#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 -0.31 -1.93 1.61 2.88 -1.26 -5.06 113.62 109.55 1wx9 n SER 2 Ca 0.00 -2.43 0.00 0.00 -1.33 0.00 0.00 58.87 55.11 1wx9 n SER 2 Cb 0.00 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1wx9 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wx9 n SER 3 N 2.66 -8.86 -3.14 -3.46 2.88 -1.26 -4.79 113.62 97.64 1wx9 n SER 3 Ca 0.29 1.31 -0.00 0.00 -1.33 0.00 0.00 58.87 59.14 1wx9 n SER 3 Cb 0.48 -4.88 -0.00 0.00 -0.75 0.00 0.00 64.21 59.06 1wx9 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wx9 n GLY 4 N 1.36 -0.17 3.15 0.46 0.00 -1.26 -5.01 105.19 103.72 1wx9 n GLY 4 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1wx9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wx9 s SER 5 N -0.77 -0.68 1.03 1.61 0.15 -1.26 -5.13 113.70 108.65 1wx9 s SER 5 Ca -0.00 0.41 -0.21 0.00 0.70 0.00 0.00 55.95 56.86 1wx9 s SER 5 Cb 0.00 1.57 -0.06 0.00 -1.71 0.00 0.00 66.02 65.82 1wx9 s SER 5 CO 0.03 -0.13 -0.62 -1.20 1.20 0.00 0.00 173.24 172.52 1wx9 n SER 6 N 5.45 -3.23 0.00 5.45 7.64 -1.26 -4.73 113.62 122.94 1wx9 n SER 6 Ca -0.05 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1wx9 n SER 6 Cb 0.53 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1wx9 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wx9 n GLY 7 N 2.72 2.72 3.74 0.23 0.00 -1.26 -4.89 105.19 108.45 1wx9 n GLY 7 Ca 0.00 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 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 4.26 0.14 0.99 0.20 -0.52 -4.94 118.68 118.81 1wx9 s LEU 8 Ca 0.00 0.51 -0.08 0.00 0.69 0.00 0.00 54.13 55.25 1wx9 s LEU 8 Cb 0.00 -2.35 -0.06 0.00 -0.43 0.00 0.00 46.19 43.35 1wx9 s LEU 8 CO 0.00 0.14 0.43 -0.70 -0.29 0.00 0.00 176.35 175.93 1wx9 s GLU 9 N 0.28 3.72 -0.10 1.98 2.12 -1.26 -0.35 118.70 125.09 1wx9 s GLU 9 Ca 0.16 0.11 -0.05 0.00 0.36 0.00 0.00 54.97 55.55 1wx9 s GLU 9 Cb -0.13 -2.85 0.05 0.00 0.26 0.00 0.00 34.13 31.45 1wx9 s GLU 9 CO 0.04 0.46 0.24 0.08 -0.54 0.00 0.00 175.26 175.54 1wx9 s VAL 10 N -1.60 -0.04 0.41 3.70 1.01 0.49 -0.45 120.40 123.91 1wx9 s VAL 10 Ca 0.40 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.60 1wx9 s VAL 10 Cb -0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 1wx9 s VAL 10 CO 0.21 0.06 0.43 -0.76 0.00 0.00 0.00 175.10 175.05 1wx9 s LEU 11 N 1.22 3.53 -0.24 3.92 1.02 -0.97 0.15 118.68 127.31 1wx9 s LEU 11 Ca -0.09 -0.59 -0.07 0.00 0.02 0.00 0.00 54.13 53.40 1wx9 s LEU 11 Cb -0.10 -2.30 0.11 0.00 0.02 0.00 0.00 46.19 43.93 1wx9 s LEU 11 CO -0.08 -0.65 0.49 -0.69 0.02 0.00 0.00 176.35 175.45 1wx9 s VAL 12 N -2.40 -0.77 -0.01 -1.59 1.01 -1.01 -3.16 120.40 112.46 1wx9 s VAL 12 Ca 0.49 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.56 1wx9 s VAL 12 Cb -0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1wx9 s VAL 12 CO 0.29 