#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 -1.41 -4.95 1.61 2.88 -1.26 -5.10 113.62 105.39 1wx9 n SER 2 Ca 0.00 0.58 -0.24 0.00 -1.33 0.00 0.00 58.87 57.88 1wx9 n SER 2 Cb 0.00 1.60 0.05 0.00 -0.75 0.00 0.00 64.21 65.11 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 -2.00 5.07 0.00 -3.46 0.15 -1.26 -4.29 113.70 107.90 1wx9 s SER 3 Ca 0.00 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1wx9 s SER 3 Cb 0.00 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 1wx9 s SER 3 CO 0.00 -1.37 0.00 0.61 1.20 0.00 0.00 173.24 173.68 1wx9 n GLY 4 N -2.66 4.02 1.53 9.45 0.00 -1.26 -5.09 105.19 111.17 1wx9 n GLY 4 Ca 0.08 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.89 1wx9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wx9 n SER 5 N 0.00 -8.23 -4.69 1.61 7.64 -1.26 -4.63 113.62 104.06 1wx9 n SER 5 Ca 0.00 1.64 -0.56 0.00 1.01 0.00 0.00 58.87 60.96 1wx9 n SER 5 Cb 0.00 -5.15 -0.07 0.00 -1.01 0.00 0.00 64.21 57.98 1wx9 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wx9 n SER 6 N -3.84 2.37 -3.60 6.43 7.64 -1.26 -4.92 113.62 116.44 1wx9 n SER 6 Ca -0.07 1.07 -0.10 0.00 1.01 0.00 0.00 58.87 60.78 1wx9 n SER 6 Cb 0.64 -1.17 -0.02 0.00 -1.01 0.00 0.00 64.21 62.65 1wx9 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wx9 s GLY 7 N 3.14 -0.37 -0.15 0.23 0.00 -1.26 -4.90 107.32 104.02 1wx9 s GLY 7 Ca 0.96 0.12 -0.10 0.00 0.00 0.00 0.00 44.72 45.70 1wx9 s GLY 7 CO 0.62 -0.01 0.19 -2.27 0.00 0.00 0.00 173.10 171.63 1wx9 s LEU 8 N -2.82 4.30 0.23 0.66 0.20 0.62 -4.90 118.68 116.97 1wx9 s LEU 8 Ca 0.05 0.43 -0.18 0.00 0.69 0.00 0.00 54.13 55.12 1wx9 s LEU 8 Cb -0.02 -2.18 -0.08 0.00 -0.43 0.00 0.00 46.19 43.48 1wx9 s LEU 8 CO -0.06 0.26 0.70 -0.70 -0.29 0.00 0.00 176.35 176.26 1wx9 s GLU 9 N -0.24 4.17 -0.13 1.98 2.12 -1.26 -1.17 118.70 124.17 1wx9 s GLU 9 Ca 0.13 0.78 -0.07 0.00 0.36 0.00 0.00 54.97 56.17 1wx9 s GLU 9 Cb -0.12 -2.81 0.05 0.00 0.26 0.00 0.00 34.13 31.51 1wx9 s GLU 9 CO 0.02 0.36 0.31 0.08 -0.54 0.00 0.00 175.26 175.50 1wx9 s VAL 10 N -1.60 -0.03 0.41 3.70 1.01 0.39 -0.92 120.40 123.35 1wx9 s VAL 10 Ca 0.44 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.62 1wx9 s VAL 10 Cb -0.15 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1wx9 s VAL 10 CO 0.20 0.05 0.37 -0.76 0.00 0.00 0.00 175.10 174.96 1wx9 s LEU 11 N 1.23 3.43 -0.25 3.92 1.02 -1.10 0.18 118.68 127.11 1wx9 s LEU 11 Ca -0.09 -0.70 -0.07 0.00 0.02 0.00 0.00 54.13 53.30 1wx9 s LEU 11 Cb -0.09 -2.10 0.12 0.00 0.02 0.00 0.00 46.19 44.14 1wx9 s LEU 11 CO -0.09 -0.61 0.53 -0.69 0.02 0.00 0.00 176.35 175.50 1wx9 s VAL 12 N -2.44 -0.82 -0.33 -1.59 1.01 -0.95 -3.25 120.40 112.03 1wx9 s VAL 12 Ca 0.47 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 1wx9 s VAL 12 Cb -0.04 -0.85 0.04 0.00 0.00 0.00 0.00 36.38 35.54 1wx9 s VAL 12 CO 0.28 0.02 0.07 -0.75 0.00 0.00 0.00 175.10 174.72 1wx9 s LYS 13 N 2.75 2.56 0.58 2.72 2.20 -0.84 -2.19 119.74 127.52 1wx9 s LYS 13 Ca 0.01 -1.21 -0.10 0.00 -0.36 0.00 0.00 55.97 54.31 1wx9 s LYS 13 Cb -0.13 -3.37 0.14 0.00 -1.51 0.00 0.00 37.83 32.96 1wx9 s LYS 13 CO -0.16 -0.65 0.70 0.25 -0.36 0.00 0.00 175.35 175.13 1wx9 n THR 14 N 4.75 0.00 -1.36 3.43 -2.24 -1.17 -3.80 114.28 113.89 1wx9 n THR 14 Ca -0.13 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 60.89 1wx9 n THR 14 Cb 0.44 -1.56 -0.07 0.00 -2.10 0.00 0.00 70.33 67.04 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 7.29 -1.34 3.22 7.99 -1.26 -3.36 117.00 129.53 1wx9 n LEU 15 Ca 0.09 -4.07 -0.03 0.00 -0.01 0.00 0.00 56.01 51.99 1wx9 n LEU 15 Cb 0.32 -1.44 0.01 0.00 -0.11 0.00 0.00 43.42 42.20 1wx9 n LEU 15 CO 0.23 1.92 0.31 -0.67 -1.51 0.00 0.00 177.39 177.67 1wx9 n ASP 16 N 2.57 -0.68 -3.87 -1.43 2.03 -1.26 -5.02 116.55 108.88 1wx9 n ASP 16 Ca 0.61 -1.36 -0.32 0.00 0.52 0.00 0.00 54.79 54.24 1wx9 n ASP 16 Cb 0.48 0.26 0.01 0.00 -0.72 0.00 0.00 41.12 41.15 1wx9 n ASP 16 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1wx9 n SER 17 N -0.36 -4.35 -3.56 1.67 7.64 -1.21 -4.93 113.62 108.51 1wx9 n SER 17 Ca -0.14 -1.06 -0.29 0.00 1.01 0.00 0.00 58.87 58.39 1wx9 n SER 17 Cb 0.59 -1.52 -0.14 0.00 -1.01 0.00 0.00 64.21 62.13 1wx9 n SER 17 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1wx9 s GLN 18 N -5.78 0.40 -0.05 1.43 -0.21 -1.26 -5.00 119.66 109.19 1wx9 s GLN 18 Ca 0.17 -0.86 -0.18 0.00 0.02 0.00 0.00 55.36 54.51 1wx9 s GLN 18 Cb -0.10 -1.38 -0.05 0.00 1.00 0.00 0.00 33.01 32.48 1wx9 s GLN 18 CO 0.89 -1.06 0.50 0.99 -2.12 0.00 0.00 175.29 174.49 1wx9 s THR 19 N 1.72 5.05 -0.09 -0.19 2.01 -1.26 -3.05 115.64 119.83 1wx9 s THR 19 Ca 0.11 1.02 -0.01 0.00 0.31 0.00 0.00 61.69 63.12 1wx9 s THR 19 Cb -0.18 -3.83 0.03 0.00 0.01 0.00 0.00 72.50 68.53 1wx9 s THR 19 CO -0.25 0.42 -0.01 -0.13 -0.69 0.00 0.00 174.62 173.96 1wx9 s ARG 20 N -0.06 0.76 0.28 4.92 0.52 -0.93 -4.93 118.95 119.51 1wx9 s ARG 20 Ca 0.27 -0.02 -0.28 0.00 -0.52 0.00 0.00 55.73 55.18 1wx9 s ARG 20 Cb -0.17 -1.22 -0.09 0.00 0.52 0.00 0.00 34.95 33.99 1wx9 s ARG 20 CO 0.13 -0.34 0.96 0.99 0.02 0.00 0.00 175.30 177.06 1wx9 s THR 21 N 1.91 4.05 -0.01 0.02 2.01 -1.26 -2.24 115.64 120.13 1wx9 s THR 21 Ca 0.04 1.90 0.01 0.00 0.31 0.00 0.00 61.69 63.95 1wx9 s THR 21 Cb -0.13 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.25 1wx9 s THR 21 CO -0.06 0.33 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.82 1wx9 s PHE 22 N -1.37 0.29 -0.38 4.92 0.08 0.48 -4.94 117.98 117.06 1wx9 s PHE 22 Ca 0.46 -0.03 -0.04 0.00 0.12 0.00 0.00 56.93 57.43 1wx9 s PHE 22 Cb -0.24 -0.26 0.08 0.00 -0.57 0.00 0.00 43.02 42.04 1wx9 s PHE 22 CO 0.29 -0.05 0.15 0.42 -0.10 0.00 0.00 175.22 175.94 1wx9 s ILE 23 N 0.32 3.41 0.24 0.64 -1.09 -1.26 0.15 