#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx9 n SER 2 N 0.00 -8.23 0.07 1.61 2.88 -1.26 -5.05 113.62 103.64 1wx9 n SER 2 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1wx9 n SER 2 Cb 0.00 -4.13 0.00 0.00 -0.75 0.00 0.00 64.21 59.33 1wx9 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wx9 n SER 3 N 0.51 0.69 0.00 -3.46 3.41 -1.26 -5.13 113.62 108.38 1wx9 n SER 3 Ca 0.00 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1wx9 n SER 3 Cb 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1wx9 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wx9 n GLY 4 N 2.97 4.40 0.07 5.00 0.00 -1.26 -4.81 105.19 111.56 1wx9 n GLY 4 Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 1wx9 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wx9 h SER 5 N 0.00 0.00 -3.52 1.61 0.87 -2.01 -3.42 113.55 107.08 1wx9 h SER 5 Ca 0.00 -0.18 -0.72 0.00 -1.23 0.00 0.00 61.79 59.66 1wx9 h SER 5 Cb 0.00 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 61.62 1wx9 h SER 5 CO 0.00 0.85 -0.05 -0.44 -0.53 0.00 0.00 176.83 176.66 1wx9 s SER 6 N -5.94 6.11 0.30 6.23 0.01 -1.26 -5.02 113.70 114.12 1wx9 s SER 6 Ca -0.14 -3.52 0.04 0.00 1.31 0.00 0.00 55.95 53.63 1wx9 s SER 6 Cb 0.02 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 1wx9 s SER 6 CO 0.28 -0.25 0.19 -0.83 0.41 0.00 0.00 173.24 173.04 1wx9 s GLY 7 N 0.31 2.05 -0.17 3.44 0.00 -1.26 -4.97 107.32 106.71 1wx9 s GLY 7 Ca 0.26 -1.82 -0.09 0.00 0.00 0.00 0.00 44.72 43.06 1wx9 s GLY 7 CO -0.10 -1.52 0.14 -2.27 0.00 0.00 0.00 173.10 169.34 1wx9 s LEU 8 N -3.34 4.27 0.09 0.66 0.20 0.07 -4.92 118.68 115.71 1wx9 s LEU 8 Ca 0.37 0.31 -0.21 0.00 0.69 0.00 0.00 54.13 55.29 1wx9 s LEU 8 Cb 0.04 -2.09 -0.07 0.00 -0.43 0.00 0.00 46.19 43.64 1wx9 s LEU 8 CO 0.20 0.25 0.64 -0.70 -0.29 0.00 0.00 176.35 176.44 1wx9 s GLU 9 N -0.06 4.33 -0.03 1.98 2.12 -1.26 -0.93 118.70 124.85 1wx9 s GLU 9 Ca 0.10 0.87 -0.01 0.00 0.36 0.00 0.00 54.97 56.30 1wx9 s GLU 9 Cb -0.11 -3.26 0.03 0.00 0.26 0.00 0.00 34.13 31.05 1wx9 s GLU 9 CO 0.00 0.58 0.06 0.08 -0.54 0.00 0.00 175.26 175.44 1wx9 s VAL 10 N -0.97 -0.08 0.11 3.70 1.01 0.49 0.18 120.40 124.85 1wx9 s VAL 10 Ca 0.32 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.60 1wx9 s VAL 10 Cb -0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1wx9 s VAL 10 CO 0.21 0.11 0.13 -0.76 0.00 0.00 0.00 175.10 174.79 1wx9 s LEU 11 N 1.43 3.89 -0.03 3.92 1.02 -0.88 0.12 118.68 128.16 1wx9 s LEU 11 Ca -0.05 -0.02 0.01 0.00 0.02 0.00 0.00 54.13 54.09 1wx9 s LEU 11 Cb -0.13 -2.53 0.02 0.00 0.02 0.00 0.00 46.19 43.57 1wx9 s LEU 11 CO -0.04 0.12 -0.01 -0.69 0.02 0.00 0.00 176.35 175.76 1wx9 s VAL 12 N -1.56 0.23 0.04 -1.59 1.01 -0.74 -1.02 120.40 116.78 1wx9 s VAL 12 Ca 0.31 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1wx9 s VAL 12 Cb -0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1wx9 s VAL 12 CO 0.24 