#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 -3.02 -3.49 1.61 2.88 -1.26 -5.03 113.62 105.31 1wx9 n SER 2 Ca 0.00 1.30 -0.17 0.00 -1.33 0.00 0.00 58.87 58.67 1wx9 n SER 2 Cb 0.00 -4.20 -0.13 0.00 -0.75 0.00 0.00 64.21 59.13 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 -0.47 1.22 0.43 -3.46 0.15 -1.26 -5.12 113.70 105.20 1wx9 s SER 3 Ca -0.18 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1wx9 s SER 3 Cb 0.01 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1wx9 s SER 3 CO 0.49 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1wx9 n GLY 4 N 5.32 -2.35 3.02 9.45 0.00 -1.26 -4.93 105.19 114.45 1wx9 n GLY 4 Ca -0.05 -1.08 -0.01 0.00 0.00 0.00 0.00 46.02 44.88 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 -7.15 -1.37 -0.27 1.61 0.15 -1.26 -5.11 113.70 100.30 1wx9 s SER 5 Ca 0.00 -1.00 -0.00 0.00 0.70 0.00 0.00 55.95 55.65 1wx9 s SER 5 Cb 0.00 1.76 0.15 0.00 -1.71 0.00 0.00 66.02 66.22 1wx9 s SER 5 CO 0.00 -0.12 0.38 -0.44 1.20 0.00 0.00 173.24 174.26 1wx9 s SER 6 N 1.53 0.56 0.00 5.45 0.01 -1.26 -5.13 113.70 114.86 1wx9 s SER 6 Ca 0.20 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1wx9 s SER 6 Cb -0.02 1.00 0.00 0.00 0.21 0.00 0.00 66.02 67.22 1wx9 s SER 6 CO -0.07 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1wx9 n GLY 7 N 5.35 -0.56 3.76 3.44 0.00 -1.26 -4.93 105.19 110.99 1wx9 n GLY 7 Ca -0.01 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 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 4.35 0.19 0.99 0.20 0.35 -4.89 118.68 119.88 1wx9 s LEU 8 Ca 0.00 0.92 -0.16 0.00 0.69 0.00 0.00 54.13 55.58 1wx9 s LEU 8 Cb 0.00 -2.71 -0.08 0.00 -0.43 0.00 0.00 46.19 42.98 1wx9 s LEU 8 CO 0.00 0.10 0.62 -0.70 -0.29 0.00 0.00 176.35 176.09 1wx9 s GLU 9 N 0.03 4.06 -0.13 1.98 2.12 -1.26 -0.61 118.70 124.89 1wx9 s GLU 9 Ca 0.26 0.61 -0.06 0.00 0.36 0.00 0.00 54.97 56.14 1wx9 s GLU 9 Cb -0.16 -2.85 0.05 0.00 0.26 0.00 0.00 34.13 31.43 1wx9 s GLU 9 CO 0.12 0.41 0.30 0.08 -0.54 0.00 0.00 175.26 175.63 1wx9 s VAL 10 N -1.55 -0.12 0.40 3.70 1.01 0.49 -1.12 120.40 123.22 1wx9 s VAL 10 Ca 0.41 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.63 1wx9 s VAL 10 Cb -0.15 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1wx9 s VAL 10 CO 0.20 0.06 0.43 -0.76 0.00 0.00 0.00 175.10 175.03 1wx9 s LEU 11 N 1.53 3.53 -0.22 3.92 1.02 -1.05 0.17 118.68 127.57 1wx9 s LEU 11 Ca -0.08 -0.58 -0.11 0.00 0.02 0.00 0.00 54.13 53.38 1wx9 s LEU 11 Cb -0.10 -2.30 0.08 0.00 0.02 0.00 0.00 46.19 43.88 1wx9 s LEU 11 CO -0.10 -0.64 0.53 -0.69 0.02 0.00 0.00 176.35 175.47 1wx9 s VAL 12 N -2.40 -0.17 -0.08 -1.59 1.01 -0.98 -3.34 120.40 112.84 1wx9 s VAL 12 Ca 0.49 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.57 1wx9 s VAL 12 Cb -0.06 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1wx9 