#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 -6.78 -3.54 1.61 2.88 -1.26 -5.01 113.62 101.52 1wx9 n SER 2 Ca 0.00 0.55 -0.14 0.00 -1.33 0.00 0.00 58.87 57.95 1wx9 n SER 2 Cb 0.00 -2.26 -0.05 0.00 -0.75 0.00 0.00 64.21 61.15 1wx9 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wx9 s SER 3 N -1.15 -0.53 -0.35 -3.46 1.04 -1.26 -5.13 113.70 102.86 1wx9 s SER 3 Ca 0.02 0.53 -0.04 0.00 0.48 0.00 0.00 55.95 56.95 1wx9 s SER 3 Cb -0.00 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.63 1wx9 s SER 3 CO 0.19 -0.52 0.10 -0.83 0.98 0.00 0.00 173.24 173.16 1wx9 s GLY 4 N -1.28 1.86 0.07 7.32 0.00 -1.26 -4.72 107.32 109.31 1wx9 s GLY 4 Ca -0.06 -2.03 0.00 0.00 0.00 0.00 0.00 44.72 42.63 1wx9 s GLY 4 CO 0.05 0.84 0.00 -1.26 0.00 0.00 0.00 173.10 172.73 1wx9 n SER 5 N 4.67 -0.62 -3.85 1.64 2.88 -1.26 -5.16 113.62 111.92 1wx9 n SER 5 Ca -0.09 0.51 -0.09 0.00 -1.33 0.00 0.00 58.87 57.86 1wx9 n SER 5 Cb 0.43 0.96 -0.06 0.00 -0.75 0.00 0.00 64.21 64.79 1wx9 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wx9 s SER 6 N -2.00 -0.03 0.00 -3.46 0.01 -1.26 -5.16 113.70 101.79 1wx9 s SER 6 Ca 0.00 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1wx9 s SER 6 Cb 0.00 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1wx9 s SER 6 CO 0.00 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1wx9 n GLY 7 N -0.20 4.30 3.79 3.44 0.00 -1.26 -4.99 105.19 110.27 1wx9 n GLY 7 Ca -0.11 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 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 0.11 0.99 0.20 -0.37 -4.93 118.68 119.03 1wx9 s LEU 8 Ca 0.00 0.64 -0.13 0.00 0.69 0.00 0.00 54.13 55.33 1wx9 s LEU 8 Cb 0.00 -2.38 -0.06 0.00 -0.43 0.00 0.00 46.19 43.32 1wx9 s LEU 8 CO 0.00 0.24 0.49 -0.70 -0.29 0.00 0.00 176.35 176.08 1wx9 s GLU 9 N -0.34 3.91 -0.08 1.98 2.12 -1.26 -0.89 118.70 124.14 1wx9 s GLU 9 Ca 0.18 0.39 -0.04 0.00 0.36 0.00 0.00 54.97 55.87 1wx9 s GLU 9 Cb -0.14 -2.99 0.04 0.00 0.26 0.00 0.00 34.13 31.31 1wx9 s GLU 9 CO 0.07 0.53 0.18 0.08 -0.54 0.00 0.00 175.26 175.58 1wx9 s VAL 10 N -1.40 -0.11 0.20 3.70 1.01 0.42 0.96 120.40 125.19 1wx9 s VAL 10 Ca 0.35 0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.60 1wx9 s VAL 10 Cb -0.15 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1wx9 s VAL 10 CO 0.18 0.09 0.13 -0.76 0.00 0.00 0.00 175.10 174.74 1wx9 s LEU 11 N 1.48 3.69 -0.03 3.92 1.02 -0.80 0.14 118.68 128.10 1wx9 s LEU 11 Ca -0.06 -0.25 -0.01 0.00 0.02 0.00 0.00 54.13 53.83 1wx9 s LEU 11 Cb -0.11 -2.27 0.03 0.00 0.02 0.00 0.00 46.19 43.85 1wx9 s LEU 11 CO -0.07 0.03 0.07 -0.69 0.02 0.00 0.00 176.35 175.71 1wx9 s VAL 12 N -1.92 -0.05 -0.22 -1.59 1.01 -1.06 -1.61 120.40 114.96 1wx9 s VAL 12 Ca 0.31 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 1wx9 s VAL 12 Cb -0.09 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.18 1wx9 s VAL 12 CO 0.23 0.07 -0.11 -0.75 0.00 0.00 0.00 175.10 174.55 1wx9 s LYS 13 N 0.96 3.01 0.41 2.72 2.20 0.81 -2.05 119.74 127.80 1wx9 s LYS 13 Ca -0.08 -0.85 -0.00 0.00 -0.36 0.00 0.00 55.97 54.68 1wx9 s LYS 13 Cb -0.11 -2.84 -0.02 0.00 -1.51 0.00 0.00 37.83 33.35 1wx9 s LYS 13 CO -0.03 -0.29 0.63 0.95 -0.36 0.00 0.00 175.35 176.25 1wx9 s THR 14 N 1.34 4.51 -0.83 3.43 -4.23 -1.16 -2.64 115.64 116.07 1wx9 s THR 14 Ca 0.03 -0.42 -0.07 0.00 -1.18 0.00 0.00 61.69 60.05 1wx9 s THR 14 Cb -0.15 -3.66 -0.06 0.00 1.34 0.00 0.00 72.50 69.97 1wx9 s THR 14 CO -0.07 -0.47 2.00 0.18 -0.54 0.00 0.00 174.62 175.72 1wx9 n LEU 15 N -1.98 4.46 -1.22 4.79 7.99 -1.26 -2.97 117.00 126.81 1wx9 n LEU 15 Ca -0.01 -2.74 -0.05 0.00 -0.01 0.00 0.00 56.01 53.20 1wx9 n LEU 15 Cb 0.57 -1.05 -0.02 0.00 -0.11 0.00 0.00 43.42 42.81 1wx9 n LEU 15 CO 0.48 0.37 0.34 0.47 -1.51 0.00 0.00 177.39 177.55 1wx9 n ASP 16 N 4.60 -0.88 -3.51 -1.43 8.00 -1.26 -5.05 116.55 117.02 1wx9 n ASP 16 Ca 0.41 -1.68 -0.37 0.00 0.71 0.00 0.00 54.79 53.86 1wx9 n ASP 16 Cb 0.15 0.31 0.03 0.00 -0.02 0.00 0.00 41.12 41.59 1wx9 n ASP 16 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wx9 n SER 17 N -0.26 -5.26 -3.40 -2.24 7.64 -1.16 -4.98 113.62 103.96 1wx9 n SER 17 Ca -0.21 -0.28 0.02 0.00 1.01 0.00 0.00 58.87 59.41 1wx9 n SER 17 Cb 0.65 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.26 1wx9 n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wx9 s GLN 18 N -2.74 0.40 -0.10 1.43 -2.07 -1.26 -5.04 119.66 110.28 1wx9 s GLN 18 Ca 0.33 0.92 -0.02 0.00 -1.82 0.00 0.00 55.36 54.78 1wx9 s GLN 18 Cb -0.03 0.55 -0.03 0.00 -1.09 0.00 0.00 33.01 32.40 1wx9 s GLN 18 CO 0.87 -0.22 -0.01 0.99 -1.32 0.00 0.00 175.29 175.60 1wx9 s THR 19 N 2.70 4.20 0.34 3.63 2.01 -1.26 -2.99 115.64 124.26 1wx9 s THR 19 Ca 0.00 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.77 1wx9 s THR 19 Cb -0.09 -2.77 -0.07 0.00 0.01 0.00 0.00 72.50 69.57 1wx9 s THR 19 CO -0.18 0.58 0.02 -0.13 -0.69 0.00 0.00 174.62 174.22 1wx9 s ARG 20 N -0.65 1.73 -0.06 4.92 0.52 -0.87 -4.96 118.95 119.58 1wx9 s ARG 20 Ca 0.10 -1.95 0.03 0.00 -0.52 0.00 0.00 55.73 53.39 1wx9 s