0.14 -0.07 -0.75 0.00 0.00 0.00 175.10 174.65 1wx9 s LYS 13 N 0.80 2.42 0.00 2.72 2.20 0.63 -1.41 119.74 127.11 1wx9 s LYS 13 Ca -0.08 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 1wx9 s LYS 13 Cb -0.12 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 1wx9 s LYS 13 CO -0.01 0.57 0.00 0.25 -0.36 0.00 0.00 175.35 175.80 1wx9 n THR 14 N 1.22 0.00 0.18 3.43 -2.24 -1.26 -0.99 114.28 114.62 1wx9 n THR 14 Ca -0.14 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1wx9 n THR 14 Cb 0.52 -0.30 0.12 0.00 -2.10 0.00 0.00 70.33 68.57 1wx9 n THR 14 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1wx9 h LEU 15 N 0.00 0.00 -1.22 3.22 3.38 -1.96 -2.87 115.31 115.86 1wx9 h LEU 15 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wx9 h LEU 15 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wx9 h LEU 15 CO 0.00 0.27 0.00 -0.67 0.09 0.00 0.00 178.44 178.13 1wx9 n ASP 16 N -3.18 1.78 -3.30 -0.43 -0.08 -1.26 -4.93 116.55 105.15 1wx9 n ASP 16 Ca 0.03 -1.94 -0.12 0.00 -1.51 0.00 0.00 54.79 51.24 1wx9 n ASP 16 Cb 0.63 -0.21 0.02 0.00 2.34 0.00 0.00 41.12 43.91 1wx9 n ASP 16 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1wx9 n SER 17 N 0.46 -6.75 -3.70 1.67 2.88 -1.08 -4.98 113.62 102.11 1wx9 n SER 17 Ca 0.12 -0.50 -0.29 0.00 -1.33 0.00 0.00 58.87 56.88 1wx9 n SER 17 Cb 0.29 -4.52 -0.12 0.00 -0.75 0.00 0.00 64.21 59.11 1wx9 n SER 17 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1wx9 s GLN 18 N -4.08 1.51 0.11 -1.46 -0.21 -1.26 -4.92 119.66 109.35 1wx9 s GLN 18 Ca 0.19 -2.35 -0.31 0.00 0.02 0.00 0.00 55.36 52.91 1wx9 s GLN 18 Cb -0.04 -2.44 -0.08 0.00 1.00 0.00 0.00 33.01 31.45 1wx9 s GLN 18 CO 0.78 -1.23 1.35 0.99 -2.12 0.00 0.00 175.29 175.06 1wx9 s THR 19 N -0.13 3.43 -0.10 -0.19 2.01 -1.25 -4.11 115.64 115.30 1wx9 s THR 19 Ca 0.22 1.04 0.01 0.00 0.31 0.00 0.00 61.69 63.27 1wx9 s THR 19 Cb -0.15 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.72 1wx9 s THR 19 CO -0.07 0.09 -0.11 -0.13 -0.69 0.00 0.00 174.62 173.71 1wx9 s ARG 20 N 1.01 1.75 0.03 4.92 0.52 -0.50 -4.93 118.95 121.76 1wx9 s ARG 20 Ca 0.63 -0.37 -0.28 0.00 -0.52 0.00 0.00 55.73 55.19 1wx9 s ARG 20 Cb -0.35 -1.63 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 1wx9 s ARG 20 CO 0.31 -0.15 0.88 0.99 0.02 0.00 0.00 175.30 177.35 1wx9 s THR 21 N 1.29 4.76 0.01 0.02 2.01 -1.26 -1.78 115.64 120.68 1wx9 s THR 21 Ca -0.02 1.87 0.05 0.00 0.31 0.00 0.00 61.69 63.89 1wx9 s THR 21 Cb -0.14 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.13 1wx9 s THR 21 CO -0.04 0.27 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.65 1wx9 s PHE 22 N 0.45 1.27 -0.35 4.92 0.08 0.33 -4.95 117.98 119.73 1wx9 s PHE 22 Ca 0.45 -0.29 -0.01 0.00 0.12 0.00 0.00 56.93 57.21 1wx9 s PHE 22 Cb -0.21 -0.79 0.08 0.00 -0.57 0.00 0.00 43.02 41.54 1wx9 s PHE 22 CO 0.26 0.01 0.08 0.42 -0.10 0.00 0.00 175.22 175.88 1wx9 s ILE 23 N -0.54 2.90 0.25 0.64 -1.09 -1.26 0.19 121.20 122.28 1wx9 s ILE 23 Ca 0.04 -1.84 0.06 0.00 -2.23 0.00 0.00 60.65 56.68 1wx9 s ILE 23 Cb -0.06 -2.88 -0.05 0.00 -1.58 0.00 0.00 42.46 37.88 1wx9 s ILE 23 CO 0.00 -0.41 -0.08 0.68 -1.23 0.00 0.00 174.94 173.90 1wx9 s VAL 24 N 1.13 1.58 -0.07 2.92 -7.23 -0.10 -4.86 120.40 113.77 1wx9 s VAL 24 Ca 0.03 -2.14 -0.30 0.00 -1.81 0.00 0.00 61.98 57.76 1wx9 s VAL 24 Cb -0.21 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1wx9 s VAL 24 CO -0.04 -0.40 1.42 -0.83 -0.31 0.00 0.00 175.10 174.94 1wx9 s GLY 25 N -3.38 1.72 0.35 2.32 0.00 -1.26 -0.75 107.32 106.31 1wx9 s GLY 25 Ca 0.27 0.75 0.15 0.00 0.00 0.00 0.00 44.72 45.89 1wx9 s GLY 25 CO 0.10 2.63 1.62 0.00 0.00 0.00 0.00 173.10 177.45 1wx9 h ALA 26 N 8.38 1.92 -0.69 3.20 0.00 -1.93 1.45 119.26 131.60 1wx9 h ALA 26 Ca -0.35 0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1wx9 h ALA 26 Cb 1.15 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 19.15 1wx9 h ALA 26 CO 0.94 -0.72 0.35 1.96 0.00 0.00 0.00 179.25 181.78 1wx9 h GLN 27 N 0.16 0.60 -5.17 0.00 1.08 -2.01 -3.33 115.11 106.44 1wx9 h GLN 27 Ca 0.75 -0.04 -0.53 0.00 -1.45 0.00 0.00 58.65 57.39 1wx9 h GLN 27 Cb 1.82 -0.14 0.14 0.00 -0.05 0.00 0.00 27.48 29.26 1wx9 h GLN 27 CO -0.70 0.40 -0.89 -0.12 -0.95 0.00 0.00 178.83 176.57 1wx9 n MET 28 N -4.84 0.00 -2.94 1.46 1.56 0.50 -4.86 117.12 107.99 1wx9 n MET 28 Ca 0.10 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.35 1wx9 n MET 28 Cb 0.24 -0.86 0.02 0.00 2.15 0.00 0.00 33.22 34.76 1wx9 n MET 28 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1wx9 s ASN 29 N -0.86 5.58 0.13 6.12 4.22 -1.26 -3.68 114.94 125.19 1wx9 s ASN 29 Ca 0.50 -0.28 -0.19 0.00 -2.14 0.00 0.00 52.86 50.75 1wx9 s ASN 29 Cb -0.50 -0.78 -0.01 0.00 1.28 0.00 0.00 41.25 41.25 1wx9 s ASN 29 CO 0.55 -0.84 1.71 0.58 -2.04 0.00 0.00 177.10 177.06 1wx9 h VAL 30 N 0.50 0.80 0.03 3.54 2.07 0.01 -0.95 116.25 122.25 1wx9 h VAL 30 Ca -0.41 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1wx9 h VAL 30 Cb 1.28 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1wx9 h VAL 30 CO 0.48 0.01 -0.11 0.50 0.02 0.00 0.00 177.57 178.47 1wx9 h LYS 31 N 0.04 -0.15 -0.95 1.57 3.64 -1.68 -0.04 116.57 119.00 1wx9 h LYS 31 Ca 0.11 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.64 1wx9 h LYS 31 Cb 0.16 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 31.86 1wx9 h LYS 31 CO -0.21 -0.10 -0.39 0.39 -2.27 0.00 0.00 179.45 176.87 1wx9 n GLU 32 N -3.05 -0.24 -0.21 1.90 1.02 -1.13 0.10 120.64 119.03 1wx9 n GLU 32 Ca -0.02 1.45 0.02 0.00 -0.02 0.00 0.00 57.16 58.60 1wx9 n GLU 32 Cb 0.08 -2.15 0.12 0.00 -0.02 0.00 0.00 31.44 29.47 1wx9 n GLU 32 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1wx9 h PHE 33 N 0.00 0.03 -0.66 -0.32 3.57 -0.66 0.30 116.94 119.21 1wx9 h PHE 33 Ca 0.31 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.96 