#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx9 s SER 2 N 0.00 -0.44 0.16 1.61 1.04 -1.26 -5.19 113.70 109.63 1wx9 s SER 2 Ca 0.00 -0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.12 1wx9 s SER 2 Cb 0.00 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 1wx9 s SER 2 CO 0.00 -1.05 0.29 -0.44 0.98 0.00 0.00 173.24 173.02 1wx9 s SER 3 N -2.81 0.03 0.00 7.02 0.01 -1.26 -5.02 113.70 111.68 1wx9 s SER 3 Ca 0.04 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1wx9 s SER 3 Cb -0.02 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1wx9 s SER 3 CO -0.07 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.29 1wx9 n GLY 4 N -0.22 2.23 3.72 3.44 0.00 -1.26 -5.06 105.19 108.03 1wx9 n GLY 4 Ca -0.07 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1wx9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx9 s SER 5 N -4.00 6.50 -0.32 1.61 0.01 -1.26 -4.88 113.70 111.35 1wx9 s SER 5 Ca 0.00 2.71 -0.28 0.00 1.31 0.00 0.00 55.95 59.69 1wx9 s SER 5 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1wx9 s SER 5 CO 0.00 -0.89 1.87 -0.44 0.41 0.00 0.00 173.24 174.19 1wx9 s SER 6 N 1.27 5.78 0.25 2.44 0.01 -1.26 -4.94 113.70 117.26 1wx9 s SER 6 Ca 0.72 1.36 0.02 0.00 1.31 0.00 0.00 55.95 59.37 1wx9 s SER 6 Cb -0.46 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.21 1wx9 s SER 6 CO 0.32 -1.78 0.16 -0.83 0.41 0.00 0.00 173.24 171.51 1wx9 s GLY 7 N 6.58 1.78 -0.08 3.44 0.00 -1.26 -4.97 107.32 112.81 1wx9 s GLY 7 Ca 0.83 -1.80 -0.10 0.00 0.00 0.00 0.00 44.72 43.65 1wx9 s GLY 7 CO 0.33 -1.48 0.24 -2.27 0.00 0.00 0.00 173.10 169.93 1wx9 s LEU 8 N -3.27 4.42 0.07 0.66 0.20 -0.34 -4.93 118.68 115.49 1wx9 s LEU 8 Ca 0.38 0.65 -0.10 0.00 0.69 0.00 0.00 54.13 55.75 1wx9 s LEU 8 Cb 0.06 -2.27 -0.06 0.00 -0.43 0.00 0.00 46.19 43.49 1wx9 s LEU 8 CO 0.16 0.37 0.40 -0.70 -0.29 0.00 0.00 176.35 176.30 1wx9 s GLU 9 N -1.01 3.78 -0.09 1.98 2.12 -1.26 -0.98 118.70 123.23 1wx9 s GLU 9 Ca 0.18 0.21 -0.05 0.00 0.36 0.00 0.00 54.97 55.67 1wx9 s GLU 9 Cb -0.14 -3.02 0.04 0.00 0.26 0.00 0.00 34.13 31.28 1wx9 s GLU 9 CO 0.07 0.57 0.22 0.08 -0.54 0.00 0.00 175.26 175.66 1wx9 s VAL 10 N -1.37 -0.04 0.34 3.70 1.01 0.37 -0.97 120.40 123.44 1wx9 s VAL 10 Ca 0.32 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.53 1wx9 s VAL 10 Cb -0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1wx9 s VAL 10 CO 0.18 0.06 0.28 -0.76 0.00 0.00 0.00 175.10 174.86 1wx9 s LEU 11 N 1.24 3.53 -0.20 3.92 1.02 -1.02 0.19 118.68 127.37 1wx9 s LEU 11 Ca -0.09 -0.56 -0.05 0.00 0.02 0.00 0.00 54.13 53.45 1wx9 s LEU 11 Cb -0.11 -2.13 0.10 0.00 0.02 0.00 0.00 46.19 44.07 1wx9 s LEU 11 CO -0.08 -0.37 0.35 -0.69 0.02 0.00 0.00 176.35 175.58 1wx9 s VAL 12 N -2.34 -0.56 -0.35 -1.59 1.01 -0.98 -2.79 120.40 112.80 1wx9 s VAL 12 Ca 0.41 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 1wx9 s VAL 