s VAL 12 CO 0.30 0.02 -0.21 -0.75 0.00 0.00 0.00 175.10 174.46 1wx9 s LYS 13 N 1.76 2.87 0.25 2.72 2.20 -0.86 -1.77 119.74 126.90 1wx9 s LYS 13 Ca -0.08 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 1wx9 s LYS 13 Cb -0.08 -2.33 -0.00 0.00 -1.51 0.00 0.00 37.83 33.91 1wx9 s LYS 13 CO -0.16 0.32 0.01 0.25 -0.36 0.00 0.00 175.35 175.41 1wx9 n THR 14 N 3.16 0.00 -0.18 3.43 -2.24 -1.26 -2.64 114.28 114.54 1wx9 n THR 14 Ca -0.18 -1.21 -0.00 0.00 -2.27 0.00 0.00 64.05 60.38 1wx9 n THR 14 Cb 0.52 0.28 0.09 0.00 -2.10 0.00 0.00 70.33 69.13 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 -0.01 -1.28 3.22 -0.00 -2.00 0.29 115.31 115.53 1wx9 h LEU 15 Ca -0.20 0.11 0.31 0.00 -0.00 0.00 0.00 57.88 58.09 1wx9 h LEU 15 Cb 0.64 0.15 -0.11 0.00 -0.00 0.00 0.00 40.66 41.34 1wx9 h LEU 15 CO 0.34 0.01 0.69 0.44 -0.00 0.00 0.00 178.44 179.91 1wx9 h ASP 16 N 0.24 0.44 -2.06 -0.43 5.19 -2.00 -3.45 116.42 114.36 1wx9 h ASP 16 Ca 0.29 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.80 1wx9 h ASP 16 Cb 0.42 0.06 0.01 0.00 0.18 0.00 0.00 39.33 40.00 1wx9 h ASP 16 CO -0.38 -0.01 -0.03 -0.24 -3.12 0.00 0.00 179.24 175.46 1wx9 n SER 17 N -4.73 -2.02 -3.64 6.45 2.88 0.10 -5.04 113.62 107.62 1wx9 n SER 17 Ca 0.29 -0.03 -0.28 0.00 -1.33 0.00 0.00 58.87 57.53 1wx9 n SER 17 Cb 1.00 -0.70 -0.11 0.00 -0.75 0.00 0.00 64.21 63.64 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 -4.17 1.54 0.19 -1.46 -0.21 -1.26 -4.97 119.66 109.32 1wx9 s GLN 18 Ca 0.00 -2.53 -0.32 0.00 0.02 0.00 0.00 55.36 52.53 1wx9 s GLN 18 Cb -0.00 -2.32 -0.15 0.00 1.00 0.00 0.00 33.01 31.54 1wx9 s GLN 18 CO 0.03 -1.31 1.14 2.41 -2.12 0.00 0.00 175.29 175.44 1wx9 n THR 19 N 2.67 1.06 -3.93 -0.19 -1.04 -1.26 -4.74 114.28 106.86 1wx9 n THR 19 Ca 0.22 -0.27 -0.28 0.00 -2.04 0.00 0.00 64.05 61.68 1wx9 n THR 19 Cb 0.41 -0.87 -0.17 0.00 -1.82 0.00 0.00 70.33 67.88 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 -0.55 1.69 0.16 -2.82 0.52 -0.73 -4.92 118.95 112.30 1wx9 s ARG 20 Ca 0.71 -0.49 -0.30 0.00 -0.52 0.00 0.00 55.73 55.13 1wx9 s ARG 20 Cb -0.83 -1.95 -0.07 0.00 0.52 0.00 0.00 34.95 32.62 1wx9 s ARG 20 CO 0.53 -0.35 1.00 0.99 0.02 0.00 0.00 175.30 177.49 1wx9 s THR 21 N 1.60 4.19 -0.02 0.02 2.01 -1.26 -2.33 115.64 119.85 1wx9 s THR 21 Ca 0.02 1.93 0.02 0.00 0.31 0.00 0.00 61.69 63.98 1wx9 s THR 21 Cb -0.14 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.14 1wx9 s THR 21 CO -0.08 0.35 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.75 1wx9 s PHE 22 N -0.37 0.85 -0.39 4.92 0.08 0.46 -4.94 117.98 118.59 1wx9 s PHE 22 Ca 0.46 -0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.26 1wx9 s PHE 22 Cb -0.26 -0.60 0.08 0.00 -0.57 0.00 0.00 43.02 41.67 1wx9 s PHE 22 CO 0.32 -0.08 0.19 0.42 -0.10 0.00 0.00 175.22 175.97 1wx9 s ILE 23 N 0.13 3.63 