1wx9 h PHE 33 Cb 0.55 0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.29 1wx9 h PHE 33 CO -0.85 -0.15 0.26 0.87 -2.23 0.00 0.00 178.31 176.22 1wx9 h LYS 34 N 0.15 0.43 -0.23 1.11 1.57 0.26 0.38 116.57 120.25 1wx9 h LYS 34 Ca 0.34 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 59.01 1wx9 h LYS 34 Cb 0.56 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1wx9 h LYS 34 CO -0.52 0.28 -0.23 0.93 -0.57 0.00 0.00 179.45 179.34 1wx9 h GLU 35 N 0.44 0.42 0.51 3.15 5.08 0.33 1.43 114.58 125.93 1wx9 h GLU 35 Ca 0.34 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1wx9 h GLU 35 Cb 0.44 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1wx9 h GLU 35 CO -0.33 0.63 -0.24 1.25 -1.00 0.00 0.00 179.01 179.31 1wx9 h HIS 36 N 0.37 -0.63 -0.11 4.33 2.76 0.23 -3.12 115.15 118.98 1wx9 h HIS 36 Ca 0.06 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.10 1wx9 h HIS 36 Cb 0.61 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.77 1wx9 h HIS 36 CO 0.02 -0.31 -0.45 -0.84 -1.30 0.00 0.00 177.93 175.05 1wx9 h ILE 37 N -0.96 1.33 -1.91 6.26 3.07 -0.34 -2.85 117.51 122.11 1wx9 h ILE 37 Ca -0.07 -1.63 0.56 0.00 1.55 0.00 0.00 64.86 65.27 1wx9 h ILE 37 Cb 0.61 1.75 -0.08 0.00 -0.27 0.00 0.00 36.82 38.82 1wx9 h ILE 37 CO 0.11 0.49 1.38 0.00 -1.05 0.00 0.00 178.15 179.08 1wx9 h ALA 38 N 1.31 3.81 0.33 0.16 0.00 0.20 1.30 119.26 126.36 1wx9 h ALA 38 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1wx9 h ALA 38 Cb 0.89 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wx9 h ALA 38 CO 0.07 -2.36 -0.16 0.00 0.00 0.00 0.00 179.25 176.80 1wx9 h ALA 39 N 1.05 -0.44 0.45 0.00 0.00 -1.54 0.76 119.26 119.54 1wx9 h ALA 39 Ca 0.91 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.65 1wx9 h ALA 39 Cb 3.66 0.17 0.00 0.00 0.00 0.00 0.00 17.79 21.62 1wx9 h ALA 39 CO -0.02 -0.44 -0.22 0.77 0.00 0.00 0.00 179.25 179.34 1wx9 h SER 40 N -1.05 -0.51 0.09 0.00 0.02 0.57 -2.58 113.55 110.09 1wx9 h SER 40 Ca -0.04 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1wx9 h SER 40 Cb 0.44 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1wx9 h SER 40 CO 0.07 -0.29 -0.14 -0.37 -1.14 0.00 0.00 176.83 174.97 1wx9 h VAL 41 N -0.71 1.14 -1.21 2.27 -1.51 0.11 -3.46 116.25 112.88 1wx9 h VAL 41 Ca -0.06 -0.64 -0.12 0.00 -1.23 0.00 0.00 66.70 64.64 1wx9 h VAL 41 Cb 0.52 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1wx9 h VAL 41 CO 0.10 0.19 -0.17 -0.24 -1.23 0.00 0.00 177.57 176.23 1wx9 n SER 42 N -4.32 -2.65 -4.10 4.19 2.88 0.25 -5.01 113.62 104.86 1wx9 n SER 42 Ca -0.02 -0.04 -0.22 0.00 -1.33 0.00 0.00 58.87 57.27 1wx9 n SER 42 Cb 0.24 -1.83 -0.15 0.00 -0.75 0.00 0.00 64.21 61.72 1wx9 n SER 42 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wx9 s ILE 43 N -2.48 1.08 0.36 2.46 1.01 0.03 -4.98 121.20 118.68 1wx9 s ILE 43 Ca 0.04 -0.58 -0.26 0.00 0.00 0.00 0.00 60.65 59.85 1wx9 s ILE 43 Cb -0.02 -0.90 -0.09 0.00 0.01 0.00 0.00 42.46 41.47 1wx9 s ILE 43 CO 0.05 0.30 1.06 -2.16 0.00 0.00 0.00 174.94 174.19 1wx9 s PRO 44 N -0.31 4.31 0.31 2.79 0.04 -1.26 -3.96 135.00 136.91 1wx9 s PRO 44 Ca 0.05 1.59 0.04 0.00 0.04 0.00 0.00 61.00 62.72 1wx9 s PRO 44 Cb -0.05 -2.73 0.64 0.00 0.04 0.00 0.00 34.50 32.39 1wx9 s PRO 44 CO -0.00 -0.03 1.85 0.66 0.04 0.00 0.00 177.00 179.52 1wx9 h SER 45 N 2.89 0.84 0.20 6.66 4.64 -1.90 0.87 113.55 127.74 1wx9 h SER 45 Ca -0.48 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1wx9 h SER 45 Cb 1.21 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1wx9 h SER 45 CO 0.64 0.45 0.00 1.05 -0.87 0.00 0.00 176.83 178.09 1wx9 h GLU 46 N 0.90 0.00 0.00 4.77 4.11 -1.97 -1.35 114.58 121.04 1wx9 h GLU 46 Ca 0.47 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.72 1wx9 h GLU 46 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1wx9 h GLU 46 CO -0.24 0.00 -1.84 1.63 0.07 0.00 0.00 179.01 178.64 1wx9 n LYS 47 N -2.35 1.55 -1.60 1.06 5.02 0.22 -5.00 118.16 117.06 1wx9 n LYS 47 Ca -0.01 -0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 55.95 1wx9 n LYS 47 Cb 0.09 -1.33 0.07 0.00 -0.02 0.00 0.00 35.03 33.84 1wx9 n LYS 47 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wx9 s GLN 48 N -2.46 2.51 -0.41 1.97 -0.21 0.24 -3.49 119.66 117.80 1wx9 s GLN 48 Ca -0.06 0.74 -0.00 0.00 0.02 0.00 0.00 55.36 56.06 1wx9 s GLN 48 Cb 0.05 -1.96 0.22 0.00 1.00 0.00 0.00 33.01 32.32 1wx9 s GLN 48 CO 0.54 -1.35 0.99 -2.13 -2.12 0.00 0.00 175.29 171.22 1wx9 n ARG 49 N -3.27 0.34 -1.59 2.91 0.63 -1.21 -4.88 116.66 109.58 1wx9 n ARG 49 Ca 0.07 -1.28 -0.45 0.00 -0.92 0.00 0.00 57.85 55.27 1wx9 n ARG 49 Cb 0.55 -0.65 -0.02 0.00 0.45 0.00 0.00 32.46 32.80 1wx9 n ARG 49 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1wx9 n LEU 50 N 2.34 1.86 -3.96 6.15 4.77 -1.26 -4.04 117.00 122.87 1wx9 n LEU 50 Ca 0.11 1.17 -0.21 0.00 -0.03 0.00 0.00 56.01 57.05 1wx9 n LEU 50 Cb 0.63 -1.29 -0.16 0.00 -2.33 0.00 0.00 43.42 40.27 1wx9 n LEU 50 CO -0.07 -1.32 -0.43 -0.63 -1.33 0.00 0.00 177.39 173.61 1wx9 s ILE 51 N -0.91 0.76 -0.06 -0.08 1.01 0.24 -1.91 121.20 120.25 1wx9 s ILE 51 Ca 0.61 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.97 1wx9 s ILE 51 Cb -0.71 -0.73 0.03 0.00 0.01 0.00 0.00 42.46 41.05 1wx9 s ILE 51 CO 0.59 0.27 -0.01 -0.47 0.00 0.00 0.00 174.94 175.32 1wx9 s TYR 52 N 0.67 0.64 -1.51 3.97 6.14 -0.51 -1.44 117.35 125.32 1wx9 s TYR 52 Ca -0.11 -0.15 0.00 0.00 0.64 0.00 0.00 57.07 57.45 1wx9 s TYR 52 Cb -0.14 -0.73 0.00 0.00 0.42 0.00 0.00 41.96 41.51 1wx9 s TYR 52 CO 0.01 -0.28 0.00 1.04 0.64 0.00 0.00 175.55 176.96 1wx9 n GLN 53 N 4.83 -1.38 -2.39 4.97 1.13 -1.26 -1.64 117.38 121.65 1wx9 n GLN 53 Ca -0.12 0.86 -0.10 0.00 -1.94 0.00 0.00 57.00 55.69 1wx9 n GLN 53 Cb 0.50 -5.31 0.01 0.00 0.11 0.00 0.00 30.24 25.54 1wx9 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wx9 