#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 0.00 -4.02 1.61 2.88 -1.26 -5.18 113.62 107.65 1wx9 n SER 2 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1wx9 n SER 2 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1wx9 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wx9 s SER 3 N 0.00 0.58 -0.80 -3.46 0.15 -1.26 -5.10 113.70 103.82 1wx9 s SER 3 Ca 0.00 -0.49 -0.23 0.00 0.70 0.00 0.00 55.95 55.93 1wx9 s SER 3 Cb 0.00 0.05 0.07 0.00 -1.71 0.00 0.00 66.02 64.43 1wx9 s SER 3 CO 0.00 -0.22 1.15 -0.83 1.20 0.00 0.00 173.24 174.54 1wx9 s GLY 4 N -1.40 1.37 -0.15 9.45 0.00 -1.26 -4.92 107.32 110.41 1wx9 s GLY 4 Ca -0.11 -2.01 -0.31 0.00 0.00 0.00 0.00 44.72 42.29 1wx9 s GLY 4 CO -0.00 2.29 1.05 -0.45 0.00 0.00 0.00 173.10 175.98 1wx9 s SER 5 N 3.91 -0.29 0.48 1.64 0.15 -1.26 -5.17 113.70 113.16 1wx9 s SER 5 Ca 0.31 0.21 -0.13 0.00 0.70 0.00 0.00 55.95 57.05 1wx9 s SER 5 Cb -0.09 0.26 -0.06 0.00 -1.71 0.00 0.00 66.02 64.41 1wx9 s SER 5 CO 0.03 -0.35 0.89 -0.44 1.20 0.00 0.00 173.24 174.57 1wx9 s SER 6 N -1.57 6.51 -0.02 5.45 0.01 -1.26 -5.05 113.70 117.77 1wx9 s SER 6 Ca 0.03 1.33 -0.14 0.00 1.31 0.00 0.00 55.95 58.47 1wx9 s SER 6 Cb -0.01 -2.41 0.05 0.00 0.21 0.00 0.00 66.02 63.86 1wx9 s SER 6 CO -0.03 -0.55 0.64 0.61 0.41 0.00 0.00 173.24 174.33 1wx9 n GLY 7 N -1.66 0.39 3.78 3.44 0.00 -1.26 -4.96 105.19 104.92 1wx9 n GLY 7 Ca 0.04 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 1wx9 n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wx9 s LEU 8 N 0.00 4.38 0.14 0.99 0.20 0.09 -4.89 118.68 119.60 1wx9 s LEU 8 Ca 0.15 0.91 -0.15 0.00 0.69 0.00 0.00 54.13 55.74 1wx9 s LEU 8 Cb -0.00 -2.66 -0.07 0.00 -0.43 0.00 0.00 46.19 43.03 1wx9 s LEU 8 CO -0.01 0.17 0.55 -0.70 -0.29 0.00 0.00 176.35 176.08 1wx9 s GLU 9 N -0.27 4.00 -0.10 1.98 2.12 -1.26 -0.77 118.70 124.41 1wx9 s GLU 9 Ca 0.25 0.52 -0.04 0.00 0.36 0.00 0.00 54.97 56.05 1wx9 s GLU 9 Cb -0.16 -2.95 0.05 0.00 0.26 0.00 0.00 34.13 31.32 1wx9 s GLU 9 CO 0.12 0.49 0.22 0.08 -0.54 0.00 0.00 175.26 175.63 1wx9 s VAL 10 N -1.44 -0.08 0.40 3.70 1.01 0.50 -0.78 120.40 123.71 1wx9 s VAL 10 Ca 0.37 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.60 1wx9 s VAL 10 Cb -0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 1wx9 s VAL 10 CO 0.19 0.07 0.44 -0.76 0.00 0.00 0.00 175.10 175.04 1wx9 s LEU 11 N 1.36 3.54 -0.26 3.92 1.02 -1.06 0.17 118.68 127.37 1wx9 s LEU 11 Ca -0.08 -0.57 -0.06 0.00 0.02 0.00 0.00 54.13 53.43 1wx9 s LEU 11 Cb -0.11 -2.32 0.13 0.00 0.02 0.00 0.00 46.19 43.91 1wx9 s LEU 11 CO -0.08 -0.64 0.52 -0.69 0.02 0.00 0.00 176.35 175.48 1wx9 s VAL 12 N -2.39 -0.81 -0.38 -1.59 1.01 -0.96 -3.24 120.40 112.03 1wx9 s VAL 12 Ca 0.49 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.46 1wx9 s VAL 12 Cb -0.06 -0.85 0.07 0.00 0.00 0.00 0.00 36.38 