0.25 0.64 -1.09 -1.26 0.19 121.20 123.69 1wx9 s ILE 23 Ca -0.02 -1.63 0.07 0.00 -2.23 0.00 0.00 60.65 56.84 1wx9 s ILE 23 Cb -0.07 -3.29 -0.05 0.00 -1.58 0.00 0.00 42.46 37.46 1wx9 s ILE 23 CO 0.00 -0.49 -0.08 0.68 -1.23 0.00 0.00 174.94 173.82 1wx9 s VAL 24 N 1.29 1.65 -0.02 2.92 -7.23 0.22 -4.90 120.40 114.33 1wx9 s VAL 24 Ca 0.03 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 57.75 1wx9 s VAL 24 Cb -0.22 -2.32 -0.06 0.00 0.56 0.00 0.00 36.38 34.34 1wx9 s VAL 24 CO -0.01 -0.39 1.57 -0.83 -0.31 0.00 0.00 175.10 175.13 1wx9 s GLY 25 N -3.40 1.62 0.39 2.32 0.00 -1.26 -0.50 107.32 106.50 1wx9 s GLY 25 Ca 0.27 0.97 0.22 0.00 0.00 0.00 0.00 44.72 46.17 1wx9 s GLY 25 CO 0.10 2.85 1.65 0.00 0.00 0.00 0.00 173.10 177.70 1wx9 h ALA 26 N 8.76 2.31 -0.72 3.20 0.00 -1.92 1.45 119.26 132.34 1wx9 h ALA 26 Ca -0.39 0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1wx9 h ALA 26 Cb 1.18 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1wx9 h ALA 26 CO 0.94 -0.93 0.46 1.96 0.00 0.00 0.00 179.25 181.68 1wx9 h GLN 27 N 0.20 0.89 -5.67 0.00 7.50 -2.01 -3.37 115.11 112.66 1wx9 h GLN 27 Ca 0.77 -0.05 -0.57 0.00 0.50 0.00 0.00 58.65 59.29 1wx9 h GLN 27 Cb 2.06 -0.20 0.16 0.00 0.05 0.00 0.00 27.48 29.56 1wx9 h GLN 27 CO -0.52 0.59 -1.03 -0.12 -1.50 0.00 0.00 178.83 176.25 1wx9 n MET 28 N -4.62 0.00 -4.06 1.46 1.56 0.50 -4.89 117.12 107.06 1wx9 n MET 28 Ca 0.07 0.00 -0.28 0.00 -0.27 0.00 0.00 57.70 57.23 1wx9 n MET 28 Cb 0.05 -0.94 -0.06 0.00 2.15 0.00 0.00 33.22 34.42 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 -0.94 5.59 0.28 6.12 2.20 -1.26 -3.88 114.94 123.04 1wx9 s ASN 29 Ca 0.54 -0.07 -0.03 0.00 -0.94 0.00 0.00 52.86 52.36 1wx9 s ASN 29 Cb -0.51 -1.49 0.57 0.00 -2.00 0.00 0.00 41.25 37.82 1wx9 s ASN 29 CO 0.61 0.10 1.60 0.58 -2.94 0.00 0.00 177.10 177.06 1wx9 h VAL 30 N 2.18 0.17 -0.14 3.54 2.07 -0.21 0.22 116.25 124.09 1wx9 h VAL 30 Ca -0.47 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1wx9 h VAL 30 Cb 1.19 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1wx9 h VAL 30 CO 0.65 0.01 -0.29 0.50 0.02 0.00 0.00 177.57 178.45 1wx9 h LYS 31 N 0.06 -0.26 -0.15 1.57 3.64 0.31 0.86 116.57 122.59 1wx9 h LYS 31 Ca 0.50 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.94 1wx9 h LYS 31 Cb 0.93 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.75 1wx9 h LYS 31 CO -0.81 -0.17 -0.28 0.93 -2.27 0.00 0.00 179.45 176.85 1wx9 h GLU 32 N -0.27 -0.33 -1.32 1.90 5.08 -1.15 0.81 114.58 119.29 1wx9 h GLU 32 Ca 0.03 0.02 0.40 0.00 -1.00 0.00 0.00 59.36 58.81 1wx9 h GLU 32 Cb 0.34 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.56 1wx9 h GLU 32 CO -0.27 -0.22 0.89 0.35 -1.00 0.00 0.00 179.01 178.76 1wx9 h PHE 33 N -0.34 0.40 -0.29 4.33 3.57 0.04 1.50 116.94 126.14 1wx9 h PHE 33 Ca 0.11 