n GLY 54 N -1.01 0.04 2.95 1.08 0.00 -1.26 -5.02 105.19 101.96 1wx9 n GLY 54 Ca -0.21 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 1wx9 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wx9 s ARG 55 N -4.76 1.30 -0.29 1.61 0.52 -0.65 -5.10 118.95 111.58 1wx9 s ARG 55 Ca 0.07 -0.25 -0.29 0.00 -0.52 0.00 0.00 55.73 54.74 1wx9 s ARG 55 Cb -0.03 -1.21 -0.01 0.00 0.52 0.00 0.00 34.95 34.22 1wx9 s ARG 55 CO 0.08 -0.07 1.54 0.54 0.02 0.00 0.00 175.30 177.41 1wx9 s VAL 56 N 0.98 3.79 0.38 3.52 0.11 -1.26 -1.43 120.40 126.50 1wx9 s VAL 56 Ca -0.09 0.87 -0.27 0.00 -2.93 0.00 0.00 61.98 59.55 1wx9 s VAL 56 Cb -0.15 -3.89 -0.10 0.00 -1.53 0.00 0.00 36.38 30.71 1wx9 s VAL 56 CO 0.00 -0.44 1.39 -0.76 -3.33 0.00 0.00 175.10 171.96 1wx9 s LEU 57 N 5.34 4.30 0.13 2.54 1.43 -0.80 -4.97 118.68 126.65 1wx9 s LEU 57 Ca 0.68 2.86 -0.26 0.00 -1.03 0.00 0.00 54.13 56.37 1wx9 s LEU 57 Cb -0.21 -3.74 -0.07 0.00 0.03 0.00 0.00 46.19 42.20 1wx9 s LEU 57 CO 0.29 -0.82 0.82 -1.58 0.23 0.00 0.00 176.35 175.29 1wx9 s GLN 58 N -2.09 4.60 0.10 1.70 -0.44 -1.26 -4.82 119.66 117.46 1wx9 s GLN 58 Ca 0.54 1.21 -0.20 0.00 -2.50 0.00 0.00 55.36 54.41 1wx9 s GLN 58 Cb -0.43 -3.31 -0.08 0.00 -1.64 0.00 0.00 33.01 27.55 1wx9 s GLN 58 CO 0.57 0.42 1.68 0.38 0.50 0.00 0.00 175.29 178.84 1wx9 h ASP 59 N 4.91 0.26 -0.51 6.67 2.03 -1.93 -2.05 116.42 125.80 1wx9 h ASP 59 Ca -0.45 -0.11 0.02 0.00 -0.73 0.00 0.00 57.03 55.75 1wx9 h ASP 59 Cb 1.21 -0.07 -0.03 0.00 -0.83 0.00 0.00 39.33 39.61 1wx9 h ASP 59 CO 0.69 0.30 0.34 -0.78 -1.03 0.00 0.00 179.24 178.76 1wx9 h ASP 60 N 0.20 0.55 -3.38 4.15 1.82 -1.97 -2.54 116.42 115.26 1wx9 h ASP 60 Ca 0.07 -0.01 -0.44 0.00 -0.39 0.00 0.00 57.03 56.26 1wx9 h ASP 60 Cb 0.11 -0.13 0.20 0.00 0.68 0.00 0.00 39.33 40.18 1wx9 h ASP 60 CO -0.01 0.39 0.05 -0.54 -1.61 0.00 0.00 179.24 177.52 1wx9 s LYS 61 N -5.57 -0.71 0.22 0.28 -0.14 -0.77 -4.68 119.74 108.36 1wx9 s LYS 61 Ca -0.09 0.74 0.10 0.00 -1.36 0.00 0.00 55.97 55.36 1wx9 s LYS 61 Cb 0.18 -1.59 -0.05 0.00 -1.68 0.00 0.00 37.83 34.70 1wx9 s LYS 61 CO 0.74 -3.56 -0.20 0.15 -0.76 0.00 0.00 175.35 171.73 1wx9 s LYS 62 N -4.58 1.49 0.07 1.68 1.02 -1.26 0.26 119.74 118.42 1wx9 s LYS 62 Ca 0.68 -1.58 -0.37 0.00 0.02 0.00 0.00 55.97 54.72 1wx9 s LYS 62 Cb -0.24 -1.60 -0.20 0.00 -0.52 0.00 0.00 37.83 35.28 1wx9 s LYS 62 CO 0.63 0.32 1.58 -0.07 -0.92 0.00 0.00 175.35 176.89 1wx9 h LEU 63 N 2.83 -1.14 -0.96 3.17 -0.00 -1.78 -2.36 115.31 115.08 1wx9 h LEU 63 Ca -0.42 0.05 0.31 0.00 -0.00 0.00 0.00 57.88 57.82 1wx9 h LEU 63 Cb 1.23 0.32 -0.16 0.00 -0.00 0.00 0.00 40.66 42.04 1wx9 h LEU 63 CO 0.54 -0.74 0.34 -0.61 -0.00 0.00 0.00 178.44 177.97 1wx9 h GLN 64 N -1.20 0.14 -0.63 1.13 4.15 -1.84 0.98 115.11 117.84 1wx9 h GLN 64 Ca -0.11 -0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.40 1wx9 h GLN 64 Cb 0.94 