#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 2.58 0.35 3.17 -2.07 -1.26 0.67 119.66 123.10 2wx0 s GLN 2 Ca 0.00 -0.70 0.04 0.00 -1.82 0.00 0.00 55.36 52.87 2wx0 s GLN 2 Cb 0.00 -2.52 -0.05 0.00 -1.09 0.00 0.00 33.01 29.35 2wx0 s GLN 2 CO 0.00 0.61 0.07 0.96 -1.32 0.00 0.00 175.29 175.61 2wx0 s ILE 3 N -1.00 1.03 0.18 3.63 -4.36 -0.46 -0.63 121.20 119.60 2wx0 s ILE 3 Ca 0.17 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.66 2wx0 s ILE 3 Cb -0.11 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.90 2wx0 s ILE 3 CO 0.07 0.00 -0.18 -0.36 0.24 0.00 0.00 174.94 174.71 2wx0 s PHE 4 N -3.26 2.45 -0.13 1.37 0.40 -0.60 -1.69 117.98 116.51 2wx0 s PHE 4 Ca 0.32 -0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 56.34 2wx0 s PHE 4 Cb 0.07 -1.22 0.03 0.00 0.51 0.00 0.00 43.02 42.42 2wx0 s PHE 4 CO 0.15 0.49 -0.03 0.08 0.70 0.00 0.00 175.22 176.61 2wx0 s VAL 5 N -1.63 0.79 -0.17 -0.44 1.01 0.64 -1.28 120.40 119.33 2wx0 s VAL 5 Ca 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2wx0 s VAL 5 Cb -0.08 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 2wx0 s VAL 5 CO 0.12 0.20 -0.08 -0.75 0.00 0.00 0.00 175.10 174.59 2wx0 s LYS 6 N 1.78 3.43 0.75 2.72 2.20 0.71 0.36 119.74 131.69 2wx0 s LYS 6 Ca 0.03 -0.63 -0.09 0.00 -0.36 0.00 0.00 55.97 54.92 2wx0 s LYS 6 Cb -0.14 -2.83 0.08 0.00 -1.51 0.00 0.00 37.83 33.43 2wx0 s LYS 6 CO -0.07 0.05 1.08 0.95 -0.36 0.00 0.00 175.35 177.00 2wx0 s THR 7 N 0.81 2.17 0.52 3.43 -4.23 -0.70 -0.18 115.64 117.46 2wx0 s THR 7 Ca -0.03 -0.19 0.18 0.00 -1.18 0.00 0.00 61.69 60.47 2wx0 s THR 7 Cb -0.15 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 70.98 2wx0 s THR 7 CO 0.01 0.00 2.15 -0.07 -0.54 0.00 0.00 174.62 176.18 2wx0 h LEU 8 N -0.80 0.00 -1.30 4.79 3.38 -1.90 -0.09 115.31 119.38 2wx0 h LEU 8 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 2wx0 h LEU 8 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 2wx0 h LEU 8 CO 0.60 0.01 -0.17 0.71 0.09 0.00 0.00 178.44 179.68 2wx0 h THR 9 N 0.00 0.44 0.00 0.22 1.35 -1.94 -3.46 112.91 109.52 2wx0 h THR 9 Ca -0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 2wx0 h THR 9 Cb 0.02 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2wx0 h THR 9 CO 0.00 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 2wx0 n GLY 10 N 0.01 0.62 3.67 5.82 0.00 -0.05 -5.07 105.19 110.20 2wx0 n GLY 10 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2wx0 n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wx0 n LYS 11 N -1.19 2.52 -4.13 1.61 4.81 -1.26 -4.75 118.16 115.77 2wx0 n LYS 11 Ca 0.00 0.92 -0.36 0.00 -0.87 0.00 0.00 58.31 58.00 2wx0 n LYS 11 Cb 0.00 -2.82 -0.08 0.00 0.02 0.00 0.00 35.03 32.15 2wx0 n LYS 11 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2wx0 s THR 12 N 