ARG 20 Cb -0.12 -1.17 0.01 0.00 0.52 0.00 0.00 34.95 34.19 1wx9 s ARG 20 CO 0.02 -0.09 -0.13 0.99 0.02 0.00 0.00 175.30 176.11 1wx9 s THR 21 N -3.05 1.16 -0.01 0.02 2.01 -1.26 -2.57 115.64 111.93 1wx9 s THR 21 Ca 0.35 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.88 1wx9 s THR 21 Cb 0.08 -1.04 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 1wx9 s THR 21 CO 0.16 0.36 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.94 1wx9 s PHE 22 N 0.53 1.31 -0.37 4.92 0.08 0.37 -4.95 117.98 119.87 1wx9 s PHE 22 Ca -0.12 -0.25 -0.03 0.00 0.12 0.00 0.00 56.93 56.65 1wx9 s PHE 22 Cb -0.15 -0.84 0.08 0.00 -0.57 0.00 0.00 43.02 41.55 1wx9 s PHE 22 CO 0.03 -0.02 0.14 0.42 -0.10 0.00 0.00 175.22 175.69 1wx9 s ILE 23 N -0.34 3.30 0.25 0.64 -1.09 -1.26 0.16 121.20 122.86 1wx9 s ILE 23 Ca 0.06 -1.73 0.06 0.00 -2.23 0.00 0.00 60.65 56.81 1wx9 s ILE 23 Cb -0.06 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.67 1wx9 s ILE 23 CO -0.01 -0.46 -0.08 0.68 -1.23 0.00 0.00 174.94 173.85 1wx9 s VAL 24 N 1.22 1.58 -0.05 2.92 -7.23 -0.07 -4.80 120.40 113.97 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 -0.22 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1wx9 s VAL 24 CO -0.02 -0.40 1.39 -0.83 -0.31 0.00 0.00 175.10 174.93 1wx9 s GLY 25 N -3.38 1.79 0.34 2.32 0.00 -1.26 -1.23 107.32 105.89 1wx9 s GLY 25 Ca 0.27 0.78 0.14 0.00 0.00 0.00 0.00 44.72 45.90 1wx9 s GLY 25 CO 0.10 2.56 1.63 0.00 0.00 0.00 0.00 173.10 177.39 1wx9 h ALA 26 N 8.15 1.86 -0.82 3.20 0.00 -1.93 1.48 119.26 131.19 1wx9 h ALA 26 Ca -0.35 0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1wx9 h ALA 26 Cb 1.16 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 1wx9 h ALA 26 CO 0.92 -0.67 0.47 1.96 0.00 0.00 0.00 179.25 181.94 1wx9 h GLN 27 N 0.19 0.78 -5.09 0.00 4.20 -2.01 -3.32 115.11 109.86 1wx9 h GLN 27 Ca 0.73 -0.05 -0.54 0.00 0.06 0.00 0.00 58.65 58.86 1wx9 h GLN 27 Cb 1.72 -0.18 0.13 0.00 0.30 0.00 0.00 27.48 29.45 1wx9 h GLN 27 CO -0.68 0.52 -0.74 -0.12 -0.67 0.00 0.00 178.83 177.13 1wx9 n MET 28 N -4.73 0.00 -3.86 1.46 1.56 0.51 -4.86 117.12 107.19 1wx9 n MET 28 Ca 0.13 0.00 -0.25 0.00 -0.27 0.00 0.00 57.70 57.32 1wx9 n MET 28 Cb 0.26 -0.85 -0.03 0.00 2.15 0.00 0.00 33.22 34.76 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 6.34 0.19 6.12 4.22 -1.26 -3.62 114.94 126.08 1wx9 s ASN 29 Ca 0.51 0.20 -0.20 0.00 -2.14 0.00 0.00 52.86 51.23 1wx9 s ASN 29 Cb -0.59 -1.92 0.14 0.00 1.28 0.00 0.00 41.25 40.16 1wx9 s ASN 29 CO 0.52 -0.03 