12 Cb -0.05 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.68 1wx9 s VAL 12 CO 0.26 0.00 0.19 -0.75 0.00 0.00 0.00 175.10 174.80 1wx9 s LYS 13 N 2.53 3.06 0.84 2.72 2.20 -0.01 -2.07 119.74 129.00 1wx9 s LYS 13 Ca 0.04 -0.92 -0.12 0.00 -0.36 0.00 0.00 55.97 54.61 1wx9 s LYS 13 Cb -0.13 -3.68 0.12 0.00 -1.51 0.00 0.00 37.83 32.62 1wx9 s LYS 13 CO -0.13 -0.58 1.20 0.95 -0.36 0.00 0.00 175.35 176.43 1wx9 s THR 14 N 1.59 2.04 -1.00 3.43 -4.23 -1.18 -3.48 115.64 112.80 1wx9 s THR 14 Ca 0.03 -0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 60.41 1wx9 s THR 14 Cb -0.18 -2.99 -0.12 0.00 1.34 0.00 0.00 72.50 70.55 1wx9 s THR 14 CO 0.07 0.00 2.80 0.18 -0.54 0.00 0.00 174.62 177.13 1wx9 n LEU 15 N -3.39 6.62 -1.29 4.79 7.99 -1.26 -2.94 117.00 127.52 1wx9 n LEU 15 Ca 0.10 -3.56 -0.01 0.00 -0.01 0.00 0.00 56.01 52.53 1wx9 n LEU 15 Cb 0.60 -1.35 0.01 0.00 -0.11 0.00 0.00 43.42 42.58 1wx9 n LEU 15 CO 0.53 1.52 0.24 -0.67 -1.51 0.00 0.00 177.39 177.49 1wx9 n ASP 16 N 3.46 -0.37 -3.60 -1.43 -0.08 -1.26 -4.97 116.55 108.31 1wx9 n ASP 16 Ca 0.59 -1.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.55 1wx9 n ASP 16 Cb 0.36 0.15 0.02 0.00 2.34 0.00 0.00 41.12 43.98 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 -0.25 -4.94 -3.27 1.67 2.88 -1.15 -4.95 113.62 103.61 1wx9 n SER 17 Ca -0.07 -0.56 -0.13 0.00 -1.33 0.00 0.00 58.87 56.78 1wx9 n SER 17 Cb 0.51 -1.53 -0.06 0.00 -0.75 0.00 0.00 64.21 62.37 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 -3.63 0.75 0.10 -1.46 -0.21 -1.26 -4.99 119.66 108.96 1wx9 s GLN 18 Ca 0.19 -0.91 -0.24 0.00 0.02 0.00 0.00 55.36 54.42 1wx9 s GLN 18 Cb -0.02 -0.57 -0.07 0.00 1.00 0.00 0.00 33.01 33.35 1wx9 s GLN 18 CO 0.86 -1.23 0.72 0.99 -2.12 0.00 0.00 175.29 174.51 1wx9 s THR 19 N 1.30 4.57 -0.11 -0.19 2.01 -1.25 -3.11 115.64 118.85 1wx9 s THR 19 Ca 0.20 1.56 -0.01 0.00 0.31 0.00 0.00 61.69 63.75 1wx9 s THR 19 Cb -0.10 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.37 1wx9 s THR 19 CO -0.05 0.48 -0.02 -0.13 -0.69 0.00 0.00 174.62 174.21 1wx9 s ARG 20 N -0.77 0.98 0.21 4.92 0.52 -0.88 -4.91 118.95 119.02 1wx9 s ARG 20 Ca 0.35 -0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 55.11 1wx9 s ARG 20 Cb -0.21 -1.44 -0.08 0.00 0.52 0.00 0.00 34.95 33.73 1wx9 s ARG 20 CO 0.23 -0.36 1.04 0.99 0.02 0.00 0.00 175.30 177.22 1wx9 s THR 21 N 1.84 3.92 0.02 0.02 2.01 -1.26 -2.32 115.64 119.86 1wx9 s THR 21 Ca 0.04 1.78 0.03 0.00 0.31 0.00 0.00 61.69 63.85 1wx9 s THR 21 Cb -0.13 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 1wx9 s THR 21 CO -0.07 0.36 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.78 1wx9 s PHE 22 N -0.69 0.81 -0.34 4.92 0.08 0.49 -4.92 117.98 118.33 1wx9 s PHE 22 Ca 0.45 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.24 1wx9 s PHE 22 Cb -0.28 -0.50 0.08 0.00 -0.57 0.00 0.00 43.02 41.75 1wx9 