0.03 0.04 -0.75 0.00 0.00 0.00 175.10 174.71 1wx9 s LYS 13 N 2.71 2.96 0.25 2.72 2.20 -0.60 -2.38 119.74 127.60 1wx9 s LYS 13 Ca 0.00 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1wx9 s LYS 13 Cb -0.13 -2.79 -0.01 0.00 -1.51 0.00 0.00 37.83 33.40 1wx9 s LYS 13 CO -0.15 0.65 0.06 0.25 -0.36 0.00 0.00 175.35 175.79 1wx9 n THR 14 N 1.39 0.00 -0.02 3.43 -2.24 -1.26 -2.58 114.28 112.99 1wx9 n THR 14 Ca -0.14 -1.36 -0.09 0.00 -2.27 0.00 0.00 64.05 60.18 1wx9 n THR 14 Cb 0.53 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 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 -0.24 -2.04 3.22 -0.00 -2.00 0.11 115.31 114.36 1wx9 h LEU 15 Ca -0.20 0.06 0.09 0.00 -0.00 0.00 0.00 57.88 57.83 1wx9 h LEU 15 Cb 0.71 0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.49 1wx9 h LEU 15 CO 0.32 -0.09 0.25 0.44 -0.00 0.00 0.00 178.44 179.35 1wx9 h ASP 16 N -0.05 0.00 -3.47 -0.43 5.19 -2.01 -3.46 116.42 112.19 1wx9 h ASP 16 Ca 0.08 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.45 1wx9 h ASP 16 Cb 0.18 0.00 0.04 0.00 0.18 0.00 0.00 39.33 39.72 1wx9 h ASP 16 CO -0.19 0.00 -0.15 -1.20 -3.12 0.00 0.00 179.24 174.58 1wx9 n SER 17 N -4.31 -2.91 -2.96 6.45 7.64 0.38 -5.01 113.62 112.90 1wx9 n SER 17 Ca 0.05 -0.13 -0.27 0.00 1.01 0.00 0.00 58.87 59.53 1wx9 n SER 17 Cb 0.41 -1.44 -0.04 0.00 -1.01 0.00 0.00 64.21 62.13 1wx9 n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wx9 n GLN 18 N -1.78 3.20 -1.55 1.43 10.64 -1.26 -4.92 117.38 123.15 1wx9 n GLN 18 Ca -0.01 -4.85 -0.60 0.00 -1.83 0.00 0.00 57.00 49.70 1wx9 n GLN 18 Cb 0.52 -2.24 -0.09 0.00 -0.86 0.00 0.00 30.24 27.58 1wx9 n GLN 18 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1wx9 n THR 19 N -0.20 0.00 -4.11 -0.39 -1.04 -1.26 -4.82 114.28 102.46 1wx9 n THR 19 Ca 0.31 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 62.02 1wx9 n THR 19 Cb 0.39 -0.27 -0.16 0.00 -1.82 0.00 0.00 70.33 68.46 1wx9 n THR 19 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1wx9 s ARG 20 N 1.65 2.31 0.15 -2.82 0.52 -1.00 -4.92 118.95 114.83 1wx9 s ARG 20 Ca 0.93 -0.57 -0.29 0.00 -0.52 0.00 0.00 55.73 55.28 1wx9 s ARG 20 Cb -1.32 -2.08 -0.07 0.00 0.52 0.00 0.00 34.95 32.00 1wx9 s ARG 20 CO 0.67 -0.20 0.92 0.99 0.02 0.00 0.00 175.30 177.71 1wx9 s THR 21 N 1.38 4.38 -0.02 0.02 2.01 -1.26 -2.39 115.64 119.76 1wx9 s THR 21 Ca 0.03 2.01 0.03 0.00 0.31 0.00 0.00 61.69 64.07 1wx9 s THR 21 Cb -0.13 -4.29 -0.00 0.00 0.01 0.00 0.00 72.50 68.08 1wx9 s THR 21 CO -0.09 0.39 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.77 1wx9 s PHE 22 N -0.46 1.02 -0.39 4.92 0.08 0.40 -4.94 117.98 118.62 1wx9 s PHE 22 Ca 0.43 -0.22 -0.06 0.00 0.12 0.00 0.00 56.93 57.21 1wx9 s PHE 22 Cb -0.24 -0.68 0.08 0.00 -0.57 0.00 0.00 43.02 41.61 1wx9 s PHE 22 CO 0.30 -0.05 0.18 0.42 -0.10 0.00 0.00 175.22 175.97 1wx9 s ILE 