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 1wx9 h PHE 33 Cb 0.51 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1wx9 h PHE 33 CO -0.39 -0.09 -0.37 0.87 -2.23 0.00 0.00 178.31 176.10 1wx9 h LYS 34 N 0.13 0.77 -0.01 1.11 1.57 0.16 -1.63 116.57 118.67 1wx9 h LYS 34 Ca 0.75 -0.43 -0.08 0.00 -1.87 0.00 0.00 60.65 59.01 1wx9 h LYS 34 Cb 2.45 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.78 1wx9 h LYS 34 CO -0.27 1.06 -0.39 0.93 -0.57 0.00 0.00 179.45 180.20 1wx9 h GLU 35 N 0.52 0.02 0.54 3.15 5.08 0.24 1.15 114.58 125.29 1wx9 h GLU 35 Ca 0.04 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1wx9 h GLU 35 Cb 0.96 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1wx9 h GLU 35 CO 0.09 0.41 -0.26 1.25 -1.00 0.00 0.00 179.01 179.50 1wx9 h HIS 36 N 0.02 -0.67 0.00 4.33 2.76 -0.29 -3.21 115.15 118.09 1wx9 h HIS 36 Ca -0.00 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 1wx9 h HIS 36 Cb 0.70 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 1wx9 h HIS 36 CO 0.00 -0.42 -0.32 -0.84 -1.30 0.00 0.00 177.93 175.05 1wx9 h ILE 37 N -1.15 0.97 -1.87 6.26 3.07 -1.29 -2.82 117.51 120.68 1wx9 h ILE 37 Ca -0.07 -1.20 0.55 0.00 1.55 0.00 0.00 64.86 65.68 1wx9 h ILE 37 Cb 0.56 1.70 -0.08 0.00 -0.27 0.00 0.00 36.82 38.73 1wx9 h ILE 37 CO 0.12 0.31 1.34 0.00 -1.05 0.00 0.00 178.15 178.87 1wx9 h ALA 38 N 1.68 3.74 0.17 0.16 0.00 0.14 1.28 119.26 126.43 1wx9 h ALA 38 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1wx9 h ALA 38 Cb 0.67 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1wx9 h ALA 38 CO 0.04 -2.29 -0.08 0.00 0.00 0.00 0.00 179.25 176.92 1wx9 h ALA 39 N 1.08 -0.23 0.61 0.00 0.00 -1.60 0.11 119.26 119.24 1wx9 h ALA 39 Ca 0.90 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.56 1wx9 h ALA 39 Cb 3.58 0.09 0.01 0.00 0.00 0.00 0.00 17.79 21.46 1wx9 h ALA 39 CO -0.04 -0.30 -0.29 0.77 0.00 0.00 0.00 179.25 179.39 1wx9 h SER 40 N -0.89 -0.70 -0.58 0.00 0.02 0.11 -2.74 113.55 108.77 1wx9 h SER 40 Ca -0.02 0.02 0.15 0.00 -0.84 0.00 0.00 61.79 61.10 1wx9 h SER 40 Cb 0.51 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 1wx9 h SER 40 CO 0.04 -0.46 0.41 -0.37 -1.14 0.00 0.00 176.83 175.31 1wx9 h VAL 41 N -0.90 0.76 -0.69 2.27 -1.51 0.02 -3.45 116.25 112.75 1wx9 h VAL 41 Ca -0.08 -0.04 -0.13 0.00 -1.23 0.00 0.00 66.70 65.22 1wx9 h VAL 41 Cb 0.63 0.64 -0.02 0.00 -2.13 0.00 0.00 31.29 30.40 1wx9 h VAL 41 CO 0.14 0.02 -0.15 -0.24 -1.23 0.00 0.00 177.57 176.11 1wx9 n SER 42 N -4.41 -2.97 -4.25 4.19 2.88 0.31 -5.03 113.62 104.35 1wx9 n SER 42 Ca 0.11 0.05 -0.27 0.00 -1.33 0.00 0.00 58.87 57.43 1wx9 n SER 42 Cb 0.58 -1.84 -0.15 0.00 -0.75 0.00 0.00 64.21 62.04 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 -2.29 1.72 0.36 2.46 1.01 -0.66 -4.99 121.20 118.82 1wx9 s ILE 43 Ca 0.00 -1.04 -0.26 0.00 0.00 0.00 