s PHE 22 CO 0.35 -0.02 0.06 0.42 -0.10 0.00 0.00 175.22 175.94 1wx9 s ILE 23 N -0.61 2.78 0.23 0.64 -1.09 -1.26 0.14 121.20 122.03 1wx9 s ILE 23 Ca -0.00 -1.88 0.06 0.00 -2.23 0.00 0.00 60.65 56.59 1wx9 s ILE 23 Cb -0.06 -2.82 -0.05 0.00 -1.58 0.00 0.00 42.46 37.95 1wx9 s ILE 23 CO 0.00 -0.41 -0.07 0.68 -1.23 0.00 0.00 174.94 173.91 1wx9 s VAL 24 N 1.10 1.45 -0.02 2.92 -7.23 -0.15 -4.92 120.40 113.55 1wx9 s VAL 24 Ca 0.03 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 57.79 1wx9 s VAL 24 Cb -0.21 -2.26 -0.06 0.00 0.56 0.00 0.00 36.38 34.42 1wx9 s VAL 24 CO -0.04 -0.43 1.54 -0.83 -0.31 0.00 0.00 175.10 175.03 1wx9 s GLY 25 N -3.35 1.65 0.40 2.32 0.00 -1.26 -1.20 107.32 105.88 1wx9 s GLY 25 Ca 0.26 0.93 0.22 0.00 0.00 0.00 0.00 44.72 46.14 1wx9 s GLY 25 CO 0.09 2.80 1.66 0.00 0.00 0.00 0.00 173.10 177.64 1wx9 h ALA 26 N 8.64 2.36 -0.78 3.20 0.00 -1.93 1.44 119.26 132.20 1wx9 h ALA 26 Ca -0.38 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1wx9 h ALA 26 Cb 1.18 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1wx9 h ALA 26 CO 0.93 -0.96 0.51 1.96 0.00 0.00 0.00 179.25 181.70 1wx9 h GLN 27 N 0.21 1.02 -5.11 0.00 4.20 -2.01 -3.33 115.11 110.09 1wx9 h GLN 27 Ca 0.75 -0.06 -0.53 0.00 0.06 0.00 0.00 58.65 58.87 1wx9 h GLN 27 Cb 2.07 -0.23 0.13 0.00 0.30 0.00 0.00 27.48 29.75 1wx9 h GLN 27 CO -0.47 0.67 -0.77 -0.12 -0.67 0.00 0.00 178.83 177.47 1wx9 n MET 28 N -4.55 0.00 -3.15 1.46 1.56 0.49 -4.86 117.12 108.07 1wx9 n MET 28 Ca 0.08 0.00 -0.21 0.00 -0.27 0.00 0.00 57.70 57.30 1wx9 n MET 28 Cb 0.02 -0.85 0.01 0.00 2.15 0.00 0.00 33.22 34.55 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 -0.85 5.81 0.17 6.12 4.22 -1.26 -3.64 114.94 125.51 1wx9 s ASN 29 Ca 0.51 -0.01 -0.15 0.00 -2.14 0.00 0.00 52.86 51.08 1wx9 s ASN 29 Cb -0.57 -1.26 0.14 0.00 1.28 0.00 0.00 41.25 40.83 1wx9 s ASN 29 CO 0.53 -0.64 1.71 0.58 -2.04 0.00 0.00 177.10 177.23 1wx9 h VAL 30 N 0.59 0.71 0.04 3.54 2.07 0.12 -0.71 116.25 122.62 1wx9 h VAL 30 Ca -0.45 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1wx9 h VAL 30 Cb 1.26 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1wx9 h VAL 30 CO 0.54 0.03 -0.13 0.50 0.02 0.00 0.00 177.57 178.53 1wx9 h LYS 31 N 0.15 -0.19 -0.99 1.57 3.64 -1.67 -0.71 116.57 118.38 1wx9 h LYS 31 Ca 0.21 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.74 1wx9 h LYS 31 Cb 0.29 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.01 1wx9 h LYS 31 CO -0.32 -0.12 -0.44 0.39 -2.27 0.00 0.00 179.45 176.68 1wx9 n GLU 32 N -3.16 -0.29 -0.25 1.90 1.02 -1.05 0.73 120.64 119.54 1wx9 n GLU 32 Ca -0.02 1.51 0.04 0.00 -0.02 0.00 0.00 57.16 58.67 1wx9 n GLU 32 Cb 0.10 -2.24 0.13 0.00 -0.02 0.00 0.00 31.44 29.42 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 -0.12 -0.66 -0.32 3.57 -0.70 0.45 116.94 119.16 1wx9 h PHE 33 Ca 0.29 