23 N -0.11 3.74 0.21 0.64 -1.09 -1.26 0.18 121.20 123.51 1wx9 s ILE 23 Ca 0.02 -1.53 0.04 0.00 -2.23 0.00 0.00 60.65 56.95 1wx9 s ILE 23 Cb -0.06 -3.31 -0.05 0.00 -1.58 0.00 0.00 42.46 37.46 1wx9 s ILE 23 CO -0.00 -0.45 -0.05 0.68 -1.23 0.00 0.00 174.94 173.89 1wx9 s VAL 24 N 1.32 1.17 0.01 2.92 -7.23 0.52 -4.25 120.40 114.87 1wx9 s VAL 24 Ca 0.02 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 57.83 1wx9 s VAL 24 Cb -0.22 -2.18 -0.06 0.00 0.56 0.00 0.00 36.38 34.47 1wx9 s VAL 24 CO 0.00 -0.47 1.49 -0.83 -0.31 0.00 0.00 175.10 174.98 1wx9 s GLY 25 N -3.28 1.74 0.60 2.32 0.00 -1.26 -1.44 107.32 106.00 1wx9 s GLY 25 Ca 0.25 0.98 0.28 0.00 0.00 0.00 0.00 44.72 46.22 1wx9 s GLY 25 CO 0.06 2.66 1.74 0.00 0.00 0.00 0.00 173.10 177.56 1wx9 h ALA 26 N 8.10 2.36 -0.06 3.20 0.00 -1.93 1.38 119.26 132.31 1wx9 h ALA 26 Ca -0.39 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 1wx9 h ALA 26 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wx9 h ALA 26 CO 0.92 -0.98 -0.83 1.96 0.00 0.00 0.00 179.25 180.32 1wx9 h GLN 27 N 0.00 0.48 -5.67 0.00 4.20 -2.00 -3.30 115.11 108.81 1wx9 h GLN 27 Ca 0.28 -0.43 -0.57 0.00 0.06 0.00 0.00 58.65 57.99 1wx9 h GLN 27 Cb 1.63 0.10 0.17 0.00 0.30 0.00 0.00 27.48 29.69 1wx9 h GLN 27 CO -0.00 1.07 -1.10 -0.12 -0.67 0.00 0.00 178.83 178.01 1wx9 n MET 28 N -3.82 0.00 -4.00 1.46 1.56 0.47 -4.86 117.12 107.93 1wx9 n MET 28 Ca -0.06 0.00 -0.23 0.00 -0.27 0.00 0.00 57.70 57.14 1wx9 n MET 28 Cb 0.77 -0.95 -0.03 0.00 2.15 0.00 0.00 33.22 35.16 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 -0.95 6.10 0.19 6.12 4.22 -1.26 -3.69 114.94 125.68 1wx9 s ASN 29 Ca 0.54 0.02 -0.20 0.00 -2.14 0.00 0.00 52.86 51.08 1wx9 s ASN 29 Cb -0.47 -1.75 0.14 0.00 1.28 0.00 0.00 41.25 40.45 1wx9 s ASN 29 CO 0.63 -0.02 1.59 0.58 -2.04 0.00 0.00 177.10 177.84 1wx9 h VAL 30 N 1.45 0.18 -0.25 3.54 2.07 0.20 0.12 116.25 123.55 1wx9 h VAL 30 Ca -0.50 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1wx9 h VAL 30 Cb 1.22 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1wx9 h VAL 30 CO 0.63 0.00 -0.35 0.50 0.02 0.00 0.00 177.57 178.37 1wx9 h LYS 31 N -0.15 -0.24 -0.55 1.57 1.63 0.16 0.28 116.57 119.27 1wx9 h LYS 31 Ca 0.24 0.02 0.09 0.00 -0.85 0.00 0.00 60.65 60.15 1wx9 h LYS 31 Cb 0.55 0.05 -0.11 0.00 -0.60 0.00 0.00 32.23 32.13 1wx9 h LYS 31 CO -0.69 -0.16 -0.39 0.93 -3.45 0.00 0.00 179.45 175.70 1wx9 h GLU 32 N -0.25 -0.21 -0.90 1.90 5.08 -1.44 0.33 114.58 119.09 1wx9 h GLU 32 Ca 0.04 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.62 1wx9 h GLU 32 Cb 0.37 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.55 1wx9 h GLU 32 CO -0.37 -0.14 0.44 0.35 -1.00 0.00 0.00 179.01 178.29 1wx9 h PHE 33 N -0.21 0.75 -0.37 4.33 3.57 0.40 0.72 116.94 126.11 1wx9 h PHE 33 Ca 0.20 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1wx9 