121.20 123.61 1wx9 s ILE 23 Ca -0.03 -1.69 0.06 0.00 -2.23 0.00 0.00 60.65 56.76 1wx9 s ILE 23 Cb -0.06 -3.16 -0.05 0.00 -1.58 0.00 0.00 42.46 37.61 1wx9 s ILE 23 CO -0.01 -0.46 -0.07 0.68 -1.23 0.00 0.00 174.94 173.85 1wx9 s VAL 24 N 1.24 1.53 -0.03 2.92 -7.23 -0.32 -4.65 120.40 113.86 1wx9 s VAL 24 Ca 0.03 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 57.77 1wx9 s VAL 24 Cb -0.22 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.37 1wx9 s VAL 24 CO -0.02 -0.40 1.61 -0.83 -0.31 0.00 0.00 175.10 175.14 1wx9 s GLY 25 N -3.37 1.58 0.31 2.32 0.00 -1.26 -0.28 107.32 106.62 1wx9 s GLY 25 Ca 0.27 0.95 0.03 0.00 0.00 0.00 0.00 44.72 45.97 1wx9 s GLY 25 CO 0.09 2.93 1.58 0.00 0.00 0.00 0.00 173.10 177.71 1wx9 h ALA 26 N 9.09 1.27 -0.76 3.20 0.00 -1.91 1.49 119.26 131.64 1wx9 h ALA 26 Ca -0.39 0.32 0.15 0.00 0.00 0.00 0.00 54.91 54.99 1wx9 h ALA 26 Cb 1.18 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 19.40 1wx9 h ALA 26 CO 0.94 -0.60 0.28 1.96 0.00 0.00 0.00 179.25 181.84 1wx9 h GLN 27 N 0.03 0.39 -4.85 0.00 1.08 -2.01 -3.36 115.11 106.39 1wx9 h GLN 27 Ca 0.61 -0.02 -0.49 0.00 -1.45 0.00 0.00 58.65 57.30 1wx9 h GLN 27 Cb 1.31 -0.09 0.14 0.00 -0.05 0.00 0.00 27.48 28.79 1wx9 h GLN 27 CO -0.87 0.26 -0.90 -0.12 -0.95 0.00 0.00 178.83 176.25 1wx9 n MET 28 N -5.04 0.00 -3.11 1.46 1.56 0.51 -4.87 117.12 107.63 1wx9 n MET 28 Ca 0.15 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.40 1wx9 n MET 28 Cb 0.44 -0.81 0.01 0.00 2.15 0.00 0.00 33.22 35.01 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 -0.81 5.73 0.10 6.12 4.22 -1.26 -3.81 114.94 125.23 1wx9 s ASN 29 Ca 0.46 -0.35 -0.29 0.00 -2.14 0.00 0.00 52.86 50.55 1wx9 s ASN 29 Cb -0.43 -0.81 -0.11 0.00 1.28 0.00 0.00 41.25 41.19 1wx9 s ASN 29 CO 0.53 -0.69 1.63 0.58 -2.04 0.00 0.00 177.10 177.10 1wx9 h VAL 30 N 0.68 0.35 -0.25 3.54 2.07 0.04 0.03 116.25 122.71 1wx9 h VAL 30 Ca -0.41 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1wx9 h VAL 30 Cb 1.27 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 1wx9 h VAL 30 CO 0.47 0.00 -0.42 0.50 0.02 0.00 0.00 177.57 178.14 1wx9 h LYS 31 N -0.59 -0.32 -0.56 1.57 3.64 -1.74 -0.08 116.57 118.48 1wx9 h LYS 31 Ca 0.01 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1wx9 h LYS 31 Cb 0.57 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.37 1wx9 h LYS 31 CO -0.11 -0.22 -0.53 0.93 -2.27 0.00 0.00 179.45 177.25 1wx9 h GLU 32 N -0.34 -0.27 -0.94 1.90 5.08 -1.81 0.33 114.58 118.53 1wx9 h GLU 32 Ca 0.05 0.02 0.29 0.00 -1.00 0.00 0.00 59.36 58.71 1wx9 h GLU 32 Cb 0.46 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 29.62 1wx9 h GLU 32 CO -0.42 -0.18 0.35 0.35 -1.00 0.00 0.00 179.01 178.11 1wx9 h PHE 33 N -0.28 0.54 -0.36 4.33 3.57 -0.07 0.82 116.94 125.49 1wx9 h PHE 33 Ca 0.12 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1wx9 