0.00 60.65 59.35 1wx9 s ILE 43 Cb 0.00 -1.45 -0.09 0.00 0.01 0.00 0.00 42.46 40.92 1wx9 s ILE 43 CO 0.00 0.39 1.06 -2.16 0.00 0.00 0.00 174.94 174.23 1wx9 s PRO 44 N -0.76 4.33 0.22 2.79 0.04 -1.26 -4.18 135.00 136.18 1wx9 s PRO 44 Ca 0.08 1.61 -0.09 0.00 0.04 0.00 0.00 61.00 62.65 1wx9 s PRO 44 Cb -0.09 -2.77 0.34 0.00 0.04 0.00 0.00 34.50 32.03 1wx9 s PRO 44 CO 0.00 -0.01 1.68 0.66 0.04 0.00 0.00 177.00 179.37 1wx9 h SER 45 N 2.96 -0.10 0.00 6.66 4.64 -1.93 1.16 113.55 126.96 1wx9 h SER 45 Ca -0.48 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1wx9 h SER 45 Cb 1.21 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1wx9 h SER 45 CO 0.64 -0.05 0.18 1.05 -0.87 0.00 0.00 176.83 177.78 1wx9 h GLU 46 N 0.21 0.00 0.00 4.77 4.11 -1.97 0.39 114.58 122.09 1wx9 h GLU 46 Ca 0.35 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.50 1wx9 h GLU 46 Cb 0.56 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1wx9 h GLU 46 CO -0.48 0.00 -2.18 1.63 0.07 0.00 0.00 179.01 178.06 1wx9 n LYS 47 N -2.77 0.67 -1.10 1.06 5.02 0.36 -4.93 118.16 116.47 1wx9 n LYS 47 Ca -0.02 -0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.96 1wx9 n LYS 47 Cb 0.23 -1.57 0.13 0.00 -0.02 0.00 0.00 35.03 33.80 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 -2.74 1.51 -0.43 1.97 -0.21 0.14 -2.39 119.66 117.50 1wx9 s GLN 48 Ca -0.09 1.09 0.02 0.00 0.02 0.00 0.00 55.36 56.41 1wx9 s GLN 48 Cb 0.08 -1.82 0.23 0.00 1.00 0.00 0.00 33.01 32.51 1wx9 s GLN 48 CO 0.84 -2.15 0.97 -2.13 -2.12 0.00 0.00 175.29 170.71 1wx9 n ARG 49 N -3.85 0.46 -1.68 2.91 0.63 -1.09 -4.85 116.66 109.18 1wx9 n ARG 49 Ca 0.08 -1.40 -0.45 0.00 -0.92 0.00 0.00 57.85 55.16 1wx9 n ARG 49 Cb 0.54 -0.92 -0.04 0.00 0.45 0.00 0.00 32.46 32.49 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 2.05 3.45 -3.84 6.15 4.77 -1.26 -3.71 117.00 124.61 1wx9 n LEU 50 Ca 0.10 1.05 -0.21 0.00 -0.03 0.00 0.00 56.01 56.92 1wx9 n LEU 50 Cb 0.64 -1.46 -0.17 0.00 -2.33 0.00 0.00 43.42 40.10 1wx9 n LEU 50 CO -0.04 -0.10 -0.39 -0.63 -1.33 0.00 0.00 177.39 174.89 1wx9 s ILE 51 N 1.76 0.43 -0.18 -0.08 1.01 -0.70 0.69 121.20 124.13 1wx9 s ILE 51 Ca 0.81 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 61.44 1wx9 s ILE 51 Cb -0.62 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.34 1wx9 s ILE 51 CO 0.39 0.23 -0.15 -0.47 0.00 0.00 0.00 174.94 174.94 1wx9 s TYR 52 N 1.29 2.82 0.00 3.97 6.14 -0.60 -0.54 117.35 130.44 1wx9 s TYR 52 Ca -0.05 -1.33 0.00 0.00 0.64 0.00 0.00 57.07 56.32 1wx9 s TYR 52 Cb -0.13 -1.96 0.00 0.00 0.42 0.00 0.00 41.96 40.29 1wx9 s TYR 52 CO -0.02 -0.67 0.00 1.04 0.64 0.00 0.00 175.55 176.54 1wx9 n GLN 53 N 4.54 0.00 -1.00 4.97 1.13 -1.26 -2.28 117.38 123.47 1wx9 n GLN 53 Ca -0.20 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 54.86 