4.06 4.87 -0.03 3.15 2.01 -1.26 -1.71 115.64 126.72 2wx0 s THR 12 Ca 0.90 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.92 2wx0 s THR 12 Cb -0.57 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2wx0 s THR 12 CO 0.46 0.60 -0.17 -0.63 -0.69 0.00 0.00 174.62 174.20 2wx0 s ILE 13 N -0.87 2.87 -0.22 1.82 1.01 0.16 -4.92 121.20 121.05 2wx0 s ILE 13 Ca 0.13 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 2wx0 s ILE 13 Cb -0.12 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 2wx0 s ILE 13 CO 0.03 0.55 -0.02 -0.89 0.00 0.00 0.00 174.94 174.61 2wx0 s THR 14 N -0.75 3.67 0.05 2.92 2.01 -1.26 -0.26 115.64 122.02 2wx0 s THR 14 Ca 0.12 -0.40 0.07 0.00 0.31 0.00 0.00 61.69 61.79 2wx0 s THR 14 Cb -0.10 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 2wx0 s THR 14 CO 0.01 0.41 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.43 2wx0 s LEU 15 N 1.34 2.70 -0.24 4.42 1.43 -0.68 -5.00 118.68 122.64 2wx0 s LEU 15 Ca 0.04 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 2wx0 s LEU 15 Cb -0.14 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 2wx0 s LEU 15 CO -0.00 0.24 0.15 -1.61 0.23 0.00 0.00 176.35 175.36 2wx0 s GLU 16 N -1.58 4.00 0.06 1.70 0.41 -1.26 -1.36 118.70 120.67 2wx0 s GLU 16 Ca 0.16 -0.31 -0.03 0.00 -0.41 0.00 0.00 54.97 54.38 2wx0 s GLU 16 Cb -0.11 -3.52 -0.03 0.00 -1.78 0.00 0.00 34.13 28.70 2wx0 s GLU 16 CO 0.07 0.00 0.03 0.14 -0.49 0.00 0.00 175.26 175.01 2wx0 s VAL 17 N 1.20 0.19 0.05 2.63 -7.23 0.21 -4.99 120.40 112.47 2wx0 s VAL 17 Ca 0.07 -1.59 -0.03 0.00 -1.81 0.00 0.00 61.98 58.62 2wx0 s VAL 17 Cb -0.14 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 2wx0 s VAL 17 CO 0.05 -0.88 0.25 -1.61 -0.31 0.00 0.00 175.10 172.61 2wx0 s GLU 18 N -3.75 3.50 0.27 4.82 0.41 -1.26 -0.24 118.70 122.46 2wx0 s GLU 18 Ca 0.05 -0.27 0.19 0.00 -0.41 0.00 0.00 54.97 54.53 2wx0 s GLU 18 Cb 0.06 -3.03 1.01 0.00 -1.78 0.00 0.00 34.13 30.39 2wx0 s GLU 18 CO -0.10 0.61 1.59 -2.30 -0.49 0.00 0.00 175.26 174.57 2wx0 n PRO 19 N 0.59 0.13 0.05 0.39 -0.02 -1.26 -1.31 135.00 133.57 2wx0 n PRO 19 Ca -0.07 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.12 2wx0 n PRO 19 Cb 0.52 -1.89 0.24 0.00 -0.02 0.00 0.00 33.50 32.35 2wx0 n PRO 19 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2wx0 n SER 20 N -2.16 0.62 -4.77 2.55 3.41 -1.26 -1.62 113.62 110.39 2wx0 n SER 20 Ca -0.01 0.12 -0.40 0.00 -0.26 0.00 0.00 58.87 58.32 2wx0 n SER 20 Cb 0.06 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 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 -3.92 5.99 0.87 4.04 1.01 -0.43 -4.70 116.67 119.53 2wx0 s ASP 21 Ca 0.08 2.91 -0.13 0.00 0.71 0.00 0.00 52.55 56.12 2wx0 s ASP 21 Cb 0.14 -2.65 0.12 0.00 1.01 0.00 0.00 42.92 41.54 2wx0 s ASP 21 CO 0.69 -1.10 1.20 0.42 