0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.96 1wx9 h PHE 33 Cb 0.54 0.17 -0.08 0.00 2.79 0.00 0.00 35.95 39.37 1wx9 h PHE 33 CO -0.91 -0.25 0.24 0.87 -2.23 0.00 0.00 178.31 176.03 1wx9 h LYS 34 N 0.08 0.39 -0.13 1.11 1.57 0.18 0.43 116.57 120.21 1wx9 h LYS 34 Ca 0.38 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.07 1wx9 h LYS 34 Cb 0.65 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1wx9 h LYS 34 CO -0.66 0.26 -0.26 0.93 -0.57 0.00 0.00 179.45 179.15 1wx9 h GLU 35 N 0.41 0.24 0.46 3.15 5.08 0.52 1.46 114.58 125.89 1wx9 h GLU 35 Ca 0.34 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1wx9 h GLU 35 Cb 0.46 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1wx9 h GLU 35 CO -0.35 0.49 -0.22 1.25 -1.00 0.00 0.00 179.01 179.18 1wx9 h HIS 36 N 0.21 -0.57 -0.14 4.33 2.76 0.26 -3.20 115.15 118.81 1wx9 h HIS 36 Ca 0.03 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.08 1wx9 h HIS 36 Cb 0.58 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 1wx9 h HIS 36 CO 0.01 -0.26 -0.40 -0.84 -1.30 0.00 0.00 177.93 175.15 1wx9 h ILE 37 N -1.01 1.30 -1.82 6.26 3.07 -0.27 -2.78 117.51 122.27 1wx9 h ILE 37 Ca -0.06 -1.51 0.54 0.00 1.55 0.00 0.00 64.86 65.37 1wx9 h ILE 37 Cb 0.58 1.64 -0.08 0.00 -0.27 0.00 0.00 36.82 38.68 1wx9 h ILE 37 CO 0.10 0.46 1.30 0.00 -1.05 0.00 0.00 178.15 178.96 1wx9 h ALA 38 N 1.32 3.66 0.32 0.16 0.00 0.21 1.32 119.26 126.24 1wx9 h ALA 38 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wx9 h ALA 38 Cb 0.82 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wx9 h ALA 38 CO 0.07 -2.22 -0.15 0.00 0.00 0.00 0.00 179.25 176.94 1wx9 h ALA 39 N 1.13 -0.43 0.47 0.00 0.00 -1.54 0.51 119.26 119.40 1wx9 h ALA 39 Ca 0.90 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.59 1wx9 h ALA 39 Cb 3.50 0.17 0.00 0.00 0.00 0.00 0.00 17.79 21.46 1wx9 h ALA 39 CO -0.07 -0.55 -0.22 1.03 0.00 0.00 0.00 179.25 179.44 1wx9 h SER 40 N -0.82 -0.53 -0.49 0.00 0.87 0.13 -2.97 113.55 109.74 1wx9 h SER 40 Ca -0.04 0.02 0.14 0.00 -1.23 0.00 0.00 61.79 60.68 1wx9 h SER 40 Cb 0.52 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1wx9 h SER 40 CO 0.07 -0.27 0.41 -0.37 -0.53 0.00 0.00 176.83 176.14 1wx9 h VAL 41 N -0.85 0.58 -1.10 2.23 -1.51 -0.24 -3.45 116.25 111.92 1wx9 h VAL 41 Ca -0.06 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 65.21 1wx9 h VAL 41 Cb 0.48 0.70 -0.03 0.00 -2.13 0.00 0.00 31.29 30.31 1wx9 h VAL 41 CO 0.11 0.00 -0.23 -1.20 -1.23 0.00 0.00 177.57 175.02 1wx9 n SER 42 N -4.11 -3.60 -4.22 4.19 7.64 0.17 -5.01 113.62 108.68 1wx9 n SER 42 Ca 0.09 0.07 -0.27 0.00 1.01 0.00 0.00 58.87 59.77 1wx9 n SER 42 Cb 0.62 -2.57 -0.15 0.00 -1.01 0.00 0.00 64.21 61.09 1wx9 n SER 42 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wx9 s ILE 43 N -2.45 1.63 0.35 0.44 1.01 -0.59 -4.98 121.20 116.61 1wx9 s ILE 43 Ca 0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 60.65 59.44 1wx9 s ILE 43 Cb 0.00 -1.37 -0.09 0.00 0.01 0.00 0.00 42.46 41.01 1wx9 s ILE 43 CO 0.00 0.40 1.06 -2.16 0.00 0.00 0.00 174.94 174.25 1wx9 s PRO 44 N -0.63 4.36 0.24 2.79 0.04 -1.26 -4.01 135.00 136.53 1wx9 s PRO 44 Ca 0.08 1.