35.53 1wx9 s VAL 12 CO 0.30 0.01 0.17 -0.75 0.00 0.00 0.00 175.10 174.82 1wx9 s LYS 13 N 2.74 2.50 0.40 2.72 2.20 -0.72 -1.86 119.74 127.72 1wx9 s LYS 13 Ca 0.03 -1.39 -0.07 0.00 -0.36 0.00 0.00 55.97 54.19 1wx9 s LYS 13 Cb -0.13 -3.58 0.10 0.00 -1.51 0.00 0.00 37.83 32.71 1wx9 s LYS 13 CO -0.17 -0.83 0.37 0.25 -0.36 0.00 0.00 175.35 174.61 1wx9 n THR 14 N 4.80 0.00 -1.18 3.43 -2.24 -1.24 -3.91 114.28 113.94 1wx9 n THR 14 Ca -0.10 -0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.31 1wx9 n THR 14 Cb 0.43 -1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 67.50 1wx9 n THR 14 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wx9 n LEU 15 N 0.00 6.17 -0.90 3.22 4.77 -1.26 -3.40 117.00 125.61 1wx9 n LEU 15 Ca 0.05 -3.59 -0.06 0.00 -0.03 0.00 0.00 56.01 52.38 1wx9 n LEU 15 Cb 0.20 -1.21 -0.06 0.00 -2.33 0.00 0.00 43.42 40.01 1wx9 n LEU 15 CO 0.14 1.54 0.33 -0.67 -1.33 0.00 0.00 177.39 177.40 1wx9 n ASP 16 N 1.07 -0.80 -3.61 -1.43 2.03 -1.26 -5.04 116.55 107.51 1wx9 n ASP 16 Ca 0.40 -1.79 -0.19 0.00 0.52 0.00 0.00 54.79 53.73 1wx9 n ASP 16 Cb 0.62 0.24 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 1wx9 n ASP 16 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1wx9 n SER 17 N 0.00 -5.59 -3.37 1.67 2.88 -1.22 -4.96 113.62 103.03 1wx9 n SER 17 Ca -0.22 -0.75 -0.26 0.00 -1.33 0.00 0.00 58.87 56.31 1wx9 n SER 17 Cb 0.66 -2.61 -0.10 0.00 -0.75 0.00 0.00 64.21 61.41 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 -4.49 0.85 0.12 -1.46 -0.21 -1.26 -4.99 119.66 108.23 1wx9 s GLN 18 Ca 0.01 -1.92 -0.30 0.00 0.02 0.00 0.00 55.36 53.17 1wx9 s GLN 18 Cb -0.00 -1.31 -0.06 0.00 1.00 0.00 0.00 33.01 32.63 1wx9 s GLN 18 CO 0.86 -1.36 1.09 0.99 -2.12 0.00 0.00 175.29 174.75 1wx9 s THR 19 N 0.27 4.10 -0.12 -0.19 2.01 -1.25 -3.64 115.64 116.81 1wx9 s THR 19 Ca 0.30 1.69 -0.01 0.00 0.31 0.00 0.00 61.69 63.98 1wx9 s THR 19 Cb -0.00 -4.08 0.04 0.00 0.01 0.00 0.00 72.50 68.46 1wx9 s THR 19 CO -0.16 0.23 -0.02 -0.13 -0.69 0.00 0.00 174.62 173.85 1wx9 s ARG 20 N 0.17 1.03 0.14 4.92 0.52 -0.78 -4.91 118.95 120.04 1wx9 s ARG 20 Ca 0.52 -0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 55.22 1wx9 s ARG 20 Cb -0.28 -1.54 -0.06 0.00 0.52 0.00 0.00 34.95 33.59 1wx9 s ARG 20 CO 0.32 -0.38 1.01 0.99 0.02 0.00 0.00 175.30 177.26 1wx9 s THR 21 N 1.81 4.29 -0.00 0.02 2.01 -1.26 -2.28 115.64 120.23 1wx9 s THR 21 Ca 0.03 1.93 0.03 0.00 0.31 0.00 0.00 61.69 63.99 1wx9 s THR 21 Cb -0.14 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 1wx9 s THR 21 CO -0.07 0.31 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.71 1wx9 s PHE 22 N -0.11 0.91 -0.36 4.92 0.08 0.44 -4.94 117.98 118.92 1wx9 s PHE 22 Ca 0.48 -0.19 -0.02 0.00 0.12 0.00 0.00 56.93 57.32 1wx9 s PHE 22 Cb -0.25 -0.58 0.08 0.00 -0.57 0.00 0.00 43.02 41.70 1wx9 s PHE 22 CO 0.31 -0.01 0.11 0.42 -0.10 0.00 0.00 175.22 175.95 1wx9 s ILE 23 N -0.30 3.11 0.25 0.64 -1.09 -1.26 0.19 121.20 122.74 1wx9 s ILE 23 Ca 0.03 -1.77 0.07 0.00 -2.23 0.00 0.00 60.65 56.75 1wx9 s ILE 23 Cb -0.04 -3.00 -0.05 0.00 -1.58 0.00 0.00 42.46 37.79 1wx9 s ILE 23 CO -0.00 -0.43 -0.08 0.68 -1.23 0.00 0.00 174.94 173.88 1wx9 s VAL 24 N 1.18 1.61 -0.04 2.92 -7.23 0.05 -4.91 120.40 113.98 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 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 1wx9 s VAL 24 CO -0.03 -0.40 1.56 -0.83 -0.31 0.00 0.00 175.10 175.09 1wx9 s GLY 25 N -3.39 1.61 0.32 2.32 0.00 -1.26 -0.73 107.32 106.19 1wx9 s GLY 25 Ca 0.27 0.91 0.07 0.00 0.00 0.00 0.00 44.72 45.97 1wx9 s GLY 25 CO 0.10 2.86 1.61 0.00 0.00 0.00 0.00 173.10 177.66 1wx9 h ALA 26 N 8.89 1.47 -0.83 3.20 0.00 -1.92 1.48 119.26 131.54 1wx9 h ALA 26 Ca -0.38 0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.94 1wx9 h ALA 26 Cb 1.17 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 19.28 1wx9 h ALA 26 CO 0.94 -0.61 0.44 1.96 0.00 0.00 0.00 179.25 181.97 1wx9 h GLN 27 N 0.10 0.63 -5.06 0.00 4.20 -2.01 -3.35 115.11 109.62 1wx9 h GLN 27 Ca 0.64 -0.04 -0.49 0.00 0.06 0.00 0.00 58.65 58.82 1wx9 h GLN 27 Cb 1.43 -0.14 0.17 0.00 0.30 0.00 0.00 27.48 29.23 1wx9 h GLN 27 CO -0.77 0.42 -1.18 -0.12 -0.67 0.00 0.00 178.83 176.50 1wx9 n MET 28 N -4.85 0.00 -4.13 1.46 1.56 0.51 -4.88 117.12 106.79 1wx9 n MET 28 Ca 0.16 0.00 -0.22 0.00 -0.27 0.00 0.00 57.70 57.37 1wx9 n MET 28 Cb 0.39 -0.84 -0.05 0.00 2.15 0.00 0.00 33.22 34.87 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 -0.84 5.36 0.18 6.12 4.22 -1.26 -3.85 114.94 124.86 1wx9 s ASN 29 Ca 0.43 -0.32 -0.20 0.00 -2.14 0.00 0.00 52.86 50.63 1wx9 s ASN 29 Cb -0.33 -1.30 0.11 0.00 1.28 0.00 0.00 41.25 41.01 1wx9 s ASN 29 CO 0.61 -0.05 1.61 0.58 -2.04 0.00 0.00 177.10 177.81 1wx9 h VAL 30 N 1.54 0.30 -0.06 3.54 2.07 0.25 0.34 116.25 124.23 1wx9 h VAL 30 Ca -0.48 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1wx9 h VAL 30 Cb 1.24 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1wx9 h VAL 30 CO 0.61 0.00 -0.48 0.50 0.02 0.00 0.00 177.57 178.21 1wx9 h LYS 31 N -0.17 -0.54 -0.46 1.57 3.64 -1.07 0.27 116.57 119.81 1wx9 h LYS 31 Ca 0.21 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.71 1wx9 h LYS 31 Cb 0.50 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.34 1wx9 h LYS 31 CO -0.55 -0.36 -0.27 0.93 -2.27 0.00 0.00 179.45 176.93 1wx9 h GLU 32 N -0.56 -0.17 -0.75 1.90 5.08 -1.54 0.85 114.58 119.39 1wx9 h GLU 32 Ca 0.02 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 1wx9 h GLU 32 Cb 0.63 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.82 1wx9 h GLU 32 CO -0.35 -0.11 0.28 0.35 -1.00 0.00 0.00 179.01 178.18 1wx9 h PHE 33 N -0.17 0.48 0.08 4.33 3.57 0.56 0.70 116.94 126.49 1wx9 