1.59 0.58 -2.04 0.00 0.00 177.10 177.72 1wx9 h VAL 30 N 1.41 0.17 -0.34 3.54 2.07 0.75 0.75 116.25 124.60 1wx9 h VAL 30 Ca -0.50 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.07 1wx9 h VAL 30 Cb 1.21 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 1wx9 h VAL 30 CO 0.66 0.00 -0.45 0.50 0.02 0.00 0.00 177.57 178.30 1wx9 h LYS 31 N -0.14 -0.30 -0.44 1.57 3.64 -0.89 0.43 116.57 120.43 1wx9 h LYS 31 Ca 0.25 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.72 1wx9 h LYS 31 Cb 0.55 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.35 1wx9 h LYS 31 CO -0.70 -0.20 -0.45 0.93 -2.27 0.00 0.00 179.45 176.76 1wx9 h GLU 32 N -0.31 -0.31 -0.90 1.90 5.08 -1.38 0.16 114.58 118.82 1wx9 h GLU 32 Ca 0.06 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 58.69 1wx9 h GLU 32 Cb 0.47 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.64 1wx9 h GLU 32 CO -0.49 -0.20 0.25 0.35 -1.00 0.00 0.00 179.01 177.92 1wx9 h PHE 33 N -0.32 0.37 -0.58 4.33 3.57 0.27 0.86 116.94 125.44 1wx9 h PHE 33 Ca 0.14 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1wx9 h PHE 33 Cb 0.58 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 1wx9 h PHE 33 CO -0.66 -0.24 0.34 0.87 -2.23 0.00 0.00 178.31 176.39 1wx9 h LYS 34 N 0.19 0.64 -0.10 1.11 1.57 0.14 0.36 116.57 120.48 1wx9 h LYS 34 Ca 0.58 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 59.22 1wx9 h LYS 34 Cb 1.19 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1wx9 h LYS 34 CO -0.68 0.42 -0.38 0.93 -0.57 0.00 0.00 179.45 179.17 1wx9 h GLU 35 N 0.66 0.21 0.43 3.15 5.08 0.14 1.19 114.58 125.44 1wx9 h GLU 35 Ca 0.24 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1wx9 h GLU 35 Cb 0.07 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1wx9 h GLU 35 CO -0.13 0.57 -0.21 1.25 -1.00 0.00 0.00 179.01 179.49 1wx9 h HIS 36 N 0.18 -0.54 -0.17 4.33 2.76 0.12 -3.21 115.15 118.62 1wx9 h HIS 36 Ca 0.02 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1wx9 h HIS 36 Cb 0.76 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 1wx9 h HIS 36 CO 0.01 -0.22 -0.39 -0.84 -1.30 0.00 0.00 177.93 175.19 1wx9 h ILE 37 N -0.98 1.30 -1.79 6.26 3.07 -0.32 -2.79 117.51 122.25 1wx9 h ILE 37 Ca -0.06 -1.51 0.54 0.00 1.55 0.00 0.00 64.86 65.38 1wx9 h ILE 37 Cb 0.56 1.59 -0.09 0.00 -0.27 0.00 0.00 36.82 38.61 1wx9 h ILE 37 CO 0.10 0.46 1.26 0.00 -1.05 0.00 0.00 178.15 178.92 1wx9 h ALA 38 N 1.26 3.57 0.53 0.16 0.00 0.15 1.06 119.26 126.00 1wx9 h ALA 38 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1wx9 