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 1wx9 s PRO 44 Cb -0.08 -2.80 0.41 0.00 0.04 0.00 0.00 34.50 32.07 1wx9 s PRO 44 CO -0.00 0.01 1.75 0.66 0.04 0.00 0.00 177.00 179.46 1wx9 h SER 45 N 3.03 0.38 0.00 6.66 4.64 -1.90 0.94 113.55 127.30 1wx9 h SER 45 Ca -0.48 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1wx9 h SER 45 Cb 1.21 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1wx9 h SER 45 CO 0.64 0.18 0.03 1.05 -0.87 0.00 0.00 176.83 177.87 1wx9 h GLU 46 N 0.53 0.00 0.00 4.77 4.11 -1.97 0.15 114.58 122.17 1wx9 h GLU 46 Ca 0.39 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.74 1wx9 h GLU 46 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1wx9 h GLU 46 CO -0.34 0.00 -1.77 1.63 0.07 0.00 0.00 179.01 178.60 1wx9 n LYS 47 N -2.36 0.86 -1.93 1.06 5.02 0.26 -4.99 118.16 116.08 1wx9 n LYS 47 Ca -0.02 -0.10 -0.31 0.00 -2.02 0.00 0.00 58.31 55.87 1wx9 n LYS 47 Cb 0.07 -1.35 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.81 3.64 -0.45 1.97 -0.21 0.22 -3.11 119.66 118.90 1wx9 s GLN 48 Ca -0.06 0.77 0.07 0.00 0.02 0.00 0.00 55.36 56.16 1wx9 s GLN 48 Cb 0.08 -2.09 0.18 0.00 1.00 0.00 0.00 33.01 32.18 1wx9 s GLN 48 CO 0.60 -0.54 0.63 0.50 -2.12 0.00 0.00 175.29 174.37 1wx9 s ARG 49 N -5.06 0.92 0.08 2.91 3.52 -1.14 -4.89 118.95 115.29 1wx9 s ARG 49 Ca 0.55 -0.75 -0.31 0.00 -0.13 0.00 0.00 55.73 55.09 1wx9 s ARG 49 Cb -0.11 -0.12 -0.09 0.00 -1.56 0.00 0.00 34.95 33.08 1wx9 s ARG 49 CO 0.52 -1.26 1.71 -0.51 -0.81 0.00 0.00 175.30 174.95 1wx9 s LEU 50 N 1.30 4.38 -0.08 -0.88 1.43 -1.26 -3.41 118.68 120.15 1wx9 s LEU 50 Ca 0.23 2.56 0.01 0.00 -1.03 0.00 0.00 54.13 55.90 1wx9 s LEU 50 Cb -0.03 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.65 1wx9 s LEU 50 CO -0.06 -0.92 -0.10 -0.63 0.23 0.00 0.00 176.35 174.86 1wx9 s ILE 51 N 2.74 1.07 -0.20 -0.59 1.01 0.10 0.06 121.20 125.40 1wx9 s ILE 51 Ca 0.76 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 61.00 1wx9 s ILE 51 Cb -0.41 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.03 1wx9 s ILE 51 CO 0.34 0.35 -0.10 -0.47 0.00 0.00 0.00 174.94 175.06 1wx9 s TYR 52 N 1.05 2.88 0.00 3.97 5.04 -0.61 -0.74 117.35 128.93 1wx9 s TYR 52 Ca -0.07 -1.11 0.00 0.00 -2.44 0.00 0.00 57.07 53.44 1wx9 s TYR 52 Cb -0.15 -2.01 0.00 0.00 0.35 0.00 0.00 41.96 40.15 1wx9 s TYR 52 CO -0.01 -0.58 0.00 1.04 -1.34 0.00 0.00 175.55 174.66 1wx9 n GLN 53 N 4.57 0.00 -1.02 4.97 1.13 -1.26 -1.81 117.38 123.96 1wx9 n GLN 53 Ca -0.19 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 54.87 1wx9 n GLN 53 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 