0.21 0.00 0.00 175.17 176.59 2wx0 s THR 22 N -1.20 1.99 0.18 -1.27 -4.23 -1.26 -2.06 115.64 107.80 2wx0 s THR 22 Ca 0.59 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 61.28 2wx0 s THR 22 Cb -0.43 -2.95 0.12 0.00 1.34 0.00 0.00 72.50 70.57 2wx0 s THR 22 CO 0.56 0.00 1.72 0.40 -0.54 0.00 0.00 174.62 176.76 2wx0 h ILE 23 N -1.28 0.95 -0.15 2.99 1.08 -1.06 -1.93 117.51 118.12 2wx0 h ILE 23 Ca -0.46 -1.58 -0.02 0.00 -0.39 0.00 0.00 64.86 62.40 2wx0 h ILE 23 Cb 1.31 1.95 -0.01 0.00 -3.07 0.00 0.00 36.82 37.00 2wx0 h ILE 23 CO 0.59 0.39 -0.00 -0.33 -0.69 0.00 0.00 178.15 178.11 2wx0 h GLU 24 N 0.00 0.26 -0.58 2.37 5.08 -1.56 -0.68 114.58 119.47 2wx0 h GLU 24 Ca -0.00 -0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2wx0 h GLU 24 Cb 0.92 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.07 2wx0 h GLU 24 CO 0.05 0.49 0.17 -0.91 -1.00 0.00 0.00 179.01 177.81 2wx0 h ASN 25 N -0.01 0.10 -0.50 1.42 2.35 -1.81 -1.00 115.58 116.14 2wx0 h ASN 25 Ca 0.04 0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 2wx0 h ASN 25 Cb 0.38 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 2wx0 h ASN 25 CO 0.01 0.07 -0.08 0.58 -1.65 0.00 0.00 177.43 176.36 2wx0 h VAL 26 N 0.32 1.26 -0.57 2.81 2.07 -1.26 -2.05 116.25 118.84 2wx0 h VAL 26 Ca 0.30 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 2wx0 h VAL 26 Cb 0.40 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2wx0 h VAL 26 CO -0.34 0.43 0.12 0.11 0.02 0.00 0.00 177.57 177.90 2wx0 h LYS 27 N 0.88 0.90 -0.62 1.57 1.57 -0.67 -1.50 116.57 118.68 2wx0 h LYS 27 Ca 0.14 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 2wx0 h LYS 27 Cb 0.62 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 2wx0 h LYS 27 CO 0.04 0.82 0.12 0.00 -0.57 0.00 0.00 179.45 179.86 2wx0 h ALA 28 N 1.27 1.04 -0.63 3.86 0.00 -0.89 0.18 119.26 124.10 2wx0 h ALA 28 Ca 0.18 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2wx0 h ALA 28 Cb 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2wx0 h ALA 28 CO 0.00 0.62 0.16 0.87 0.00 0.00 0.00 179.25 180.90 2wx0 h LYS 29 N 0.95 0.98 -0.21 0.00 1.57 -1.02 -0.97 116.57 117.86 2wx0 h LYS 29 Ca 0.20 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 2wx0 h LYS 29 Cb 0.38 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2wx0 h LYS 29 CO 0.01 0.87 -0.27 0.82 -0.57 0.00 0.00 179.45 180.31 2wx0 h ILE 30 N 0.94 1.26 -0.27 1.86 2.04 -0.71 -2.73 117.51 119.90 2wx0 h ILE 30 Ca 0.20 -1.26 -0.09 0.00 1.00 0.00 0.00 64.86 64.72 2wx0 h ILE 30 Cb 0.33 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2wx0 h ILE 30 CO -0.00 0.39 -0.17 -0.61 0.00 0.00 0.00 178.15 177.76 2wx0 h GLN 31 N 0.35 0.59 -0.35 2.37 4.15 0.19 0.16 115.11 122.57 2wx0 h GLN 31 Ca 0.05 -0.27 0.04 0.00 0.77 0.00 0.00 58.65 59.23 2wx0 h GLN 