h PHE 33 Ca 0.21 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1wx9 h PHE 33 Cb 0.50 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1wx9 h PHE 33 CO -0.52 0.04 -0.27 0.87 -2.23 0.00 0.00 178.31 176.20 1wx9 h LYS 34 N 0.41 -0.44 -0.89 1.11 1.57 0.19 0.30 116.57 118.82 1wx9 h LYS 34 Ca 0.41 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.33 1wx9 h LYS 34 Cb 0.64 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.99 1wx9 h LYS 34 CO -0.42 -0.29 0.57 0.93 -0.57 0.00 0.00 179.45 179.67 1wx9 h GLU 35 N -0.46 0.84 0.64 3.15 5.08 -0.20 1.53 114.58 125.15 1wx9 h GLU 35 Ca 0.04 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1wx9 h GLU 35 Cb 0.50 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1wx9 h GLU 35 CO -0.18 0.55 -0.36 1.25 -1.00 0.00 0.00 179.01 179.28 1wx9 h HIS 36 N 0.86 -0.93 -0.07 4.33 2.76 0.43 -2.52 115.15 120.00 1wx9 h HIS 36 Ca 0.42 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.48 1wx9 h HIS 36 Cb 0.44 0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 1wx9 h HIS 36 CO -0.00 -0.55 -0.36 -0.84 -1.30 0.00 0.00 177.93 174.88 1wx9 h ILE 37 N -0.92 1.28 -1.74 6.26 3.07 -0.33 -2.65 117.51 122.48 1wx9 h ILE 37 Ca -0.08 -1.34 0.50 0.00 1.55 0.00 0.00 64.86 65.49 1wx9 h ILE 37 Cb 0.73 1.63 -0.07 0.00 -0.27 0.00 0.00 36.82 38.84 1wx9 h ILE 37 CO 0.11 0.40 1.28 0.00 -1.05 0.00 0.00 178.15 178.88 1wx9 h ALA 38 N 1.51 3.65 0.09 0.16 0.00 0.26 1.61 119.26 126.53 1wx9 h ALA 38 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wx9 h ALA 38 Cb 0.70 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1wx9 h ALA 38 CO 0.05 -2.18 -0.04 0.00 0.00 0.00 0.00 179.25 177.08 1wx9 h ALA 39 N 1.07 -0.12 0.30 0.00 0.00 -1.44 0.32 119.26 119.39 1wx9 h ALA 39 Ca 0.82 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 1wx9 h ALA 39 Cb 3.38 0.05 0.00 0.00 0.00 0.00 0.00 17.79 21.22 1wx9 h ALA 39 CO -0.01 -0.33 -0.15 0.77 0.00 0.00 0.00 179.25 179.54 1wx9 h SER 40 N -0.60 -0.34 -0.74 0.00 0.02 0.18 -3.20 113.55 108.86 1wx9 h SER 40 Ca -0.01 0.01 0.19 0.00 -0.84 0.00 0.00 61.79 61.13 1wx9 h SER 40 Cb 0.49 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 1wx9 h SER 40 CO 0.02 -0.07 0.52 -0.37 -1.14 0.00 0.00 176.83 175.79 1wx9 h VAL 41 N -0.76 0.70 -0.27 2.27 -1.51 0.06 -3.45 116.25 113.29 1wx9 h VAL 41 Ca -0.04 -0.06 -0.11 0.00 -1.23 0.00 0.00 66.70 65.25 1wx9 h VAL 41 Cb 0.31 0.49 -0.05 0.00 -2.13 0.00 0.00 31.29 29.92 1wx9 h VAL 41 CO 0.07 0.03 -0.10 -0.24 -1.23 0.00 0.00 177.57 176.10 1wx9 n SER 42 N -4.41 -3.67 -4.39 4.19 2.88 0.11 -5.01 113.62 103.33 1wx9 n SER 42 Ca 0.15 0.14 -0.32 0.00 -1.33 0.00 0.00 58.87 57.51 1wx9 n SER 42 Cb 0.68 -1.67 -0.15 0.00 -0.75 0.00 0.00 64.21 62.33 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 -2.21 2.51 0.38 2.46 1.01 -0.99 -4.98 121.20 119.39 1wx9 s ILE 