h PHE 33 Cb 0.56 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1wx9 h PHE 33 CO -0.66 0.04 0.22 0.87 -2.23 0.00 0.00 178.31 176.55 1wx9 h LYS 34 N 0.49 0.51 -0.14 1.11 1.57 0.32 0.18 116.57 120.61 1wx9 h LYS 34 Ca 0.55 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.19 1wx9 h LYS 34 Cb 0.98 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1wx9 h LYS 34 CO -0.47 0.39 -0.29 0.93 -0.57 0.00 0.00 179.45 179.43 1wx9 h GLU 35 N 0.48 0.27 0.55 3.15 5.08 0.11 1.34 114.58 125.56 1wx9 h GLU 35 Ca 0.13 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1wx9 h GLU 35 Cb 0.02 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1wx9 h GLU 35 CO -0.02 0.54 -0.26 1.25 -1.00 0.00 0.00 179.01 179.51 1wx9 h HIS 36 N 0.24 -0.68 -0.04 4.33 2.76 0.10 -3.15 115.15 118.71 1wx9 h HIS 36 Ca 0.03 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.08 1wx9 h HIS 36 Cb 0.64 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.82 1wx9 h HIS 36 CO 0.01 -0.36 -0.46 -0.84 -1.30 0.00 0.00 177.93 174.98 1wx9 h ILE 37 N -1.06 1.34 -1.41 6.26 3.07 -0.62 -2.90 117.51 122.17 1wx9 h ILE 37 Ca -0.08 -1.62 0.47 0.00 1.55 0.00 0.00 64.86 65.19 1wx9 h ILE 37 Cb 0.63 1.83 -0.13 0.00 -0.27 0.00 0.00 36.82 38.87 1wx9 h ILE 37 CO 0.12 0.47 0.92 0.00 -1.05 0.00 0.00 178.15 178.61 1wx9 h ALA 38 N 1.46 2.89 0.76 0.16 0.00 0.18 0.78 119.26 125.49 1wx9 h ALA 38 Ca 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1wx9 h ALA 38 Cb 0.85 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1wx9 h ALA 38 CO 0.06 -1.56 -0.37 0.00 0.00 0.00 0.00 179.25 177.39 1wx9 h ALA 39 N 1.56 -1.05 0.62 0.00 0.00 -1.55 1.29 119.26 120.13 1wx9 h ALA 39 Ca 0.87 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.53 1wx9 h ALA 39 Cb 2.84 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 21.03 1wx9 h ALA 39 CO -0.42 -0.97 -0.37 0.77 0.00 0.00 0.00 179.25 178.26 1wx9 h SER 40 N -1.25 -0.92 -0.02 0.00 0.02 0.10 -1.61 113.55 109.87 1wx9 h SER 40 Ca -0.10 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1wx9 h SER 40 Cb 0.79 0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 1wx9 h SER 40 CO 0.17 -0.57 0.06 -0.37 -1.14 0.00 0.00 176.83 174.98 1wx9 h VAL 41 N -0.92 0.12 -1.85 2.27 -1.51 -0.05 -3.45 116.25 110.87 1wx9 h VAL 41 Ca -0.08 0.00 -0.36 0.00 -1.23 0.00 0.00 66.70 65.02 1wx9 h VAL 41 Cb 0.73 0.94 -0.07 0.00 -2.13 0.00 0.00 31.29 30.76 1wx9 h VAL 41 CO 0.10 0.00 -0.41 -0.24 -1.23 0.00 0.00 177.57 175.79 1wx9 n SER 42 N -3.23 -5.20 -4.32 4.19 2.88 0.42 -4.98 113.62 103.38 1wx9 n SER 42 Ca -0.02 0.17 -0.30 0.00 -1.33 0.00 0.00 58.87 57.39 1wx9 n SER 42 Cb 0.14 -4.27 -0.15 0.00 -0.75 0.00 0.00 64.21 59.17 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 -2.80 2.06 0.35 2.46 1.01 0.01 -4.96 121.20 119.33 1wx9 s ILE 43 Ca 0.00 -1.24 -0.26 0.00 0.00 0.00 0.00 