31 Cb 0.66 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.30 2wx0 h GLN 31 CO 0.05 0.85 0.14 -0.44 -1.93 0.00 0.00 178.83 177.50 2wx0 h ASP 32 N 0.32 0.18 0.23 -0.69 5.19 -1.18 0.54 116.42 121.00 2wx0 h ASP 32 Ca 0.06 0.03 -0.25 0.00 -0.62 0.00 0.00 57.03 56.25 2wx0 h ASP 32 Cb 0.70 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.22 2wx0 h ASP 32 CO 0.05 0.14 -1.01 0.11 -3.12 0.00 0.00 179.24 175.40 2wx0 h LYS 33 N 0.30 0.51 0.00 3.56 1.57 -1.41 -3.38 116.57 117.73 2wx0 h LYS 33 Ca 0.16 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2wx0 h LYS 33 Cb 0.11 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2wx0 h LYS 33 CO -0.14 1.20 -1.06 0.39 -0.57 0.00 0.00 179.45 179.27 2wx0 n GLU 34 N -3.77 1.57 -0.97 3.15 -0.58 0.55 -5.01 120.64 115.58 2wx0 n GLU 34 Ca -0.09 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 2wx0 n GLU 34 Cb 0.87 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.64 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 1.75 0.46 3.67 0.62 0.00 0.19 -5.00 105.19 106.88 2wx0 n GLY 35 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.11 4.79 0.41 -0.61 1.01 -1.26 -5.01 121.20 118.43 2wx0 s ILE 36 Ca 0.00 1.88 -0.25 0.00 0.00 0.00 0.00 60.65 62.27 2wx0 s ILE 36 Cb 0.00 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 38.14 2wx0 s ILE 36 CO 0.00 -0.04 1.25 -2.84 0.00 0.00 0.00 174.94 173.31 2wx0 s PRO 37 N 2.39 3.96 0.41 2.79 0.02 -1.26 -4.01 135.00 139.30 2wx0 s PRO 37 Ca 0.43 2.03 0.15 0.00 0.02 0.00 0.00 61.00 63.63 2wx0 s PRO 37 Cb -0.17 -2.70 1.02 0.00 0.02 0.00 0.00 34.50 32.67 2wx0 s PRO 37 CO 0.13 -0.45 1.88 -1.35 -0.33 0.00 0.00 177.00 176.88 2wx0 h PRO 38 N 2.60 0.45 0.00 5.54 0.11 -1.95 -0.17 132.00 138.59 2wx0 h PRO 38 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2wx0 h PRO 38 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2wx0 h PRO 38 CO 0.62 0.30 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 2wx0 n ASP 39 N -4.51 0.48 -0.83 -2.05 5.68 -1.26 -2.29 116.55 111.77 2wx0 n ASP 39 Ca 0.17 0.60 0.10 0.00 -0.50 0.00 0.00 54.79 55.16 2wx0 n ASP 39 Cb 0.59 -0.71 0.10 0.00 -1.14 0.00 0.00 41.12 39.95 2wx0 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wx0 n GLN 40 N -2.01 1.85 -3.75 0.11 6.02 -0.08 -4.93 117.38 114.60 2wx0 n GLN 40 Ca 0.03 -1.75 -0.35 0.00 -0.01 0.00 0.00 57.00 54.92 2wx0 n GLN 40 Cb 0.25 -1.39 -0.08 0.00 1.02 0.00 0.00 30.24 30.04 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 -1.64 4.05 -0.20 -1.09 -0.21 -0.97 -1.64 119.66 117.97 2wx0 s GLN 41 Ca 0.25 -0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.44 2wx0 s GLN 41 Cb 0.17 -3.38 0.02 0.00 1.00 0.00 0.00 33.01 30.82 2wx0 s GLN 41 CO 0.25 0.39 -0.16 1.03 -2.12 0.00 0.00 175.29 174.68 2wx0 s ARG 42 N 0.10 2.99 -0.07 2.91 