h PHE 33 Cb 0.56 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1wx9 h PHE 33 CO -0.78 -0.25 0.19 0.87 -2.23 0.00 0.00 178.31 176.11 1wx9 h LYS 34 N 0.20 0.51 -0.35 1.11 1.57 0.14 0.48 116.57 120.24 1wx9 h LYS 34 Ca 0.65 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.36 1wx9 h LYS 34 Cb 1.42 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 1wx9 h LYS 34 CO -0.68 0.44 0.19 0.93 -0.57 0.00 0.00 179.45 179.76 1wx9 h GLU 35 N 0.45 0.48 0.49 3.15 5.08 0.20 1.40 114.58 125.83 1wx9 h GLU 35 Ca 0.13 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1wx9 h GLU 35 Cb 0.08 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1wx9 h GLU 35 CO -0.02 0.35 -0.23 1.25 -1.00 0.00 0.00 179.01 179.36 1wx9 h HIS 36 N 0.49 -0.61 0.00 4.33 2.76 0.08 -3.12 115.15 119.08 1wx9 h HIS 36 Ca 0.13 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 1wx9 h HIS 36 Cb 0.01 0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.17 1wx9 h HIS 36 CO 0.00 -0.38 -0.06 -0.84 -1.30 0.00 0.00 177.93 175.35 1wx9 h ILE 37 N -1.05 0.42 -0.78 6.26 3.07 -0.77 -1.97 117.51 122.68 1wx9 h ILE 37 Ca -0.07 -0.32 0.23 0.00 1.55 0.00 0.00 64.86 66.25 1wx9 h ILE 37 Cb 0.50 1.22 -0.03 0.00 -0.27 0.00 0.00 36.82 38.24 1wx9 h ILE 37 CO 0.11 0.06 0.84 0.00 -1.05 0.00 0.00 178.15 178.12 1wx9 h ALA 38 N 1.94 2.61 0.33 0.16 0.00 0.20 0.41 119.26 124.90 1wx9 h ALA 38 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wx9 h ALA 38 Cb 0.22 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wx9 h ALA 38 CO 0.01 -1.25 -0.16 0.00 0.00 0.00 0.00 179.25 177.85 1wx9 h ALA 39 N 1.05 -0.44 0.67 0.00 0.00 -1.47 0.43 119.26 119.50 1wx9 h ALA 39 Ca 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1wx9 h ALA 39 Cb 2.06 0.17 0.00 0.00 0.00 0.00 0.00 17.79 20.02 1wx9 h ALA 39 CO -0.00 -0.45 -0.35 0.77 0.00 0.00 0.00 179.25 179.21 1wx9 h SER 40 N -1.04 -0.86 -0.23 0.00 0.02 -0.53 -2.45 113.55 108.46 1wx9 h SER 40 Ca -0.05 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1wx9 h SER 40 Cb 0.46 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1wx9 h SER 40 CO 0.07 -0.58 0.16 -0.37 -1.14 0.00 0.00 176.83 174.98 1wx9 h VAL 41 N -0.94 0.92 0.00 2.27 -1.51 -0.79 -3.45 116.25 112.75 1wx9 h VAL 41 Ca -0.09 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1wx9 h VAL 41 Cb 0.73 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1wx9 h VAL 41 CO 0.13 0.01 0.00 -0.24 -1.23 0.00 0.00 177.57 176.24 1wx9 n SER 42 N -4.48 -1.87 -4.87 4.19 2.88 0.15 -4.99 113.62 104.63 1wx9 n SER 42 Ca 0.02 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.20 1wx9 n SER 42 Cb 0.26 -1.11 -0.06 0.00 -0.75 0.00 0.00 64.21 62.56 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 -2.40 5.32 0.35 2.46 1.01 -1.06 -4.94 121.20 121.95 1wx9 s ILE 43 Ca 0.00 0.30 -0.26 0.00 0.00 0.00 0.00 60.65 60.68 1wx9 s ILE 