60.65 59.14 1wx9 s ILE 43 Cb 0.00 -1.74 -0.09 0.00 0.01 0.00 0.00 42.46 40.64 1wx9 s ILE 43 CO 0.00 0.45 1.06 -2.16 0.00 0.00 0.00 174.94 174.29 1wx9 s PRO 44 N -0.95 4.35 0.21 2.79 0.04 -1.26 -4.04 135.00 136.14 1wx9 s PRO 44 Ca 0.11 1.62 -0.09 0.00 0.04 0.00 0.00 61.00 62.68 1wx9 s PRO 44 Cb -0.10 -2.79 0.31 0.00 0.04 0.00 0.00 34.50 31.96 1wx9 s PRO 44 CO 0.01 -0.00 1.74 0.66 0.04 0.00 0.00 177.00 179.44 1wx9 h SER 45 N 3.00 0.20 0.00 6.66 4.64 -1.91 0.78 113.55 126.91 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 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1wx9 h SER 45 CO 0.64 0.11 0.09 1.05 -0.87 0.00 0.00 176.83 177.84 1wx9 h GLU 46 N 0.39 0.00 0.00 4.77 4.11 -1.97 0.40 114.58 122.28 1wx9 h GLU 46 Ca 0.33 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.74 1wx9 h GLU 46 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1wx9 h GLU 46 CO -0.34 0.00 -1.88 1.63 0.07 0.00 0.00 179.01 178.49 1wx9 n LYS 47 N -2.60 0.60 -2.23 1.06 5.02 0.22 -4.97 118.16 115.26 1wx9 n LYS 47 Ca -0.02 -0.16 -0.32 0.00 -2.02 0.00 0.00 58.31 55.79 1wx9 n LYS 47 Cb 0.13 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 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 -3.26 3.80 -0.45 1.97 -0.21 0.15 -3.37 119.66 118.27 1wx9 s GLN 48 Ca -0.07 0.93 0.06 0.00 0.02 0.00 0.00 55.36 56.30 1wx9 s GLN 48 Cb 0.12 -2.11 0.18 0.00 1.00 0.00 0.00 33.01 32.19 1wx9 s GLN 48 CO 0.78 -0.40 0.60 0.50 -2.12 0.00 0.00 175.29 174.64 1wx9 s ARG 49 N -4.34 0.91 0.24 2.91 3.52 -0.98 -4.91 118.95 116.29 1wx9 s ARG 49 Ca 0.58 -0.93 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 1wx9 s ARG 49 Cb -0.11 -0.28 -0.10 0.00 -1.56 0.00 0.00 34.95 32.90 1wx9 s ARG 49 CO 0.37 -1.28 1.37 -0.51 -0.81 0.00 0.00 175.30 174.44 1wx9 s LEU 50 N 1.14 4.41 -0.04 -0.88 1.43 -1.26 -2.95 118.68 120.53 1wx9 s LEU 50 Ca 0.24 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 1wx9 s LEU 50 Cb -0.03 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.59 1wx9 s LEU 50 CO -0.07 -0.60 -0.00 -0.63 0.23 0.00 0.00 176.35 175.27 1wx9 s ILE 51 N -0.09 0.24 -0.12 -0.59 1.01 0.40 0.33 121.20 122.37 1wx9 s ILE 51 Ca 0.57 0.07 0.01 0.00 0.00 0.00 0.00 60.65 61.29 1wx9 s ILE 51 Cb -0.39 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 41.76 1wx9 s ILE 51 CO 0.42 0.17 -0.13 -0.47 0.00 0.00 0.00 174.94 174.93 1wx9 s TYR 52 N 1.12 1.90 0.00 3.97 6.14 -0.32 -0.64 117.35 129.52 1wx9 s TYR 52 Ca -0.08 -0.98 0.00 0.00 0.64 0.00 0.00 57.07 56.65 1wx9 s TYR 52 Cb -0.13 -1.43 0.00 0.00 0.42 0.00 0.00 41.96 40.82 1wx9 s TYR 52 CO -0.02 -0.56 0.00 0.94 0.64 0.00 0.00 175.55 176.56 1wx9 n GLN 53 N 4.61 0.00 0.00 4.97 0.00 -1.26 -2.97 117.38 122.73 1wx9 n GLN 53 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.83 1wx9 n GLN 53 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.74 