0.52 -0.36 -4.98 118.95 120.06 2wx0 s ARG 42 Ca 0.10 -0.84 -0.08 0.00 -0.52 0.00 0.00 55.73 54.39 2wx0 s ARG 42 Cb -0.11 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 2wx0 s ARG 42 CO -0.01 -0.24 0.22 -0.51 0.02 0.00 0.00 175.30 174.78 2wx0 s LEU 43 N 1.31 4.40 -0.03 2.53 1.43 -1.26 -1.26 118.68 125.80 2wx0 s LEU 43 Ca 0.04 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 2wx0 s LEU 43 Cb -0.14 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.79 2wx0 s LEU 43 CO -0.10 0.35 0.01 -0.63 0.23 0.00 0.00 176.35 176.21 2wx0 s ILE 44 N -1.11 0.08 -0.10 -0.59 1.01 -0.21 -1.03 121.20 119.25 2wx0 s ILE 44 Ca 0.20 0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.94 2wx0 s ILE 44 Cb -0.13 -0.19 0.05 0.00 0.01 0.00 0.00 42.46 42.20 2wx0 s ILE 44 CO 0.09 0.12 0.21 0.12 0.00 0.00 0.00 174.94 175.48 2wx0 s PHE 45 N 1.03 -0.30 -1.30 3.97 5.36 -0.85 -0.91 117.98 124.97 2wx0 s PHE 45 Ca -0.10 0.77 -0.06 0.00 -0.96 0.00 0.00 56.93 56.59 2wx0 s PHE 45 Cb -0.13 -0.12 0.01 0.00 -0.34 0.00 0.00 43.02 42.43 2wx0 s PHE 45 CO -0.02 -0.29 1.12 0.00 -1.46 0.00 0.00 175.22 174.56 2wx0 n ALA 46 N 5.13 -1.57 -1.12 11.12 0.00 -1.26 -2.96 120.51 129.85 2wx0 n ALA 46 Ca -0.09 0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.54 2wx0 n ALA 46 Cb 0.50 -4.39 -0.02 0.00 0.00 0.00 0.00 19.45 15.55 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 -1.69 0.67 3.03 0.00 0.00 -1.26 -5.00 105.19 100.94 2wx0 n GLY 47 Ca -0.10 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.77 1.30 0.10 1.61 -0.14 -1.16 -5.12 119.74 114.57 2wx0 s LYS 48 Ca 0.00 -0.39 -0.31 0.00 -1.36 0.00 0.00 55.97 53.91 2wx0 s LYS 48 Cb 0.00 -1.15 -0.07 0.00 -1.68 0.00 0.00 37.83 34.93 2wx0 s LYS 48 CO 0.00 0.12 1.23 -1.14 -0.76 0.00 0.00 175.35 174.80 2wx0 s GLN 49 N 0.28 4.43 0.52 1.68 0.74 -1.26 -2.01 119.66 124.04 2wx0 s GLN 49 Ca -0.06 1.84 -0.18 0.00 0.05 0.00 0.00 55.36 57.02 2wx0 s GLN 49 Cb -0.11 -3.30 -0.07 0.00 1.10 0.00 0.00 33.01 30.62 2wx0 s GLN 49 CO 0.01 -0.24 1.01 -0.51 -0.55 0.00 0.00 175.29 175.02 2wx0 s LEU 50 N 0.71 3.68 0.00 3.68 1.43 -0.20 -4.99 118.68 122.99 2wx0 s LEU 50 Ca 0.58 1.72 -0.18 0.00 -1.03 0.00 0.00 54.13 55.22 2wx0 s LEU 50 Cb -0.31 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.32 2wx0 s LEU 50 CO 0.31 -0.74 0.51 -1.61 0.23 0.00 0.00 176.35 175.05 2wx0 s GLU 51 N -3.79 4.16 0.16 1.70 0.41 -1.26 -4.83 118.70 115.25 2wx0 s GLU 51 Ca 0.62 0.59 -0.18 0.00 -0.41 0.00 0.00 54.97 55.59 2wx0 s GLU 51 Cb -0.12 -3.29 0.08 0.00 -1.78 0.00 0.00 34.13 29.02 2wx0 s GLU 51 CO 0.28 0.52 1.67 -0.44 -0.49 0.00 0.00 175.26 176.80 2wx0 h ASP 52 N 5.17 -0.39 -0.24 -0.19 3.32 -1.96 -3.01 116.42 119.11 2wx0 h ASP 52 Ca -0.48 0.12 -0.18 0.00 0.02 0.00 0.00 57.03 56.51 2wx0 h ASP 52 Cb 1.21 