h ALA 38 Cb 0.83 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.80 1wx9 h ALA 38 CO 0.07 -2.16 -0.26 0.00 0.00 0.00 0.00 179.25 176.90 1wx9 h ALA 39 N 1.18 -0.72 0.54 0.00 0.00 -1.54 0.49 119.26 119.21 1wx9 h ALA 39 Ca 0.91 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.60 1wx9 h ALA 39 Cb 3.46 0.28 0.01 0.00 0.00 0.00 0.00 17.79 21.54 1wx9 h ALA 39 CO -0.13 -0.72 -0.26 0.77 0.00 0.00 0.00 179.25 178.92 1wx9 h SER 40 N -1.09 -0.62 -0.75 0.00 0.02 0.70 -2.81 113.55 109.00 1wx9 h SER 40 Ca -0.07 0.02 0.21 0.00 -0.84 0.00 0.00 61.79 61.11 1wx9 h SER 40 Cb 0.61 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 1wx9 h SER 40 CO 0.12 -0.38 0.53 -0.37 -1.14 0.00 0.00 176.83 175.59 1wx9 h VAL 41 N -0.85 0.65 -0.59 2.27 -1.51 -0.15 -3.45 116.25 112.63 1wx9 h VAL 41 Ca -0.07 -0.02 -0.14 0.00 -1.23 0.00 0.00 66.70 65.23 1wx9 h VAL 41 Cb 0.56 0.57 -0.04 0.00 -2.13 0.00 0.00 31.29 30.25 1wx9 h VAL 41 CO 0.12 0.01 -0.15 -0.24 -1.23 0.00 0.00 177.57 176.09 1wx9 n SER 42 N -4.35 -3.32 -4.29 4.19 2.88 0.16 -5.02 113.62 103.87 1wx9 n SER 42 Ca 0.15 0.10 -0.29 0.00 -1.33 0.00 0.00 58.87 57.49 1wx9 n SER 42 Cb 0.77 -1.93 -0.15 0.00 -0.75 0.00 0.00 64.21 62.15 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 1.94 0.35 2.46 1.01 -0.61 -4.98 121.20 119.08 1wx9 s ILE 43 Ca 0.00 -1.14 -0.26 0.00 0.00 0.00 0.00 60.65 59.25 1wx9 s ILE 43 Cb 0.00 -1.63 -0.09 0.00 0.01 0.00 0.00 42.46 40.75 1wx9 s ILE 43 CO 0.00 0.46 1.06 -2.16 0.00 0.00 0.00 174.94 174.31 1wx9 s PRO 44 N -0.79 4.36 0.14 2.79 0.04 -1.26 -4.01 135.00 136.27 1wx9 s PRO 44 Ca 0.10 1.62 -0.26 0.00 0.04 0.00 0.00 61.00 62.50 1wx9 s PRO 44 Cb -0.09 -2.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 1wx9 s PRO 44 CO 0.00 0.01 1.60 0.66 0.04 0.00 0.00 177.00 179.31 1wx9 h SER 45 N 3.04 -1.07 -0.35 6.66 4.64 -1.91 1.02 113.55 125.58 1wx9 h SER 45 Ca -0.48 0.15 0.10 0.00 -0.47 0.00 0.00 61.79 61.10 1wx9 h SER 45 Cb 1.21 0.45 -0.01 0.00 -0.31 0.00 0.00 62.40 63.74 1wx9 h SER 45 CO 0.64 -0.37 0.64 1.05 -0.87 0.00 0.00 176.83 177.92 1wx9 h GLU 46 N -0.41 0.00 0.00 4.77 4.11 -1.96 1.44 114.58 122.53 1wx9 h GLU 46 Ca 0.10 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.24 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 -0.37 0.00 -2.06 1.63 0.07 0.00 0.00 179.01 178.28 1wx9 n LYS 47 N -3.21 0.66 -1.52 1.06 5.02 0.17 -4.95 118.16 115.39 1wx9 n LYS 47 Ca 0.07 0.08 -0.30 0.00 -2.02 0.00 0.00 58.31 56.13 1wx9 n LYS 47 Cb 0.78 -1.62 0.08 