -0.03 1.20 0.03 0.00 0.02 0.00 0.00 54.13 55.35 2wx0 s LEU 67 Cb -0.20 -4.16 0.01 0.00 0.02 0.00 0.00 46.19 41.86 2wx0 s LEU 67 CO -0.02 -0.94 -0.20 -1.00 0.02 0.00 0.00 176.35 174.20 2wx0 s HIS 68 N -3.13 2.32 -0.21 0.29 3.76 0.45 -1.54 115.29 117.23 2wx0 s HIS 68 Ca 0.54 -1.04 -0.08 0.00 -0.15 0.00 0.00 55.06 54.34 2wx0 s HIS 68 Cb -0.11 -1.59 -0.04 0.00 1.11 0.00 0.00 32.58 31.95 2wx0 s HIS 68 CO 0.51 -0.47 0.08 -1.17 -0.85 0.00 0.00 174.74 172.84 2wx0 s LEU 69 N 0.65 3.76 0.03 0.89 2.96 0.03 0.17 118.68 127.17 2wx0 s LEU 69 Ca -0.13 0.01 0.07 0.00 -0.22 0.00 0.00 54.13 53.86 2wx0 s LEU 69 Cb -0.16 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 2wx0 s LEU 69 CO 0.03 0.11 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.29 2wx0 s VAL 70 N 0.77 1.54 -0.12 1.68 1.01 0.55 -4.13 120.40 121.71 2wx0 s VAL 70 Ca 0.04 -1.07 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 2wx0 s VAL 70 Cb -0.13 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2wx0 s VAL 70 CO 0.02 0.24 0.19 -0.76 0.00 0.00 0.00 175.10 174.79 2wx0 s LEU 71 N -0.97 4.36 -0.28 3.92 1.43 -1.26 -0.73 118.68 125.14 2wx0 s LEU 71 Ca 0.07 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 2wx0 s LEU 71 Cb -0.08 -2.18 0.08 0.00 0.03 0.00 0.00 46.19 44.04 2wx0 s LEU 71 CO 0.01 0.34 0.00 0.00 0.23 0.00 0.00 176.35 176.93 2wx0 s ARG 72 N -0.70 1.42 0.00 1.70 1.70 -0.99 -4.96 118.95 117.13 2wx0 s ARG 72 Ca 0.15 -1.28 0.24 0.00 -0.47 0.00 0.00 55.73 54.38 2wx0 s ARG 72 Cb -0.13 -2.66 1.45 0.00 -0.57 0.00 0.00 34.95 33.05 2wx0 s ARG 72 CO 0.04 -0.78 1.81 1.28 -1.08 0.00 0.00 175.30 176.58