43 Ca 0.00 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.47 1wx9 s ILE 43 Cb 0.00 -1.93 -0.09 0.00 0.01 0.00 0.00 42.46 40.45 1wx9 s ILE 43 CO 0.00 0.59 1.06 -2.16 0.00 0.00 0.00 174.94 174.43 1wx9 s PRO 44 N -0.66 4.24 0.17 2.79 0.04 -1.26 -4.05 135.00 136.27 1wx9 s PRO 44 Ca 0.11 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.55 1wx9 s PRO 44 Cb -0.10 -2.66 0.12 0.00 0.04 0.00 0.00 34.50 31.89 1wx9 s PRO 44 CO -0.00 -0.09 1.65 0.66 0.04 0.00 0.00 177.00 179.27 1wx9 h SER 45 N 2.74 -0.47 -0.05 6.66 4.64 -1.89 0.87 113.55 126.04 1wx9 h SER 45 Ca -0.48 0.14 0.01 0.00 -0.47 0.00 0.00 61.79 60.99 1wx9 h SER 45 Cb 1.22 0.30 -0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1wx9 h SER 45 CO 0.63 -0.17 0.39 1.05 -0.87 0.00 0.00 176.83 177.86 1wx9 h GLU 46 N -0.03 0.00 0.00 4.77 4.11 -1.98 0.79 114.58 122.24 1wx9 h GLU 46 Ca 0.21 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.36 1wx9 h GLU 46 Cb 0.35 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1wx9 h GLU 46 CO -0.46 0.00 -2.19 1.63 0.07 0.00 0.00 179.01 178.05 1wx9 n LYS 47 N -2.95 0.67 -1.96 1.06 5.02 0.25 -4.96 118.16 115.28 1wx9 n LYS 47 Ca -0.01 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.97 1wx9 n LYS 47 Cb 0.45 -1.56 0.03 0.00 -0.02 0.00 0.00 35.03 33.93 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 -2.73 3.15 -0.46 1.97 -0.21 0.28 -2.44 119.66 119.22 1wx9 s GLN 48 Ca -0.09 0.51 0.03 0.00 0.02 0.00 0.00 55.36 55.82 1wx9 s GLN 48 Cb 0.08 -2.08 0.21 0.00 1.00 0.00 0.00 33.01 32.21 1wx9 s GLN 48 CO 0.84 -0.80 0.87 -2.13 -2.12 0.00 0.00 175.29 171.95 1wx9 n ARG 49 N -2.84 0.42 -1.62 2.91 0.63 -1.20 -4.87 116.66 110.09 1wx9 n ARG 49 Ca 0.06 -1.60 -0.47 0.00 -0.92 0.00 0.00 57.85 54.92 1wx9 n ARG 49 Cb 0.56 -0.97 -0.03 0.00 0.45 0.00 0.00 32.46 32.47 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 2.65 2.26 -3.78 6.15 4.77 -1.26 -3.91 117.00 123.88 1wx9 n LEU 50 Ca 0.15 1.14 -0.18 0.00 -0.03 0.00 0.00 56.01 57.08 1wx9 n LEU 50 Cb 0.60 -1.31 -0.17 0.00 -2.33 0.00 0.00 43.42 40.21 1wx9 n LEU 50 CO -0.04 -0.92 -0.37 -0.63 -1.33 0.00 0.00 177.39 174.10 1wx9 s ILE 51 N -0.11 0.15 -0.21 -0.08 1.01 -0.61 -1.15 121.20 120.20 1wx9 s ILE 51 Ca 0.71 0.16 -0.05 0.00 0.00 0.00 0.00 60.65 61.47 1wx9 s ILE 51 Cb -0.76 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 1wx9 s ILE 51 CO 0.51 0.17 -0.02 -0.47 0.00 0.00 0.00 174.94 175.13 1wx9 s TYR 52 N 1.39 3.00 0.00 3.97 6.14 -0.58 -0.64 117.35 130.63 1wx9 s TYR 52 Ca -0.05 -0.66 0.00 0.00 0.64 0.00 0.00 57.07 57.01 1wx9 s TYR 52 Cb -0.13 -2.10 0.00 0.00 0.42 0.00 0.00 41.96 40.15 1wx9 s TYR 52 CO -0.03 -0.38 0.00 1.04 0.64 0.00 0.00 175.55 176.83 1wx9 n GLN 53 N 4.50 0.00 -0.97 4.97 1.13 -1.26 -1.34 117.38 124.41 1wx9 n GLN 53 Ca -0.17 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.86 