1wx9 n GLN 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wx9 n GLY 54 N 0.00 0.23 3.87 1.69 0.00 -1.26 -5.15 105.19 104.57 1wx9 n GLY 54 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1wx9 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wx9 s ARG 55 N 0.00 3.84 0.50 1.61 3.52 -1.16 -5.03 118.95 122.23 1wx9 s ARG 55 Ca 0.00 0.38 -0.12 0.00 -0.13 0.00 0.00 55.73 55.86 1wx9 s ARG 55 Cb 0.00 -2.56 -0.06 0.00 -1.56 0.00 0.00 34.95 30.77 1wx9 s ARG 55 CO 0.00 0.23 0.91 0.54 -0.81 0.00 0.00 175.30 176.17 1wx9 s VAL 56 N -1.94 4.69 -0.24 7.11 0.11 -1.26 -1.18 120.40 127.69 1wx9 s VAL 56 Ca 0.49 0.86 -0.12 0.00 -2.93 0.00 0.00 61.98 60.29 1wx9 s VAL 56 Cb -0.11 -3.77 -0.05 0.00 -1.53 0.00 0.00 36.38 30.92 1wx9 s VAL 56 CO 0.22 -0.76 0.22 -0.76 -3.33 0.00 0.00 175.10 170.69 1wx9 s LEU 57 N -4.32 4.11 -0.01 2.54 1.43 0.15 -4.88 118.68 117.70 1wx9 s LEU 57 Ca 0.55 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.53 1wx9 s LEU 57 Cb -0.10 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.86 1wx9 s LEU 57 CO 0.38 0.02 1.56 -1.10 0.23 0.00 0.00 176.35 177.43 1wx9 s GLN 58 N 1.20 4.22 0.64 1.70 1.11 -1.26 -4.64 119.66 122.62 1wx9 s GLN 58 Ca 0.10 2.13 0.28 0.00 0.01 0.00 0.00 55.36 57.88 1wx9 s GLN 58 Cb -0.14 -3.75 1.51 0.00 -1.01 0.00 0.00 33.01 29.62 1wx9 s GLN 58 CO 0.06 -0.73 1.88 0.38 0.01 0.00 0.00 175.29 176.89 1wx9 h ASP 59 N 8.64 0.00 0.55 5.90 3.04 -1.96 1.03 116.42 133.62 1wx9 h ASP 59 Ca -0.39 0.00 -0.29 0.00 -3.24 0.00 0.00 57.03 53.11 1wx9 h ASP 59 Cb 1.18 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.46 1wx9 h ASP 59 CO 0.93 0.00 -1.40 -0.78 -2.04 0.00 0.00 179.24 175.95 1wx9 h ASP 60 N 0.00 0.36 -3.52 4.15 3.58 -1.94 1.33 116.42 120.39 1wx9 h ASP 60 Ca 0.08 -0.45 -0.44 0.00 0.42 0.00 0.00 57.03 56.64 1wx9 h ASP 60 Cb 0.90 -0.12 0.19 0.00 1.72 0.00 0.00 39.33 42.02 1wx9 h ASP 60 CO -0.00 1.37 0.09 -0.54 -2.88 0.00 0.00 179.24 177.28 1wx9 s LYS 61 N -2.64 -0.57 0.21 0.28 -0.14 0.35 -4.57 119.74 112.67 1wx9 s LYS 61 Ca -0.06 0.54 0.10 0.00 -1.36 0.00 0.00 55.97 55.18 1wx9 s LYS 61 Cb 0.07 -1.62 -0.04 0.00 -1.68 0.00 0.00 37.83 34.56 1wx9 s LYS 61 CO 0.86 -3.41 -0.10 0.15 -0.76 0.00 0.00 175.35 172.09 1wx9 s LYS 62 N -4.80 2.03 0.04 1.68 1.02 -1.26 0.19 119.74 118.64 1wx9 s LYS 62 Ca 0.67 -1.38 -0.33 0.00 0.02 0.00 0.00 55.97 54.95 1wx9 s LYS 62 Cb -0.20 -2.09 -0.18 0.00 -0.52 0.00 0.00 37.83 34.83 1wx9 s LYS 62 CO 0.60 0.40 1.40 -0.07 -0.92 0.00 0.00 175.35 176.77 1wx9 h LEU 63 N 2.62 -0.96 -0.90 3.17 -0.00 -1.81 -2.90 115.31 114.53 1wx9 h LEU 63 Ca -0.45 0.03 0.25 0.00 -0.00 0.00 0.00 57.88 57.70 1wx9 h LEU 63 Cb 1.22 0.25 -0.15 0.00 -0.00 0.00 0.00 40.66 41.98 1wx9 h LEU 63 CO 0.56 -0.62 0.17 -0.61 -0.00 0.00 0.00 178.44 177.94 1wx9 h GLN 64 N -1.25 0.13 -1.11 1.13 4.15 -1.83 1.44 115.11 117.77 1wx9 