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 -0.48 2.90 1.08 0.00 -1.26 -5.15 105.19 102.29 1wx9 n GLY 54 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 0.26 -0.45 1.61 0.52 -0.97 -5.11 118.95 114.82 1wx9 s ARG 55 Ca 0.00 -0.08 -0.29 0.00 -0.52 0.00 0.00 55.73 54.85 1wx9 s ARG 55 Cb 0.02 -0.29 0.03 0.00 0.52 0.00 0.00 34.95 35.23 1wx9 s ARG 55 CO -0.01 0.03 1.11 0.54 0.02 0.00 0.00 175.30 177.00 1wx9 s VAL 56 N 0.13 4.28 0.03 3.52 0.11 -1.26 -1.55 120.40 125.66 1wx9 s VAL 56 Ca -0.01 1.29 -0.30 0.00 -2.93 0.00 0.00 61.98 60.03 1wx9 s VAL 56 Cb -0.04 -4.56 -0.08 0.00 -1.53 0.00 0.00 36.38 30.17 1wx9 s VAL 56 CO -0.00 -0.91 1.79 -0.76 -3.33 0.00 0.00 175.10 171.89 1wx9 s LEU 57 N 4.27 4.38 0.37 2.54 1.43 0.22 -4.93 118.68 126.97 1wx9 s LEU 57 Ca 0.47 2.52 -0.28 0.00 -1.03 0.00 0.00 54.13 55.81 1wx9 s LEU 57 Cb -0.08 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 1wx9 s LEU 57 CO 0.28 -0.97 1.38 -1.10 0.23 0.00 0.00 176.35 176.18 1wx9 s GLN 58 N 3.68 4.12 0.36 1.70 1.11 -1.26 -4.59 119.66 124.78 1wx9 s GLN 58 Ca 0.80 2.36 0.10 0.00 0.01 0.00 0.00 55.36 58.62 1wx9 s GLN 58 Cb -0.40 -2.93 0.67 0.00 -1.01 0.00 0.00 33.01 29.34 1wx9 s GLN 58 CO 0.35 -0.44 1.82 -0.44 0.01 0.00 0.00 175.29 176.59 1wx9 h ASP 59 N 2.99 0.14 -0.06 5.90 5.19 -1.92 -2.47 116.42 126.20 1wx9 h ASP 59 Ca -0.50 -0.05 -0.20 0.00 -0.62 0.00 0.00 57.03 55.66 1wx9 h ASP 59 Cb 1.24 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1wx9 h ASP 59 CO 0.64 0.45 -0.70 -0.78 -3.12 0.00 0.00 179.24 175.73 1wx9 h ASP 60 N 0.13 0.81 -3.12 6.45 1.82 -1.95 0.74 116.42 121.30 1wx9 h ASP 60 Ca 0.02 -0.50 -0.44 0.00 -0.39 0.00 0.00 57.03 55.72 1wx9 h ASP 60 Cb 0.61 -0.24 0.22 0.00 0.68 0.00 0.00 39.33 40.60 1wx9 h ASP 60 CO 0.04 1.28 -0.13 0.29 -1.61 0.00 0.00 179.24 179.11 1wx9 n LYS 61 N -3.93 -2.40 -4.36 0.28 4.76 -0.93 -4.61 118.16 106.97 1wx9 n LYS 61 Ca -0.06 -0.67 -0.27 0.00 -2.87 0.00 0.00 58.31 54.45 1wx9 n LYS 61 Cb 0.70 -2.12 -0.10 0.00 -1.84 0.00 0.00 35.03 31.67 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 -4.29 1.79 0.07 1.97 1.02 -1.26 0.20 119.74 119.24 1wx9 s LYS 62 Ca 0.67 -1.42 -0.36 0.00 0.02 0.00 0.00 55.97 54.88 1wx9 s LYS 62 Cb -0.24 -1.99 -0.19 0.00 -0.52 0.00 0.00 37.83 34.89 1wx9 s LYS 62 CO 0.65 0.41 1.56 -0.07 -0.92 0.00 0.00 175.35 176.98 1wx9 h LEU 63 N 3.00 -1.27 -0.87 3.17 -0.00 -1.79 -2.39 115.31 115.16 1wx9 h LEU 63 Ca -0.46 0.08 0.23 0.00 -0.00 0.00 0.00 57.88 57.72 1wx9 h LEU 63 Cb 1.21 0.38 -0.15 0.00 -0.00 0.00 0.00 40.66 42.10 1wx9 h LEU 63 CO 0.52 -0.74 0.17 -0.61 -0.00 0.00 0.00 178.44 177.77 1wx9 h GLN 64 N -1.17 0.15 -0.46 1.13 4.15 -1.86 0.16 115.11 117.21 1wx9 h GLN 64 Ca -0.10 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.39 1wx9 h GLN 64 Cb 0.95 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 28.51 