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 0.00 -0.53 2.83 1.08 0.00 -1.26 -5.14 105.19 102.17 1wx9 n GLY 54 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1wx9 n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wx9 s ARG 55 N 0.01 0.26 -0.46 1.61 1.70 -0.75 -5.10 118.95 116.21 1wx9 s ARG 55 Ca 0.00 0.05 -0.28 0.00 -0.47 0.00 0.00 55.73 55.03 1wx9 s ARG 55 Cb 0.02 -0.41 0.01 0.00 -0.57 0.00 0.00 34.95 34.00 1wx9 s ARG 55 CO -0.01 -0.10 1.41 0.54 -1.08 0.00 0.00 175.30 176.06 1wx9 s VAL 56 N 0.81 3.87 0.03 4.99 0.11 -1.26 -1.58 120.40 127.38 1wx9 s VAL 56 Ca -0.08 0.85 -0.34 0.00 -2.93 0.00 0.00 61.98 59.48 1wx9 s VAL 56 Cb -0.11 -4.29 -0.12 0.00 -1.53 0.00 0.00 36.38 30.33 1wx9 s VAL 56 CO -0.01 -0.89 1.77 0.18 -3.33 0.00 0.00 175.10 172.81 1wx9 n LEU 57 N 9.08 3.41 -4.77 2.54 4.77 0.11 -4.91 117.00 127.24 1wx9 n LEU 57 Ca 0.15 1.01 -0.39 0.00 -0.03 0.00 0.00 56.01 56.76 1wx9 n LEU 57 Cb 0.48 -1.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.14 1wx9 n LEU 57 CO 0.71 -0.11 0.88 -1.10 -1.33 0.00 0.00 177.39 176.44 1wx9 s GLN 58 N 2.75 4.12 0.04 3.23 1.11 -1.26 -4.70 119.66 124.95 1wx9 s GLN 58 Ca 0.86 1.94 -0.28 0.00 0.01 0.00 0.00 55.36 57.89 1wx9 s GLN 58 Cb -0.65 -2.78 -0.17 0.00 -1.01 0.00 0.00 33.01 28.39 1wx9 s GLN 58 CO 0.44 -0.29 1.42 0.38 0.01 0.00 0.00 175.29 177.26 1wx9 h ASP 59 N 2.84 -0.56 -1.00 5.90 3.04 -1.93 -2.73 116.42 121.97 1wx9 h ASP 59 Ca -0.49 -0.05 0.19 0.00 -3.24 0.00 0.00 57.03 53.44 1wx9 h ASP 59 Cb 1.23 0.14 -0.11 0.00 -1.04 0.00 0.00 39.33 39.56 1wx9 h ASP 59 CO 0.63 -0.28 0.61 -0.78 -2.04 0.00 0.00 179.24 177.38 1wx9 h ASP 60 N -0.83 0.79 -3.35 4.15 3.58 -1.97 -2.54 116.42 116.25 1wx9 h ASP 60 Ca -0.07 0.09 -0.46 0.00 0.42 0.00 0.00 57.03 57.02 1wx9 h ASP 60 Cb 0.58 -0.05 0.22 0.00 1.72 0.00 0.00 39.33 41.80 1wx9 h ASP 60 CO 0.11 0.28 -0.10 0.29 -2.88 0.00 0.00 179.24 176.95 1wx9 n LYS 61 N -4.76 -1.91 -4.44 0.28 4.76 -1.03 -4.63 118.16 106.44 1wx9 n LYS 61 Ca 0.23 -0.52 -0.25 0.00 -2.87 0.00 0.00 58.31 54.90 1wx9 n LYS 61 Cb 0.57 -2.15 -0.11 0.00 -1.84 0.00 0.00 35.03 31.50 1wx9 n LYS 61 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wx9 s LYS 62 N -4.32 1.59 0.08 1.97 1.02 -1.26 0.32 119.74 119.14 1wx9 s LYS 62 Ca 0.67 -1.64 -0.35 0.00 0.02 0.00 0.00 55.97 54.66 1wx9 s LYS 62 Cb -0.24 -1.79 -0.17 0.00 -0.52 0.00 0.00 37.83 35.11 1wx9 s LYS 62 CO 0.64 0.36 1.58 -0.07 -0.92 0.00 0.00 175.35 176.94 1wx9 h LEU 63 N 2.74 -1.23 -0.79 3.17 -0.00 -1.79 -2.71 115.31 114.70 1wx9 h LEU 63 Ca -0.43 0.08 0.13 0.00 -0.00 0.00 0.00 57.88 57.66 1wx9 h LEU 63 Cb 1.23 0.38 -0.14 0.00 -0.00 0.00 0.00 40.66 42.14 1wx9 h LEU 63 CO 0.54 -0.67 -0.37 -0.61 -0.00 0.00 0.00 178.44 177.33 1wx9 h GLN 64 N -1.04 -0.08 -1.00 1.13 4.15 -1.84 0.40 115.11 116.83 1wx9 h GLN 64 Ca -0.08 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.55 