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.53 1wx9 h GLN 64 CO 0.15 0.09 0.24 0.93 -1.93 0.00 0.00 178.83 178.31 1wx9 h GLU 65 N 0.15 0.40 0.00 1.69 5.08 -1.74 0.36 114.58 120.52 1wx9 h GLU 65 Ca 0.67 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 1wx9 h GLU 65 Cb 1.53 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1wx9 h GLU 65 CO -0.73 0.27 0.00 0.66 -1.00 0.00 0.00 179.01 178.21 1wx9 n TYR 66 N -4.99 0.00 -3.37 4.33 4.01 0.32 -4.91 117.16 112.54 1wx9 n TYR 66 Ca 0.09 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.66 1wx9 n TYR 66 Cb 0.29 -0.50 0.08 0.00 -0.31 0.00 0.00 39.34 38.90 1wx9 n TYR 66 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1wx9 n ASN 67 N -1.50 -3.12 -1.79 7.72 3.02 0.13 -4.88 115.26 114.83 1wx9 n ASN 67 Ca 0.06 -0.55 -0.10 0.00 -0.03 0.00 0.00 54.58 53.96 1wx9 n ASN 67 Cb 0.30 -4.76 0.19 0.00 -0.61 0.00 0.00 39.78 34.90 1wx9 n ASN 67 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1wx9 n VAL 68 N -4.15 2.45 -2.20 2.41 0.24 -1.19 -4.78 118.33 111.11 1wx9 n VAL 68 Ca -0.19 -1.30 -0.41 0.00 -2.04 0.00 0.00 64.34 60.40 1wx9 n VAL 68 Cb 0.63 -0.52 -0.03 0.00 -1.47 0.00 0.00 33.84 32.46 1wx9 n VAL 68 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wx9 s GLY 69 N -0.66 0.68 0.00 7.63 0.00 -1.25 -2.53 107.32 111.18 1wx9 s GLY 69 Ca 0.42 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1wx9 s GLY 69 CO 0.09 3.08 0.00 0.61 0.00 0.00 0.00 173.10 176.89 1wx9 n GLY 70 N 5.42 2.44 3.75 0.20 0.00 0.49 -4.89 105.19 112.59 1wx9 n GLY 70 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1wx9 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wx9 s LYS 71 N -0.24 1.44 -0.35 1.61 -0.14 -1.05 -4.72 119.74 116.30 1wx9 s LYS 71 Ca 0.00 0.67 -0.09 0.00 -1.36 0.00 0.00 55.97 55.19 1wx9 s LYS 71 Cb 0.00 -1.84 0.03 0.00 -1.68 0.00 0.00 37.83 34.34 1wx9 s LYS 71 CO 0.00 -2.07 0.16 0.08 -0.76 0.00 0.00 175.35 172.76 1wx9 s VAL 72 N -3.05 4.27 0.60 3.17 1.01 -1.26 -2.06 120.40 123.07 1wx9 s VAL 72 Ca 0.63 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1wx9 s VAL 72 Cb -0.16 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1wx9 s VAL 72 CO 0.56 -0.18 0.88 -0.63 0.00 0.00 0.00 175.10 175.73 1wx9 s ILE 73 N 1.50 3.24 -0.36 2.22 1.01 -0.19 -4.91 121.20 123.72 1wx9 s ILE 73 Ca 0.01 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.49 1wx9 s ILE 73 Cb -0.19 -3.29 0.10 0.00 0.01 0.00 0.00 42.46 39.09 1wx9 s ILE 73 CO 0.05 -0.28 0.08 -1.00 0.00 0.00 0.00 174.94 173.79 1wx9 s HIS 74 N -2.97 3.72 0.48 3.97 3.76 -0.52 -0.27 115.29 123.46 1wx9 s HIS 74 Ca 0.55 -2.98 -0.14 0.00 -0.15 0.00 0.00 55.06 52.34 1wx9 s HIS 74 Cb -0.10 -2.94 -0.07 0.00 1.11 0.00 0.00 32.58 30.57 1wx9 s HIS 74 CO 0.43 -0.94 0.90 -1.17 -0.85 0.00 0.00 174.74 173.12 1wx9 s LEU 75 N 0.83 3.68 -0.01 0.89 2.96 -0.16 -0.59 118.68 126.27 1wx9 s LEU 75 Ca 0.11 1.38 -0.02 0.00 -0.22 0.00 0.00 