1wx9 h GLN 64 CO 0.08 0.10 -0.41 0.93 -1.93 0.00 0.00 178.83 177.60 1wx9 h GLU 65 N 0.16 -0.27 0.00 1.69 4.39 -1.75 0.52 114.58 119.32 1wx9 h GLU 65 Ca 0.53 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.23 1wx9 h GLU 65 Cb 1.06 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1wx9 h GLU 65 CO -0.69 -0.18 -0.12 1.88 -1.16 0.00 0.00 179.01 178.74 1wx9 h TYR 66 N -0.28 0.00 -1.88 4.33 0.05 -0.52 -3.47 116.97 115.20 1wx9 h TYR 66 Ca 0.16 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.91 1wx9 h TYR 66 Cb 0.57 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.33 1wx9 h TYR 66 CO -0.63 0.12 -0.06 -1.71 -1.05 0.00 0.00 178.16 174.82 1wx9 n ASN 67 N -3.39 -2.20 -1.67 3.88 2.85 0.18 -4.94 115.26 109.98 1wx9 n ASN 67 Ca -0.01 -0.05 -0.08 0.00 -0.11 0.00 0.00 54.58 54.33 1wx9 n ASN 67 Cb 0.30 -0.91 0.18 0.00 1.24 0.00 0.00 39.78 40.59 1wx9 n ASN 67 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1wx9 n VAL 68 N -2.00 2.23 -2.06 3.44 0.24 -1.15 -4.81 118.33 114.22 1wx9 n VAL 68 Ca -0.01 -1.15 -0.43 0.00 -2.04 0.00 0.00 64.34 60.71 1wx9 n VAL 68 Cb 0.51 -0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 32.33 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 1.00 0.00 7.63 0.00 -1.26 -2.05 107.32 112.11 1wx9 s GLY 69 Ca 0.38 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.45 1wx9 s GLY 69 CO 0.09 3.14 0.00 0.61 0.00 0.00 0.00 173.10 176.94 1wx9 n GLY 70 N 5.09 0.27 3.96 0.20 0.00 -0.27 -4.96 105.19 109.47 1wx9 n GLY 70 Ca 0.21 0.00 -0.23 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 -0.99 2.51 -0.25 1.61 -0.14 -0.87 -4.88 119.74 116.73 1wx9 s LYS 71 Ca 0.00 -0.56 -0.06 0.00 -1.36 0.00 0.00 55.97 53.99 1wx9 s LYS 71 Cb 0.00 -2.39 -0.02 0.00 -1.68 0.00 0.00 37.83 33.74 1wx9 s LYS 71 CO 0.00 -0.82 0.04 0.08 -0.76 0.00 0.00 175.35 173.89 1wx9 s VAL 72 N -2.90 3.99 0.59 3.17 1.01 -1.26 -2.54 120.40 122.45 1wx9 s VAL 72 Ca 0.57 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.26 1wx9 s VAL 72 Cb -0.10 -2.88 0.08 0.00 0.00 0.00 0.00 36.38 33.47 1wx9 s VAL 72 CO 0.41 0.32 0.81 -0.63 0.00 0.00 0.00 175.10 176.01 1wx9 s ILE 73 N 1.56 2.35 -0.46 2.22 1.01 -1.21 -4.90 121.20 121.77 1wx9 s ILE 73 Ca 0.06 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1wx9 s ILE 73 Cb -0.15 -2.51 0.13 0.00 0.01 0.00 0.00 42.46 39.94 1wx9 s ILE 73 CO 0.01 0.00 0.24 -1.00 0.00 0.00 0.00 174.94 174.20 1wx9 s HIS 74 N -2.76 2.28 0.43 3.97 3.76 0.30 -2.03 115.29 121.25 1wx9 s HIS 74 Ca 0.61 -2.61 -0.17 0.00 -0.15 0.00 0.00 55.06 52.74 1wx9 s HIS 74 Cb -0.07 -2.12 -0.09 0.00 1.11 0.00 0.00 32.58 31.41 1wx9 s HIS 74 CO 0.39 -0.77 0.89 -1.17 -0.85 0.00 0.00 174.74 173.23 1wx9 s LEU 75 N 0.19 3.84 0.06 0.89 2.96 -1.08 -1.71 118.68 123.83 1wx9 s LEU 75 Ca 0.17 1.48 -0.14 0.00 -0.22 0.00 0.00 54.13 55.43 1wx9 