h GLN 64 Ca -0.12 -0.01 0.32 0.00 0.77 0.00 0.00 58.65 59.62 1wx9 h GLN 64 Cb 0.88 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 1wx9 h GLN 64 CO 0.19 0.09 0.95 0.93 -1.93 0.00 0.00 178.83 179.06 1wx9 h GLU 65 N 0.14 0.00 0.00 1.69 3.07 -1.79 1.03 114.58 118.71 1wx9 h GLU 65 Ca 0.56 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.29 1wx9 h GLU 65 Cb 1.16 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.04 1wx9 h GLU 65 CO -0.73 0.00 -2.07 0.66 -1.40 0.00 0.00 179.01 175.47 1wx9 n TYR 66 N -3.81 0.00 -2.29 4.33 4.01 0.48 -5.01 117.16 114.86 1wx9 n TYR 66 Ca 0.24 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.95 1wx9 n TYR 66 Cb 1.31 -0.64 0.02 0.00 -0.31 0.00 0.00 39.34 39.71 1wx9 n TYR 66 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1wx9 n ASN 67 N -2.40 -2.06 -1.82 7.72 5.15 0.36 -4.93 115.26 117.28 1wx9 n ASN 67 Ca -0.14 -0.11 -0.16 0.00 -0.60 0.00 0.00 54.58 53.56 1wx9 n ASN 67 Cb 0.75 -1.34 0.11 0.00 -0.53 0.00 0.00 39.78 38.77 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 -1.66 2.50 -2.33 3.44 0.24 -1.24 -4.84 118.33 114.44 1wx9 n VAL 68 Ca -0.05 -1.34 -0.43 0.00 -2.04 0.00 0.00 64.34 60.49 1wx9 n VAL 68 Cb 0.53 -0.74 -0.02 0.00 -1.47 0.00 0.00 33.84 32.14 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 -0.47 1.49 0.00 7.63 0.00 -1.26 -2.62 107.32 112.10 1wx9 s GLY 69 Ca 0.37 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1wx9 s GLY 69 CO 0.06 2.66 0.00 0.61 0.00 0.00 0.00 173.10 176.43 1wx9 n GLY 70 N 4.02 0.20 3.95 0.20 0.00 0.40 -4.94 105.19 109.02 1wx9 n GLY 70 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.20 2.68 -0.35 1.61 -0.14 -1.08 -4.88 119.74 116.39 1wx9 s LYS 71 Ca 0.00 -0.43 -0.07 0.00 -1.36 0.00 0.00 55.97 54.11 1wx9 s LYS 71 Cb 0.00 -2.39 0.04 0.00 -1.68 0.00 0.00 37.83 33.80 1wx9 s LYS 71 CO 0.00 -0.71 0.13 0.08 -0.76 0.00 0.00 175.35 174.09 1wx9 s VAL 72 N -2.86 3.93 0.65 3.17 1.01 -1.26 -2.29 120.40 122.75 1wx9 s VAL 72 Ca 0.55 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1wx9 s VAL 72 Cb -0.10 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.10 1wx9 s VAL 72 CO 0.41 -0.21 0.93 -0.63 0.00 0.00 0.00 175.10 175.60 1wx9 s ILE 73 N 1.43 2.41 -0.39 2.22 1.01 -1.19 -4.92 121.20 121.77 1wx9 s ILE 73 Ca -0.01 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.26 1wx9 s ILE 73 Cb -0.20 -2.99 0.11 0.00 0.01 0.00 0.00 42.46 39.39 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 -3.07 3.41 0.30 3.97 3.76 0.18 -1.56 115.29 122.28 1wx9 s HIS 74 Ca 0.59 -2.96 -0.08 0.00 -0.15 0.00 0.00 55.06 52.46 1wx9 s HIS 74 Cb -0.10 -2.79 -0.06 0.00 1.11 0.00 0.00 32.58 30.74 1wx9 s HIS 74 CO 0.42 -0.88 0.60 -1.17 -0.85 0.00 0.00 174.74 172.87 1wx9 s LEU 75 N 0.57 4.04 -0.06 0.89 2.96 -1.07 -0.45 118.68 125.56 1wx9 s LEU 75 Ca 0.13 0.87 -0.10 0.00 -0.22 0.00 