54.13 55.39 1wx9 s LEU 75 Cb -0.20 -4.31 -0.00 0.00 0.50 0.00 0.00 46.19 42.18 1wx9 s LEU 75 CO -0.07 -0.53 0.03 0.68 -1.32 0.00 0.00 176.35 175.14 1wx9 s VAL 76 N -2.57 0.03 -0.15 1.68 -7.23 -1.26 -4.59 120.40 106.31 1wx9 s VAL 76 Ca 0.56 -0.24 0.02 0.00 -1.81 0.00 0.00 61.98 60.50 1wx9 s VAL 76 Cb -0.10 -0.14 0.01 0.00 0.56 0.00 0.00 36.38 36.71 1wx9 s VAL 76 CO 0.33 -0.13 -0.20 -0.70 -0.31 0.00 0.00 175.10 174.09 1wx9 s GLU 77 N -0.39 3.07 0.68 4.82 2.12 -1.26 -3.32 118.70 124.41 1wx9 s GLU 77 Ca -0.04 -0.82 -0.17 0.00 0.36 0.00 0.00 54.97 54.29 1wx9 s GLU 77 Cb -0.03 -2.51 -0.08 0.00 0.26 0.00 0.00 34.13 31.78 1wx9 s GLU 77 CO -0.00 -0.04 0.31 0.54 -0.54 0.00 0.00 175.26 175.53 1wx9 n ARG 78 N 4.16 0.26 -3.15 4.30 3.00 -1.23 -5.00 116.66 119.00 1wx9 n ARG 78 Ca -0.20 0.12 0.05 0.00 -0.01 0.00 0.00 57.85 57.81 1wx9 n ARG 78 Cb 0.51 -1.59 -0.01 0.00 0.00 0.00 0.00 32.46 31.37 1wx9 n ARG 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wx9 s ALA 79 N -1.90 -3.11 -1.10 7.54 0.00 -1.26 -5.06 121.76 116.86 1wx9 s ALA 79 Ca 0.63 1.45 -0.18 0.00 0.00 0.00 0.00 51.96 53.86 1wx9 s ALA 79 Cb -0.38 -2.50 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 1wx9 s ALA 79 CO 0.61 -1.63 2.06 -0.35 0.00 0.00 0.00 175.76 176.45 1wx9 n PRO 80 N 5.38 2.16 0.14 0.00 -0.04 -1.26 -3.42 135.00 137.96 1wx9 n PRO 80 Ca -0.00 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.22 1wx9 n PRO 80 Cb 0.54 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 1wx9 n PRO 80 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wx9 n SER 81 N 7.03 -2.57 0.00 3.54 7.64 -1.26 -5.18 113.62 122.82 1wx9 n SER 81 Ca 0.51 0.73 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1wx9 n SER 81 Cb 0.40 2.57 0.00 0.00 -1.01 0.00 0.00 64.21 66.17 1wx9 n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wx9 n GLY 82 N -1.32 0.77 2.48 0.23 0.00 -1.22 -4.87 105.19 101.27 1wx9 n GLY 82 Ca 0.00 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 1wx9 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wx9 n PRO 83 N 0.00 2.79 -0.00 1.61 -0.04 -1.26 -4.67 135.00 133.42 1wx9 n PRO 83 Ca 0.00 -1.78 -0.15 0.00 -0.04 0.00 0.00 63.50 61.52 1wx9 n PRO 83 Cb 0.00 -2.61 -0.10 0.00 -0.04 0.00 0.00 33.50 30.75 1wx9 n PRO 83 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wx9 h SER 84 N 5.75 -1.73 0.00 3.54 0.87 -2.00 -3.45 113.55 116.53 1wx9 h SER 84 Ca 0.66 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 61.42 1wx9 h SER 84 Cb 0.21 0.67 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1wx9 h SER 84 CO 1.60 -0.49 0.00 -1.20 -0.53 0.00 0.00 176.83 176.21 1wx9 n SER 85 N -5.44 -1.91 0.00 6.23 7.64 -1.26 -5.28 113.62 113.60 1wx9 n SER 85 Ca -0.06 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1wx9 n SER 85 Cb 0.38 2.02 0.00 0.00 -1.01 0.00 0.00 64.21 65.60 1wx9 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64