43 Cb 0.00 -3.54 -0.09 0.00 0.01 0.00 0.00 42.46 38.84 1wx9 s ILE 43 CO 0.00 0.48 1.06 -2.16 0.00 0.00 0.00 174.94 174.33 1wx9 s PRO 44 N -1.41 4.36 0.21 2.79 0.04 -1.26 -4.28 135.00 135.45 1wx9 s PRO 44 Ca 0.23 1.62 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 1wx9 s PRO 44 Cb -0.13 -2.81 0.29 0.00 0.04 0.00 0.00 34.50 31.88 1wx9 s PRO 44 CO 0.12 0.01 1.73 0.66 0.04 0.00 0.00 177.00 179.56 1wx9 h SER 45 N 3.05 0.16 -0.02 6.66 4.64 -1.90 0.86 113.55 127.00 1wx9 h SER 45 Ca -0.48 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1wx9 h SER 45 Cb 1.21 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1wx9 h SER 45 CO 0.64 0.09 0.21 1.05 -0.87 0.00 0.00 176.83 177.95 1wx9 h GLU 46 N 0.36 0.00 0.00 4.77 4.11 -1.98 0.26 114.58 122.09 1wx9 h GLU 46 Ca 0.31 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.47 1wx9 h GLU 46 Cb 0.41 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1wx9 h GLU 46 CO -0.34 0.00 -2.25 1.63 0.07 0.00 0.00 179.01 178.12 1wx9 n LYS 47 N -3.02 0.76 -1.64 1.06 5.02 0.19 -4.97 118.16 115.56 1wx9 n LYS 47 Ca -0.02 -0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 55.91 1wx9 n LYS 47 Cb 0.27 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.72 2.85 -0.40 1.97 -0.21 0.24 -2.50 119.66 118.89 1wx9 s GLN 48 Ca -0.09 0.81 0.04 0.00 0.02 0.00 0.00 55.36 56.14 1wx9 s GLN 48 Cb 0.08 -1.99 0.18 0.00 1.00 0.00 0.00 33.01 32.28 1wx9 s GLN 48 CO 0.82 -1.12 0.72 0.50 -2.12 0.00 0.00 175.29 174.09 1wx9 s ARG 49 N -5.12 0.70 0.13 2.91 3.52 -1.08 -4.88 118.95 115.14 1wx9 s ARG 49 Ca 0.58 -0.27 -0.31 0.00 -0.13 0.00 0.00 55.73 55.60 1wx9 s ARG 49 Cb -0.13 0.07 -0.10 0.00 -1.56 0.00 0.00 34.95 33.23 1wx9 s ARG 49 CO 0.54 -1.00 1.73 -0.51 -0.81 0.00 0.00 175.30 175.25 1wx9 s LEU 50 N 1.80 4.38 -0.07 -0.88 1.43 -1.26 -3.00 118.68 121.08 1wx9 s LEU 50 Ca 0.17 2.69 0.01 0.00 -1.03 0.00 0.00 54.13 55.97 1wx9 s LEU 50 Cb -0.02 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.64 1wx9 s LEU 50 CO -0.08 -0.94 -0.06 -0.63 0.23 0.00 0.00 176.35 174.86 1wx9 s ILE 51 N 2.16 0.76 -0.19 -0.59 1.01 0.18 0.47 121.20 125.01 1wx9 s ILE 51 Ca 0.76 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 61.20 1wx9 s ILE 51 Cb -0.45 -0.78 0.01 0.00 0.01 0.00 0.00 42.46 41.25 1wx9 s ILE 51 CO 0.34 0.29 -0.15 -0.47 0.00 0.00 0.00 174.94 174.95 1wx9 s TYR 52 N 1.18 2.83 0.00 3.97 6.14 -0.78 -0.09 117.35 130.60 1wx9 s TYR 52 Ca -0.06 -1.32 0.00 0.00 0.64 0.00 0.00 57.07 56.33 1wx9 s TYR 52 Cb -0.14 -1.96 0.00 0.00 0.42 0.00 0.00 41.96 40.28 1wx9 s TYR 52 CO -0.02 -0.67 0.00 1.04 0.64 0.00 0.00 175.55 176.55 1wx9 n GLN 53 N 4.55 0.00 -0.98 4.97 6.02 -1.26 -2.10 117.38 128.58 1wx9 n GLN 53 Ca -0.20 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1wx9 n GLN 53 Cb 0.51 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.77 1wx9 