1wx9 n GLN 53 Cb 0.51 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.85 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 -0.04 2.94 1.08 0.00 -1.26 -5.12 105.19 102.78 1wx9 n GLY 54 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 0.01 0.79 -0.27 1.61 0.52 -0.45 -5.11 118.95 116.06 1wx9 s ARG 55 Ca 0.01 -0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 54.74 1wx9 s ARG 55 Cb 0.04 -0.77 -0.00 0.00 0.52 0.00 0.00 34.95 34.73 1wx9 s ARG 55 CO -0.01 0.02 1.29 0.54 0.02 0.00 0.00 175.30 177.16 1wx9 s VAL 56 N 0.49 4.18 -0.02 3.52 0.11 -1.26 -1.52 120.40 125.88 1wx9 s VAL 56 Ca -0.07 1.35 -0.30 0.00 -2.93 0.00 0.00 61.98 60.03 1wx9 s VAL 56 Cb -0.10 -4.12 -0.06 0.00 -1.53 0.00 0.00 36.38 30.56 1wx9 s VAL 56 CO 0.00 -0.40 1.60 -0.76 -3.33 0.00 0.00 175.10 172.21 1wx9 s LEU 57 N 4.18 4.32 0.14 2.54 1.43 -0.30 -4.92 118.68 126.08 1wx9 s LEU 57 Ca 0.56 2.24 -0.31 0.00 -1.03 0.00 0.00 54.13 55.59 1wx9 s LEU 57 Cb -0.18 -3.54 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 1wx9 s LEU 57 CO 0.21 -0.88 1.84 0.00 0.23 0.00 0.00 176.35 177.75 1wx9 n GLN 58 N 6.50 2.84 0.22 1.70 3.00 -1.26 -4.72 117.38 125.66 1wx9 n GLN 58 Ca 0.16 1.03 0.18 0.00 -0.01 0.00 0.00 57.00 58.36 1wx9 n GLN 58 Cb 0.43 -2.93 0.85 0.00 0.00 0.00 0.00 30.24 28.59 1wx9 n GLN 58 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 1wx9 h ASP 59 N 8.42 0.00 0.66 1.08 3.04 -1.94 0.41 116.42 128.10 1wx9 h ASP 59 Ca -0.46 0.00 -0.27 0.00 -3.24 0.00 0.00 57.03 53.06 1wx9 h ASP 59 Cb 1.22 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.49 1wx9 h ASP 59 CO 0.95 0.00 -1.34 -0.78 -2.04 0.00 0.00 179.24 176.03 1wx9 h ASP 60 N 0.00 0.21 -3.66 4.15 3.58 -1.96 0.63 116.42 119.37 1wx9 h ASP 60 Ca 0.08 -0.27 -0.46 0.00 0.42 0.00 0.00 57.03 56.80 1wx9 h ASP 60 Cb 0.52 -0.07 0.19 0.00 1.72 0.00 0.00 39.33 41.70 1wx9 h ASP 60 CO -0.00 1.22 0.11 -0.54 -2.88 0.00 0.00 179.24 177.15 1wx9 s LYS 61 N -2.65 -0.06 0.19 0.28 -0.14 0.14 -4.61 119.74 112.89 1wx9 s LYS 61 Ca -0.04 0.96 0.09 0.00 -1.36 0.00 0.00 55.97 55.62 1wx9 s LYS 61 Cb 0.08 -1.64 -0.04 0.00 -1.68 0.00 0.00 37.83 34.54 1wx9 s LYS 61 CO 0.84 -3.18 -0.09 0.15 -0.76 0.00 0.00 175.35 172.31 1wx9 s LYS 62 N -4.62 2.07 0.07 1.68 1.02 -1.26 0.75 119.74 119.45 1wx9 s LYS 62 Ca 0.67 -1.29 -0.37 0.00 0.02 0.00 0.00 55.97 55.00 1wx9 s LYS 62 Cb -0.23 -2.15 -0.19 0.00 -0.52 0.00 0.00 37.83 34.74 1wx9 s LYS 62 CO 0.61 0.43 1.56 -0.07 -0.92 0.00 0.00 175.35 176.96 1wx9 h LEU 63 N 2.81 -1.28 -0.98 3.17 -0.00 -1.78 -2.11 115.31 115.14 1wx9 h LEU 63 Ca -0.46 0.07 0.33 0.00 -0.00 0.00 0.00 57.88 57.83 1wx9 h LEU 63 Cb 1.21 0.38 -0.16 0.00 -0.00 0.00 0.00 40.66 42.08 1wx9 h LEU 63 CO 0.55 -0.76 0.44 -0.61 -0.00 0.00 0.00 178.44 178.06 1wx9 h GLN 64 N -1.20 0.15 -0.15 1.13 4.15 -1.85 0.49 115.11 117.83 1wx9 h GLN 64 