1wx9 h GLN 64 Cb 0.87 0.02 -0.19 0.00 0.21 0.00 0.00 27.48 28.39 1wx9 h GLN 64 CO 0.02 -0.05 -0.26 0.93 -1.93 0.00 0.00 178.83 177.54 1wx9 h GLU 65 N -0.08 -0.00 -0.06 1.69 5.08 -1.79 1.43 114.58 120.84 1wx9 h GLU 65 Ca 0.29 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.50 1wx9 h GLU 65 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1wx9 h GLU 65 CO -0.83 -0.00 -0.60 1.88 -1.00 0.00 0.00 179.01 178.46 1wx9 h TYR 66 N -0.00 0.27 -1.64 4.33 0.05 -0.19 -3.48 116.97 116.31 1wx9 h TYR 66 Ca 0.47 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 59.15 1wx9 h TYR 66 Cb 0.72 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1wx9 h TYR 66 CO -0.77 0.75 0.00 -1.71 -1.05 0.00 0.00 178.16 175.38 1wx9 n ASN 67 N -3.87 -1.85 -1.14 3.88 5.15 0.49 -4.95 115.26 112.98 1wx9 n ASN 67 Ca -0.02 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.00 1wx9 n ASN 67 Cb 0.61 -0.46 0.21 0.00 -0.53 0.00 0.00 39.78 39.61 1wx9 n ASN 67 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1wx9 n VAL 68 N -1.23 1.28 -1.68 3.44 0.24 -1.22 -4.81 118.33 114.35 1wx9 n VAL 68 Ca 0.00 -0.70 -0.43 0.00 -2.04 0.00 0.00 64.34 61.17 1wx9 n VAL 68 Cb 0.46 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.55 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 -0.53 0.95 0.00 7.63 0.00 -1.25 -0.78 107.32 113.34 1wx9 s GLY 69 Ca 0.28 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.97 1wx9 s GLY 69 CO 0.10 3.60 0.00 0.61 0.00 0.00 0.00 173.10 177.41 1wx9 n GLY 70 N 5.17 0.31 3.94 0.20 0.00 -0.14 -4.95 105.19 109.72 1wx9 n GLY 70 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.88 2.69 -0.31 1.61 -0.14 0.04 -4.89 119.74 117.87 1wx9 s LYS 71 Ca 0.00 -0.33 -0.07 0.00 -1.36 0.00 0.00 55.97 54.21 1wx9 s LYS 71 Cb 0.00 -2.35 0.01 0.00 -1.68 0.00 0.00 37.83 33.81 1wx9 s LYS 71 CO 0.00 -0.75 0.10 0.08 -0.76 0.00 0.00 175.35 174.02 1wx9 s VAL 72 N -2.92 4.04 0.60 3.17 1.01 -1.26 -2.44 120.40 122.60 1wx9 s VAL 72 Ca 0.55 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 1wx9 s VAL 72 Cb -0.10 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.20 1wx9 s VAL 72 CO 0.42 0.02 0.84 -0.63 0.00 0.00 0.00 175.10 175.75 1wx9 s ILE 73 N 1.50 2.54 -0.38 2.22 1.01 -1.12 -4.88 121.20 122.09 1wx9 s ILE 73 Ca 0.02 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1wx9 s ILE 73 Cb -0.18 -2.94 0.11 0.00 0.01 0.00 0.00 42.46 39.47 1wx9 s ILE 73 CO 0.03 0.00 0.12 -1.00 0.00 0.00 0.00 174.94 174.10 1wx9 s HIS 74 N -2.88 2.86 0.16 3.97 3.76 0.08 -0.83 115.29 122.41 1wx9 s HIS 74 Ca 0.59 -2.61 -0.15 0.00 -0.15 0.00 0.00 55.06 52.74 1wx9 s HIS 74 Cb -0.10 -2.44 -0.07 0.00 1.11 0.00 0.00 32.58 31.08 1wx9 s HIS 74 CO 0.40 -0.87 0.57 -1.17 -0.85 0.00 0.00 174.74 172.82 1wx9 s LEU 75 N 0.81 4.32 0.05 0.89 2.96 -1.23 -0.72 118.68 125.77 1wx9 s LEU 75 Ca 0.13 1.11 0.04 0.00 -0.22 0.00 0.00 