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wx9 n GLY 54 N 0.00 -0.69 2.81 1.08 0.00 -1.26 -5.14 105.19 101.99 1wx9 n GLY 54 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.34 -0.57 1.61 1.70 -0.89 -5.09 118.95 116.04 1wx9 s ARG 55 Ca 0.00 0.08 -0.27 0.00 -0.47 0.00 0.00 55.73 55.07 1wx9 s ARG 55 Cb 0.00 -0.53 -0.00 0.00 -0.57 0.00 0.00 34.95 33.85 1wx9 s ARG 55 CO -0.00 -0.15 1.62 0.08 -1.08 0.00 0.00 175.30 175.77 1wx9 s VAL 56 N 1.11 3.57 -0.12 4.99 1.01 -1.26 -1.87 120.40 127.83 1wx9 s VAL 56 Ca -0.08 0.43 -0.36 0.00 0.00 0.00 0.00 61.98 61.97 1wx9 s VAL 56 Cb -0.13 -4.20 -0.13 0.00 0.00 0.00 0.00 36.38 31.91 1wx9 s VAL 56 CO -0.02 -1.06 1.78 0.18 0.00 0.00 0.00 175.10 175.99 1wx9 n LEU 57 N 10.90 2.99 -4.52 3.92 4.77 0.18 -4.91 117.00 130.33 1wx9 n LEU 57 Ca 0.16 1.02 -0.29 0.00 -0.03 0.00 0.00 56.01 56.87 1wx9 n LEU 57 Cb 0.50 -1.29 0.24 0.00 -2.33 0.00 0.00 43.42 40.54 1wx9 n LEU 57 CO 0.71 -0.24 0.54 -1.10 -1.33 0.00 0.00 177.39 175.97 1wx9 s GLN 58 N 3.45 -0.65 -0.18 3.23 1.11 -1.26 -4.62 119.66 120.73 1wx9 s GLN 58 Ca 0.93 0.95 -0.17 0.00 0.01 0.00 0.00 55.36 57.07 1wx9 s GLN 58 Cb -0.82 -1.58 -0.14 0.00 -1.01 0.00 0.00 33.01 29.46 1wx9 s GLN 58 CO 0.55 -3.58 0.09 0.38 0.01 0.00 0.00 175.29 172.74 1wx9 h ASP 59 N -2.52 0.00 -0.17 5.90 2.03 -1.95 -3.35 116.42 116.36 1wx9 h ASP 59 Ca -0.59 -0.34 0.05 0.00 -0.73 0.00 0.00 57.03 55.42 1wx9 h ASP 59 Cb 1.32 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.82 1wx9 h ASP 59 CO 0.49 1.23 0.22 0.44 -1.03 0.00 0.00 179.24 180.58 1wx9 h ASP 60 N -1.00 0.00 -4.11 4.15 3.32 -1.98 -2.97 116.42 113.83 1wx9 h ASP 60 Ca -0.23 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.35 1wx9 h ASP 60 Cb 1.02 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.71 1wx9 h ASP 60 CO -0.14 0.00 0.27 -0.54 -1.72 0.00 0.00 179.24 177.11 1wx9 s LYS 61 N -4.55 1.20 0.23 3.56 -0.14 -1.26 -4.79 119.74 113.99 1wx9 s LYS 61 Ca -0.05 0.58 0.11 0.00 -1.36 0.00 0.00 55.97 55.25 1wx9 s LYS 61 Cb 0.15 -1.82 -0.05 0.00 -1.68 0.00 0.00 37.83 34.43 1wx9 s LYS 61 CO 0.51 -2.22 -0.21 0.15 -0.76 0.00 0.00 175.35 172.82 1wx9 s LYS 62 N -5.07 1.54 0.08 1.68 1.02 -1.26 0.38 119.74 118.11 1wx9 s LYS 62 Ca 0.63 -1.62 -0.33 0.00 0.02 0.00 0.00 55.97 54.68 1wx9 s LYS 62 Cb -0.17 -1.69 -0.16 0.00 -0.52 0.00 0.00 37.83 35.29 1wx9 s LYS 62 CO 0.56 0.34 1.61 -0.07 -0.92 0.00 0.00 175.35 176.86 1wx9 h LEU 63 N 2.76 -0.95 -0.85 3.17 -0.00 -1.79 -2.48 115.31 115.17 1wx9 h LEU 63 Ca -0.42 0.06 0.19 0.00 -0.00 0.00 0.00 57.88 57.71 1wx9 h LEU 63 Cb 1.23 0.29 -0.16 0.00 -0.00 0.00 0.00 40.66 42.02 1wx9 h LEU 63 CO 0.55 -0.56 -0.12 -0.61 -0.00 0.00 0.00 178.44 177.70 1wx9 h GLN 64 N -0.87 0.03 -0.70 1.13 4.15 -1.85 0.41 115.11 117.41 1wx9 h GLN 64 Ca -0.06 -0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.49 1wx9 h GLN 64 Cb 0.73 -0.01 -0.13 0.00 0.21 0.00 0.00 27.48 28.28 1wx9 h GLN 64 CO 0.03 0.02 -0.26 1.49 -1.93 0.00 0.00 178.83 178.18 1wx9 h GLU 65 N 0.03 -0.06 -0.05 1.69 4.22 -1.78 0.46 114.58 119.08 1wx9 h GLU 65 Ca 0.44 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.77 1wx9 h GLU 65 Cb 0.76 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1wx9 h GLU 65 CO -0.83 -0.04 -0.52 1.88 -2.18 0.00 0.00 179.01 177.32 1wx9 h TYR 66 N -0.06 0.18 -1.39 0.92 0.05 -0.20 -3.48 116.97 112.99 1wx9 h TYR 66 Ca 0.31 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1wx9 h TYR 66 Cb 0.55 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.25 1wx9 h TYR 66 CO -0.63 0.64 0.00 -1.71 -1.05 0.00 0.00 178.16 175.41 1wx9 n ASN 67 N -3.93 -1.81 -1.82 3.88 2.85 0.16 -4.95 115.26 109.65 1wx9 n ASN 67 Ca -0.02 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.29 1wx9 n ASN 67 Cb 0.55 -0.45 0.11 0.00 1.24 0.00 0.00 39.78 41.22 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 -1.54 2.49 -2.24 3.44 0.24 -1.21 -4.81 118.33 114.70 1wx9 n VAL 68 Ca 0.00 -1.33 -0.43 0.00 -2.04 0.00 0.00 64.34 60.54 1wx9 n VAL 68 Cb 0.45 -0.73 -0.02 0.00 -1.47 0.00 0.00 33.84 32.07 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 -0.48 1.00 0.00 7.63 0.00 -1.25 -2.50 107.32 111.72 1wx9 s GLY 69 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1wx9 s GLY 69 CO 0.06 2.93 0.00 0.61 0.00 0.00 0.00 173.10 176.70 1wx9 n GLY 70 N 5.19 0.67 3.93 0.20 0.00 -0.10 -4.93 105.19 110.15 1wx9 n GLY 70 Ca 0.19 0.00 -0.27 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 -0.32 1.67 -0.22 1.61 -0.14 -1.04 -4.86 119.74 116.43 1wx9 s LYS 71 Ca 0.00 -0.35 -0.04 0.00 -1.36 0.00 0.00 55.97 54.22 1wx9 s LYS 71 Cb 0.00 -2.07 -0.01 0.00 -1.68 0.00 0.00 37.83 34.07 1wx9 s LYS 71 CO 0.00 -1.65 -0.03 0.08 -0.76 0.00 0.00 175.35 172.99 1wx9 s VAL 72 N -3.47 3.49 0.56 3.17 1.01 -1.26 -2.71 120.40 121.20 1wx9 s VAL 72 Ca 0.65 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.24 1wx9 s VAL 72 Cb -0.08 -2.59 0.07 0.00 0.00 0.00 0.00 36.38 33.78 1wx9 s VAL 72 CO 0.48 0.41 0.77 -0.63 0.00 0.00 0.00 175.10 176.13 1wx9 s ILE 73 N 1.48 2.41 -0.38 2.22 1.01 -1.20 -4.88 121.20 121.86 1wx9 s ILE 73 Ca 0.06 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1wx9 s ILE 73 Cb -0.14 -2.52 0.12 0.00 0.01 0.00 0.00 42.46 39.93 1wx9 s ILE 73 CO -0.02 0.00 0.17 -1.00 0.00 0.00 0.00 174.94 174.08 1wx9 s HIS 74 N -2.69 1.90 0.28 3.97 3.76 0.88 -1.99 115.29 121.40 1wx9 s HIS 74 Ca 0.61 -2.13 -0.16 0.00 -0.15 0.00 0.00 55.06 53.22 1wx9 s HIS 74 Cb -0.07 -1.83 -0.09 0.00 1.11 0.00 0.00 32.58 31.71 1wx9 s HIS 74 CO 0.38 -0.83 0.72 -1.17 -0.85 0.00 0.00 174.74 172.99 1wx9 s LEU 75 N 0.95 4.16 0.03 0.89 2.96 -1.25 -0.65 118.68 125.77 1wx9 s LEU 75 Ca 0.14 1.30 0.04 0.00 -0.22 0.00 0.00 54.13 55.39 1wx9 s LEU 75 Cb -0.21 -3.88 -0.02 