Ca -0.10 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.36 1wx9 h GLN 64 Cb 0.97 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.56 1wx9 h GLN 64 CO 0.09 0.10 -0.26 0.93 -1.93 0.00 0.00 178.83 177.76 1wx9 h GLU 65 N 0.16 -0.31 0.00 1.69 4.39 -1.70 0.32 114.58 119.13 1wx9 h GLU 65 Ca 0.73 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.45 1wx9 h GLU 65 Cb 1.72 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.44 1wx9 h GLU 65 CO -0.71 -0.21 0.00 0.66 -1.16 0.00 0.00 179.01 177.59 1wx9 n TYR 66 N -5.38 0.00 -3.51 4.33 4.01 0.15 -4.88 117.16 111.88 1wx9 n TYR 66 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1wx9 n TYR 66 Cb 0.30 -0.35 0.08 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.35 -2.21 -1.38 7.72 4.13 0.11 -4.86 115.26 117.42 1wx9 n ASN 67 Ca 0.08 -0.66 0.03 0.00 1.68 0.00 0.00 54.58 55.70 1wx9 n ASN 67 Cb 0.17 -4.86 0.23 0.00 -1.54 0.00 0.00 39.78 33.79 1wx9 n ASN 67 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1wx9 n VAL 68 N -4.24 1.73 -1.87 2.41 0.24 -1.18 -4.80 118.33 110.62 1wx9 n VAL 68 Ca -0.26 -0.87 -0.43 0.00 -2.04 0.00 0.00 64.34 60.74 1wx9 n VAL 68 Cb 0.66 -0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 32.61 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 -0.46 0.94 0.00 7.63 0.00 -1.25 -1.44 107.32 112.74 1wx9 s GLY 69 Ca 0.33 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1wx9 s GLY 69 CO 0.09 3.37 0.00 0.61 0.00 0.00 0.00 173.10 177.17 1wx9 n GLY 70 N 5.15 0.43 3.93 0.20 0.00 0.04 -4.94 105.19 110.00 1wx9 n GLY 70 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.64 2.32 -0.28 1.61 -0.14 -0.52 -4.87 119.74 117.22 1wx9 s LYS 71 Ca 0.00 -0.26 -0.06 0.00 -1.36 0.00 0.00 55.97 54.29 1wx9 s LYS 71 Cb 0.00 -2.21 0.01 0.00 -1.68 0.00 0.00 37.83 33.95 1wx9 s LYS 71 CO 0.00 -1.12 0.05 0.08 -0.76 0.00 0.00 175.35 173.59 1wx9 s VAL 72 N -3.17 3.77 0.57 3.17 1.01 -1.26 -2.58 120.40 121.91 1wx9 s VAL 72 Ca 0.59 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1wx9 s VAL 72 Cb -0.11 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 33.43 1wx9 s VAL 72 CO 0.44 0.15 0.79 -0.63 0.00 0.00 0.00 175.10 175.85 1wx9 s ILE 73 N 1.48 2.52 -0.43 2.22 1.01 -1.20 -4.84 121.20 121.96 1wx9 s ILE 73 Ca 0.03 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1wx9 s ILE 73 Cb -0.17 -2.77 0.12 0.00 0.01 0.00 0.00 42.46 39.66 1wx9 s ILE 73 CO 0.01 0.00 0.20 -1.00 0.00 0.00 0.00 174.94 174.15 1wx9 s HIS 74 N -2.76 2.51 0.36 3.97 3.76 0.19 -1.76 115.29 121.56 1wx9 s HIS 74 Ca 0.60 -2.63 -0.22 0.00 -0.15 0.00 0.00 55.06 52.66 1wx9 s HIS 74 Cb -0.08 -2.26 -0.10 0.00 1.11 0.00 0.00 32.58 31.24 1wx9 s HIS 74 CO 0.39 -0.80 0.90 -1.17 -0.85 0.00 0.00 174.74 173.20 1wx9 s LEU 75 N 0.39 4.11 0.04 0.89 2.96 -1.25 -1.58 118.68 124.24 1wx9 s LEU 75 Ca 0.16 1.65 0.06 0.00 -0.22 