s LEU 75 Cb -0.25 -4.36 0.02 0.00 0.50 0.00 0.00 46.19 42.11 1wx9 s LEU 75 CO 0.00 -0.41 0.32 0.68 -1.32 0.00 0.00 176.35 175.62 1wx9 s VAL 76 N -2.32 0.08 -0.36 1.68 -7.23 -1.24 -4.56 120.40 106.45 1wx9 s VAL 76 Ca 0.58 -0.69 -0.04 0.00 -1.81 0.00 0.00 61.98 60.01 1wx9 s VAL 76 Cb -0.10 -1.02 0.07 0.00 0.56 0.00 0.00 36.38 35.89 1wx9 s VAL 76 CO 0.23 -0.38 0.13 -0.70 -0.31 0.00 0.00 175.10 174.07 1wx9 s GLU 77 N -2.88 2.37 0.41 4.82 2.12 -1.26 -2.67 118.70 121.61 1wx9 s GLU 77 Ca -0.03 -1.45 0.00 0.00 0.36 0.00 0.00 54.97 53.85 1wx9 s GLU 77 Cb 0.00 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1wx9 s GLU 77 CO -0.05 -0.83 0.00 -2.13 -0.54 0.00 0.00 175.26 171.71 1wx9 n ARG 78 N 4.71 -0.62 -3.99 4.30 0.63 -1.00 -4.93 116.66 115.76 1wx9 n ARG 78 Ca -0.09 0.41 -0.08 0.00 -0.92 0.00 0.00 57.85 57.16 1wx9 n ARG 78 Cb 0.43 -0.75 -0.10 0.00 0.45 0.00 0.00 32.46 32.49 1wx9 n ARG 78 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wx9 s ALA 79 N -1.43 0.16 0.30 5.13 0.00 -1.26 -5.10 121.76 119.56 1wx9 s ALA 79 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 1wx9 s ALA 79 Cb 0.00 0.24 -0.09 0.00 0.00 0.00 0.00 23.12 23.26 1wx9 s ALA 79 CO 0.00 -0.30 1.08 -1.25 0.00 0.00 0.00 175.76 175.29 1wx9 s PRO 80 N -2.77 4.58 -0.03 0.00 0.04 -1.26 -4.34 135.00 131.22 1wx9 s PRO 80 Ca -0.04 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 1wx9 s PRO 80 Cb -0.00 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1wx9 s PRO 80 CO -0.06 0.18 0.03 -1.13 0.04 0.00 0.00 177.00 176.06 1wx9 n SER 81 N 0.99 -6.56 0.00 6.66 3.41 -1.26 -4.97 113.62 111.90 1wx9 n SER 81 Ca -0.00 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1wx9 n SER 81 Cb 0.46 -1.68 0.00 0.00 -0.26 0.00 0.00 64.21 62.73 1wx9 n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wx9 n GLY 82 N 1.21 -1.83 3.80 5.00 0.00 -1.26 -5.17 105.19 106.94 1wx9 n GLY 82 Ca -0.00 0.81 -0.30 0.00 0.00 0.00 0.00 46.02 46.52 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 2.01 0.20 1.61 0.04 -1.26 -4.84 135.00 132.77 1wx9 s PRO 83 Ca 0.00 0.61 -0.05 0.00 0.04 0.00 0.00 61.00 61.60 1wx9 s PRO 83 Cb 0.00 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1wx9 s PRO 83 CO 0.00 -1.67 0.23 -1.54 0.04 0.00 0.00 177.00 174.07 1wx9 s SER 84 N -3.91 0.09 0.30 6.66 1.04 -1.26 -5.02 113.70 111.60 1wx9 s SER 84 Ca 0.61 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1wx9 s SER 84 Cb -0.14 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1wx9 s SER 84 CO 0.54 -0.92 0.00 -1.20 0.98 0.00 0.00 173.24 172.65 1wx9 n SER 85 N -0.28 0.00 0.00 7.02 7.64 -1.26 -5.31 113.62 121.43 1wx9 n SER 85 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1wx9 n SER 85 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1wx9 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64