0.00 54.13 54.81 1wx9 s LEU 75 Cb -0.21 -3.69 0.02 0.00 0.50 0.00 0.00 46.19 42.81 1wx9 s LEU 75 CO -0.06 -0.20 0.25 0.68 -1.32 0.00 0.00 176.35 175.69 1wx9 s VAL 76 N -2.06 0.03 -0.12 1.68 -7.23 -1.15 -4.62 120.40 106.92 1wx9 s VAL 76 Ca 0.47 -0.25 0.01 0.00 -1.81 0.00 0.00 61.98 60.40 1wx9 s VAL 76 Cb -0.11 -0.44 -0.01 0.00 0.56 0.00 0.00 36.38 36.38 1wx9 s VAL 76 CO 0.27 -0.14 -0.17 -0.70 -0.31 0.00 0.00 175.10 174.06 1wx9 s GLU 77 N -0.51 3.25 0.34 4.82 -6.30 -1.26 -2.32 118.70 116.72 1wx9 s GLU 77 Ca -0.06 -0.76 -0.24 0.00 -2.50 0.00 0.00 54.97 51.42 1wx9 s GLU 77 Cb -0.04 -2.52 -0.16 0.00 0.00 0.00 0.00 34.13 31.41 1wx9 s GLU 77 CO 0.02 0.17 0.30 0.54 0.02 0.00 0.00 175.26 176.30 1wx9 n ARG 78 N 3.61 0.12 -2.32 4.30 1.74 -1.22 -4.90 116.66 117.99 1wx9 n ARG 78 Ca -0.19 0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.61 1wx9 n ARG 78 Cb 0.53 -1.09 -0.02 0.00 -1.02 0.00 0.00 32.46 30.85 1wx9 n ARG 78 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wx9 s ALA 79 N -1.44 2.98 -1.24 7.54 0.00 -1.26 -4.93 121.76 123.42 1wx9 s ALA 79 Ca 0.61 0.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 1wx9 s ALA 79 Cb -0.72 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.24 1wx9 s ALA 79 CO 0.60 -0.38 1.85 -0.35 0.00 0.00 0.00 175.76 177.48 1wx9 n PRO 80 N -1.67 2.41 -3.70 0.00 -0.04 -1.26 -4.84 135.00 125.90 1wx9 n PRO 80 Ca 0.07 -2.86 -0.12 0.00 -0.04 0.00 0.00 63.50 60.56 1wx9 n PRO 80 Cb 0.54 -3.59 -0.10 0.00 -0.04 0.00 0.00 33.50 30.31 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 5.26 -0.55 0.00 3.54 0.15 -1.26 -5.13 113.70 115.70 1wx9 s SER 81 Ca 0.61 0.99 0.00 0.00 0.70 0.00 0.00 55.95 58.24 1wx9 s SER 81 Cb 0.02 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 1wx9 s SER 81 CO 0.10 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1wx9 n GLY 82 N 3.54 0.03 3.74 9.45 0.00 -1.26 -4.96 105.19 115.73 1wx9 n GLY 82 Ca -0.18 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.27 4.58 -0.10 1.61 0.04 -1.26 -4.98 135.00 131.62 1wx9 s PRO 83 Ca 0.00 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 62.75 1wx9 s PRO 83 Cb 0.00 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1wx9 s PRO 83 CO 0.00 0.05 0.12 1.03 0.04 0.00 0.00 177.00 178.24 1wx9 h SER 84 N 5.09 -0.02 -3.22 6.66 0.87 -2.03 -3.50 113.55 117.40 1wx9 h SER 84 Ca -0.44 -0.13 0.32 0.00 -1.23 0.00 0.00 61.79 60.31 1wx9 h SER 84 Cb 1.21 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.02 1wx9 h SER 84 CO 0.73 0.54 -0.98 -1.20 -0.53 0.00 0.00 176.83 175.39 1wx9 n SER 85 N -4.77 -7.45 0.00 6.23 7.64 -1.26 -5.29 113.62 108.72 1wx9 n SER 85 Ca -0.02 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1wx9 n SER 85 Cb 0.07 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 58.75 1wx9 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64