54.13 55.19 1wx9 s LEU 75 Cb -0.20 -3.35 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1wx9 s LEU 75 CO -0.10 0.08 -0.12 0.68 -1.32 0.00 0.00 176.35 175.57 1wx9 s VAL 76 N -1.50 0.92 -0.16 1.68 -7.23 -1.22 -4.41 120.40 108.48 1wx9 s VAL 76 Ca 0.39 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1wx9 s VAL 76 Cb -0.15 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 35.90 1wx9 s VAL 76 CO 0.19 -0.21 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.90 1wx9 s GLU 77 N -1.50 3.14 1.10 4.82 2.12 -1.26 -2.87 118.70 124.26 1wx9 s GLU 77 Ca -0.03 -0.78 -0.19 0.00 0.36 0.00 0.00 54.97 54.33 1wx9 s GLU 77 Cb -0.09 -2.58 0.11 0.00 0.26 0.00 0.00 34.13 31.83 1wx9 s GLU 77 CO 0.01 -0.03 -0.02 0.54 -0.54 0.00 0.00 175.26 175.22 1wx9 n ARG 78 N 4.16 -1.75 -0.87 4.30 1.74 -1.18 -4.80 116.66 118.26 1wx9 n ARG 78 Ca -0.19 -0.50 0.04 0.00 -0.77 0.00 0.00 57.85 56.42 1wx9 n ARG 78 Cb 0.51 -1.61 -0.02 0.00 -1.02 0.00 0.00 32.46 30.32 1wx9 n ARG 78 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wx9 n ALA 79 N -4.42 -1.63 -2.08 7.54 0.00 -1.26 -4.85 120.51 113.81 1wx9 n ALA 79 Ca 0.02 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 1wx9 n ALA 79 Cb 0.58 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 1wx9 n ALA 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wx9 s PRO 80 N -4.44 4.56 -0.00 0.00 0.04 -1.26 -4.95 135.00 128.96 1wx9 s PRO 80 Ca 0.00 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.73 1wx9 s PRO 80 Cb 0.00 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1wx9 s PRO 80 CO 0.00 0.03 -0.12 0.43 0.04 0.00 0.00 177.00 177.38 1wx9 n SER 81 N 2.47 1.33 0.00 6.66 7.64 -1.26 -5.15 113.62 125.31 1wx9 n SER 81 Ca 0.03 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1wx9 n SER 81 Cb 0.46 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 2.79 -3.36 3.80 0.23 0.00 -1.26 -4.97 105.19 102.41 1wx9 n GLY 82 Ca -0.06 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 1wx9 n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wx9 s PRO 83 N -0.81 3.80 -0.06 1.61 0.04 -1.26 -5.06 135.00 133.26 1wx9 s PRO 83 Ca 0.00 1.36 0.03 0.00 0.04 0.00 0.00 61.00 62.43 1wx9 s PRO 83 Cb 0.00 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1wx9 s PRO 83 CO 0.00 -0.43 -0.14 0.45 0.04 0.00 0.00 177.00 176.92 1wx9 s SER 84 N -1.99 1.91 -0.07 6.66 0.15 -1.26 -5.09 113.70 114.02 1wx9 s SER 84 Ca 0.67 -0.32 -0.29 0.00 0.70 0.00 0.00 55.95 56.71 1wx9 s SER 84 Cb -0.16 -0.76 -0.07 0.00 -1.71 0.00 0.00 66.02 63.32 1wx9 s SER 84 CO 0.20 0.08 1.98 -0.55 1.20 0.00 0.00 173.24 176.14 1wx9 s SER 85 N 0.43 6.19 0.00 5.45 0.15 -1.26 -5.14 113.70 119.52 1wx9 s SER 85 Ca -0.11 2.32 0.00 0.00 0.70 0.00 0.00 55.95 58.86 1wx9 s SER 85 Cb -0.14 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1wx9 s SER 85 CO 0.03 -1.31 0.49 0.61 1.20 0.00 0.00 173.24 174.26