0.00 0.00 54.13 55.78 1wx9 s LEU 75 Cb -0.23 -4.23 -0.02 0.00 0.50 0.00 0.00 46.19 42.20 1wx9 s LEU 75 CO -0.04 -0.22 -0.16 0.68 -1.32 0.00 0.00 176.35 175.30 1wx9 s VAL 76 N -1.92 1.28 -0.22 1.68 -7.23 -1.25 -4.51 120.40 108.21 1wx9 s VAL 76 Ca 0.56 -1.02 -0.03 0.00 -1.81 0.00 0.00 61.98 59.68 1wx9 s VAL 76 Cb -0.13 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.68 1wx9 s VAL 76 CO 0.18 0.09 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.29 1wx9 s GLU 77 N -1.07 3.24 0.26 4.82 2.12 -1.26 -3.23 118.70 123.59 1wx9 s GLU 77 Ca 0.04 -0.71 -0.31 0.00 0.36 0.00 0.00 54.97 54.35 1wx9 s GLU 77 Cb -0.08 -2.95 -0.12 0.00 0.26 0.00 0.00 34.13 31.24 1wx9 s GLU 77 CO 0.01 -0.23 1.56 0.54 -0.54 0.00 0.00 175.26 176.60 1wx9 n ARG 78 N 4.76 2.49 -2.39 4.30 5.12 -1.02 -4.23 116.66 125.70 1wx9 n ARG 78 Ca -0.18 0.89 -0.03 0.00 -1.93 0.00 0.00 57.85 56.60 1wx9 n ARG 78 Cb 0.50 -2.64 -0.02 0.00 -1.16 0.00 0.00 32.46 29.14 1wx9 n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wx9 n ALA 79 N 2.33 -2.81 -0.89 7.54 0.00 -1.26 -4.68 120.51 120.73 1wx9 n ALA 79 Ca 0.11 1.32 -0.21 0.00 0.00 0.00 0.00 53.44 54.65 1wx9 n ALA 79 Cb 0.35 -2.84 -0.06 0.00 0.00 0.00 0.00 19.45 16.89 1wx9 n ALA 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wx9 n PRO 80 N 1.67 2.27 -3.72 0.00 -0.04 -1.26 -4.73 135.00 129.20 1wx9 n PRO 80 Ca -0.19 -1.37 -0.12 0.00 -0.04 0.00 0.00 63.50 61.78 1wx9 n PRO 80 Cb 0.29 -2.31 -0.10 0.00 -0.04 0.00 0.00 33.50 31.33 1wx9 n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wx9 s SER 81 N 2.63 -0.46 0.00 3.54 0.15 -1.26 -5.10 113.70 113.20 1wx9 s SER 81 Ca 0.51 0.85 0.00 0.00 0.70 0.00 0.00 55.95 58.02 1wx9 s SER 81 Cb 0.18 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 1wx9 s SER 81 CO -0.03 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1wx9 n GLY 82 N 3.36 1.85 3.78 9.45 0.00 -1.26 -5.10 105.19 117.27 1wx9 n GLY 82 Ca -0.17 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 4.20 -0.22 1.61 0.04 -1.26 -5.04 135.00 134.33 1wx9 s PRO 83 Ca 0.00 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.56 1wx9 s PRO 83 Cb 0.00 -2.60 0.01 0.00 0.04 0.00 0.00 34.50 31.95 1wx9 s PRO 83 CO 0.00 -0.12 -0.09 -1.12 0.04 0.00 0.00 177.00 175.71 1wx9 s SER 84 N -1.50 4.00 -0.24 6.66 0.01 -1.26 -5.09 113.70 116.29 1wx9 s SER 84 Ca 0.57 -0.57 -0.08 0.00 1.31 0.00 0.00 55.95 57.18 1wx9 s SER 84 Cb -0.23 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 1wx9 s SER 84 CO 0.29 -0.04 0.10 -0.94 0.41 0.00 0.00 173.24 173.06 1wx9 s SER 85 N 1.40 5.52 0.00 2.44 1.04 -1.26 -5.30 113.70 117.54 1wx9 s SER 85 Ca 0.04 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1wx9 s SER 85 Cb -0.14 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1wx9 s SER 85 CO -0.06 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.79