0.00 0.50 0.00 0.00 46.19 42.58 1wx9 s LEU 75 CO -0.11 -0.12 -0.11 0.68 -1.32 0.00 0.00 176.35 175.37 1wx9 s VAL 76 N -1.81 0.89 -0.19 1.68 -7.23 -1.16 -4.49 120.40 108.08 1wx9 s VAL 76 Ca 0.50 -0.85 -0.03 0.00 -1.81 0.00 0.00 61.98 59.79 1wx9 s VAL 76 Cb -0.12 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.98 1wx9 s VAL 76 CO 0.19 -0.02 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.21 1wx9 s GLU 77 N -0.98 3.47 0.72 4.82 2.12 -1.26 -2.63 118.70 124.96 1wx9 s GLU 77 Ca -0.00 -0.60 -0.16 0.00 0.36 0.00 0.00 54.97 54.57 1wx9 s GLU 77 Cb -0.07 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.36 1wx9 s GLU 77 CO 0.01 -0.02 0.64 0.54 -0.54 0.00 0.00 175.26 175.89 1wx9 n ARG 78 N 4.27 0.35 -4.19 4.30 1.74 -1.04 -5.00 116.66 117.08 1wx9 n ARG 78 Ca -0.18 0.16 -0.27 0.00 -0.77 0.00 0.00 57.85 56.79 1wx9 n ARG 78 Cb 0.52 -1.92 -0.08 0.00 -1.02 0.00 0.00 32.46 29.95 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 -1.89 3.23 -0.10 7.54 0.00 -1.26 -5.08 121.76 124.19 1wx9 s ALA 79 Ca 0.67 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 1wx9 s ALA 79 Cb -0.35 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 1wx9 s ALA 79 CO 0.56 0.52 1.24 -1.25 0.00 0.00 0.00 175.76 176.83 1wx9 s PRO 80 N -2.83 4.30 -0.39 0.00 0.04 -1.26 -4.99 135.00 129.87 1wx9 s PRO 80 Ca 0.27 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.01 1wx9 s PRO 80 Cb -0.10 -3.65 0.13 0.00 0.04 0.00 0.00 34.50 30.93 1wx9 s PRO 80 CO 0.19 -0.56 0.21 0.45 0.04 0.00 0.00 177.00 177.32 1wx9 s SER 81 N 1.72 3.45 0.00 6.66 0.15 -1.26 -5.07 113.70 119.35 1wx9 s SER 81 Ca 0.56 -2.30 0.00 0.00 0.70 0.00 0.00 55.95 54.91 1wx9 s SER 81 Cb -0.24 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 1wx9 s SER 81 CO 0.19 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1wx9 n GLY 82 N 3.95 -0.19 0.09 9.45 0.00 -1.26 -4.97 105.19 112.26 1wx9 n GLY 82 Ca 0.08 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 1wx9 n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx9 h PRO 83 N 0.00 0.15 -4.76 1.61 0.13 -2.06 -3.50 132.00 123.57 1wx9 h PRO 83 Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1wx9 h PRO 83 Cb 0.00 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1wx9 h PRO 83 CO 0.00 0.86 -1.04 0.45 -0.23 0.00 0.00 178.00 178.05 1wx9 n SER 84 N -4.56 -9.12 -4.76 1.44 2.88 -1.26 -4.91 113.62 93.32 1wx9 n SER 84 Ca -0.09 1.87 -0.36 0.00 -1.33 0.00 0.00 58.87 58.96 1wx9 n SER 84 Cb 0.46 -5.29 0.02 0.00 -0.75 0.00 0.00 64.21 58.66 1wx9 n SER 84 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wx9 s SER 85 N -0.61 5.39 0.00 -3.46 0.15 -1.26 -5.21 113.70 108.69 1wx9 s SER 85 Ca -0.02 2.31 0.00 0.00 0.70 0.00 0.00 55.95 58.94 1wx9 s SER 85 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1wx9 s SER 85 CO 0.05 -1.45 0.08 0.61 1.20 0.00 0.00 173.24 173.73