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 41.00 2wx0 h ASP 52 CO 0.66 -0.14 -0.52 1.23 -1.72 0.00 0.00 179.24 178.75 2wx0 h GLY 53 N -0.02 0.90 -1.77 2.75 0.00 -1.95 -1.61 103.07 101.37 2wx0 h GLY 53 Ca 0.18 -1.03 -0.50 0.00 0.00 0.00 0.00 47.33 45.98 2wx0 h GLY 53 CO -0.39 0.92 -0.84 0.54 0.00 0.00 0.00 176.54 176.78 2wx0 n ARG 54 N -4.01 -0.83 -3.87 4.80 3.00 -1.14 -4.57 116.66 110.05 2wx0 n ARG 54 Ca -0.04 -0.21 -0.23 0.00 -0.01 0.00 0.00 57.85 57.36 2wx0 n ARG 54 Cb 0.61 -1.76 -0.05 0.00 0.00 0.00 0.00 32.46 31.26 2wx0 n ARG 54 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2wx0 s THR 55 N -2.32 2.34 0.28 0.55 -4.23 -1.26 -1.38 115.64 109.62 2wx0 s THR 55 Ca 0.56 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 59.54 2wx0 s THR 55 Cb -0.17 -2.87 0.14 0.00 1.34 0.00 0.00 72.50 70.94 2wx0 s THR 55 CO 0.67 0.00 1.81 -0.07 -0.54 0.00 0.00 174.62 176.49 2wx0 h LEU 56 N 1.17 0.72 0.00 4.79 3.38 -1.34 -2.46 115.31 121.56 2wx0 h LEU 56 Ca -0.41 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2wx0 h LEU 56 Cb 1.27 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2wx0 h LEU 56 CO 0.63 0.76 -0.18 0.77 0.09 0.00 0.00 178.44 180.50 2wx0 h SER 57 N 0.73 0.00 0.38 -0.43 4.64 -1.50 0.23 113.55 117.60 2wx0 h SER 57 Ca 0.15 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2wx0 h SER 57 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2wx0 h SER 57 CO 0.01 0.02 -0.05 0.44 -0.87 0.00 0.00 176.83 176.38 2wx0 h ASP 58 N 0.00 0.00 -0.27 4.97 3.45 -1.72 -1.12 116.42 121.73 2wx0 h ASP 58 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2wx0 h ASP 58 Cb 0.86 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.63 2wx0 h ASP 58 CO 0.00 0.05 0.00 -1.22 -1.57 0.00 0.00 179.24 176.50 2wx0 n TYR 59 N -3.35 0.61 -3.88 4.55 4.02 -0.99 -4.96 117.16 113.17 2wx0 n TYR 59 Ca -0.02 -0.68 -0.30 0.00 -0.01 0.00 0.00 57.90 56.89 2wx0 n TYR 59 Cb 0.19 -0.16 -0.04 0.00 -0.02 0.00 0.00 39.34 39.32 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 -0.08 -2.52 -4.65 7.72 4.05 -0.42 -4.89 115.26 114.46 2wx0 n ASN 60 Ca 0.15 -0.72 -0.43 0.00 0.45 0.00 0.00 54.58 54.03 2wx0 n ASN 60 Cb 0.62 -2.13 -0.02 0.00 1.23 0.00 0.00 39.78 39.48 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 -2.99 4.55 0.51 -1.44 1.01 0.77 -4.98 121.20 118.63 2wx0 s ILE 61 Ca 0.59 1.84 0.01 0.00 0.00 0.00 0.00 60.65 63.09 2wx0 s ILE 61 Cb -0.33 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 37.83 2wx0 s ILE 61 CO 0.72 -0.29 0.01 0.00 0.00 0.00 0.00 174.94 175.38 2wx0 s GLN 62 N 3.44 2.19 -0.24 2.79 -2.07 -1.26 -4.32 119.66 120.18 2wx0 s GLN 62 Ca 0.46 -2.40 -0.39 0.00 -1.82 0.00 0.00 55.36 51.21 2wx0 s GLN 62 Cb -0.15 -1.43 -0.15 0.00 -1.09 0.00 0.00 33.01 30.18 2wx0 s GLN 62 CO 0.11 -0.39 1.73 0.36 -1.32 0.00 0.00 175.29 175.78 2wx0 n LYS 63 N -1.25 1.24 -0.71 9.60 0.00 -1.26 -0.85 118.16 124.93 2wx0 n LYS 63 Ca -0.19 0.45 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 2wx0 n LYS 63 Cb 0.67 -2.15 0.00 0.00 -0.00 0.00 0.00 35.03 33.55 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 5.27 0.00 -1.44 -1.58 1.02 0.20 -5.01 120.64 119.10 2wx0 n GLU 64 Ca 0.26 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 57.03 2wx0 n GLU 64 Cb 0.15 -1.84 0.07 0.00 -0.02 0.00 0.00 31.44 29.79 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 0.00 0.05 -4.22 1.62 7.64 -0.03 -4.66 113.62 114.03 2wx0 n SER 65 Ca 0.00 0.70 -0.34 0.00 1.01 0.00 0.00 58.87 60.24 2wx0 n SER 65 Cb 0.00 -1.34 -0.15 0.00 -1.01 0.00 0.00 64.21 61.72 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 -1.72 2.83 0.23 0.44 2.01 -1.26 -1.56 115.64 116.61 2wx0 s THR 66 Ca 0.72 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.81 2wx0 s THR 66 Cb -0.38 -2.34 -0.06 0.00 0.01 0.00 0.00 72.50 69.73 2wx0 s THR 66 CO 0.51 0.35 0.52 -0.76 -0.69 0.00 0.00 174.62 174.55 2wx0 s LEU 67 N 1.36 4.15 -0.14 4.42 1.02 -0.40 -4.87 118.68 124.22 2wx0 s LEU 67 Ca 0.03 0.80 -0.03 0.00 0.02 0.00 0.00 54.13 54.95 2wx0 s LEU 67 Cb -0.15 -3.57 -0.03 0.00 0.02 0.00 0.00 46.19 42.46 2wx0 s LEU 67 CO -0.06 -0.09 -0.04 -1.00 0.02 0.00 0.00 176.35 175.19 2wx0 s HIS 68 N -1.87 3.03 -0.19 0.29 3.76 -0.09 -0.21 115.29 120.02 2wx0 s HIS 68 Ca 0.45 -0.21 -0.07 0.00 -0.15 0.00 0.00 55.06 55.08 2wx0 s HIS 68 Cb -0.11 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.62 2wx0 s HIS 68 CO 0.24 0.06 0.05 -1.17 -0.85 0.00 0.00 174.74 173.07 2wx0 s LEU 69 N 0.12 3.68 -0.01 0.89 2.96 0.75 -1.04 118.68 126.02 2wx0 s LEU 69 Ca -0.01 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2wx0 s LEU 69 Cb -0.14 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 2wx0 s LEU 69 CO 0.03 0.15 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.41 2wx0 s VAL 70 N 0.52 0.85 0.97 1.68 1.01 -0.39 -3.83 120.40 121.21 2wx0 s VAL 70 Ca 0.02 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 2wx0 s VAL 70 Cb -0.13 -0.71 0.17 0.00 0.00 0.00 0.00 36.38 35.71 2wx0 s VAL 70 CO 0.01 0.24 1.17 -0.76 0.00 0.00 0.00 175.10 175.76 2wx0 s LEU 71 N -0.21 1.94 -0.14 3.92 1.43 -1.26 -1.22 118.68 123.14 2wx0 s LEU 71 Ca 0.03 0.77 -0.26 0.00 -1.03 0.00 0.00 54.13 53.64 2wx0 s LEU 71 Cb -0.05 -2.94 0.06 0.00 0.03 0.00 0.00 46.19 43.30 2wx0 s LEU 71 CO -0.00 -2.83 0.64 -0.60 0.23 0.00 0.00 176.35 173.79 2wx0 s ARG 72 N -5.43 0.89 0.00 1.70 3.52 -0.65 -4.75 118.95 114.23 2wx0 s ARG 72 Ca 0.67 0.53 0.08 0.00 -0.13 0.00 0.00 55.73 56.87 2wx0 s ARG 72 Cb -0.12 0.43 0.06 0.00 -1.56 0.00 0.00 34.95 33.76 2wx0 s ARG 72 CO 0.54 -0.21 0.75 1.47 -0.81 0.00 0.00 175.30 177.04