0.00 -0.02 0.00 0.00 35.03 34.24 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 -2.67 2.42 -0.44 1.97 -0.21 0.49 -3.76 119.66 117.46 1wx9 s GLN 48 Ca -0.08 0.82 0.02 0.00 0.02 0.00 0.00 55.36 56.14 1wx9 s GLN 48 Cb 0.08 -1.94 0.20 0.00 1.00 0.00 0.00 33.01 32.34 1wx9 s GLN 48 CO 0.83 -1.43 0.85 0.50 -2.12 0.00 0.00 175.29 173.92 1wx9 s ARG 49 N -5.08 0.71 0.35 2.91 3.52 -1.21 -4.89 118.95 115.25 1wx9 s ARG 49 Ca 0.60 -0.62 -0.29 0.00 -0.13 0.00 0.00 55.73 55.29 1wx9 s ARG 49 Cb -0.15 -0.01 -0.11 0.00 -1.56 0.00 0.00 34.95 33.12 1wx9 s ARG 49 CO 0.55 -0.90 1.51 1.28 -0.81 0.00 0.00 175.30 176.93 1wx9 n LEU 50 N 3.09 4.57 -3.80 -0.88 4.77 -1.26 -3.62 117.00 119.86 1wx9 n LEU 50 Ca 0.14 1.20 -0.18 0.00 -0.03 0.00 0.00 56.01 57.14 1wx9 n LEU 50 Cb 0.59 -1.60 -0.16 0.00 -2.33 0.00 0.00 43.42 39.92 1wx9 n LEU 50 CO -0.05 0.12 -0.37 -0.63 -1.33 0.00 0.00 177.39 175.13 1wx9 s ILE 51 N -0.74 0.17 -0.10 -0.08 1.01 0.07 -1.47 121.20 120.06 1wx9 s ILE 51 Ca 0.57 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 61.33 1wx9 s ILE 51 Cb -0.49 -0.28 0.02 0.00 0.01 0.00 0.00 42.46 41.72 1wx9 s ILE 51 CO 0.59 0.16 -0.07 -0.47 0.00 0.00 0.00 174.94 175.14 1wx9 s TYR 52 N 1.17 1.34 0.00 3.97 6.14 -0.82 -1.03 117.35 128.12 1wx9 s TYR 52 Ca -0.08 -0.62 0.00 0.00 0.64 0.00 0.00 57.07 57.02 1wx9 s TYR 52 Cb -0.13 -1.13 0.00 0.00 0.42 0.00 0.00 41.96 41.12 1wx9 s TYR 52 CO -0.02 -0.45 0.00 0.94 0.64 0.00 0.00 175.55 176.66 1wx9 n GLN 53 N 4.81 0.00 0.00 4.97 0.00 -1.26 -3.16 117.38 122.74 1wx9 n GLN 53 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.87 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 0.31 3.90 1.69 0.00 -1.26 -5.14 105.19 104.68 1wx9 n GLY 54 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 3.65 0.29 1.61 3.52 -1.19 -5.06 118.95 121.77 1wx9 s ARG 55 Ca 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 55.73 55.40 1wx9 s ARG 55 Cb 0.00 -2.71 -0.09 0.00 -1.56 0.00 0.00 34.95 30.59 1wx9 s ARG 55 CO 0.00 0.31 0.81 0.54 -0.81 0.00 0.00 175.30 176.16 1wx9 s VAL 56 N -1.91 4.47 -0.06 7.11 0.11 -1.26 -1.94 120.40 126.92 1wx9 s VAL 56 Ca 0.43 1.40 -0.24 0.00 -2.93 0.00 0.00 61.98 60.64 1wx9 s VAL 56 Cb -0.11 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.88 1wx9 s VAL 56 CO 0.27 0.06 0.71 -0.76 -3.33 0.00 0.00 175.10 172.05 1wx9 s LEU 57 N -2.31 4.32 -0.04 2.54 1.43 -0.54 -4.95 118.68 119.13 1wx9 s LEU 57 Ca 0.49 1.21 -0.30 0.00 -1.03 0.00 0.00 54.13 54.50 1wx9 s LEU 57 Cb -0.15 -3.10 -0.05 0.00 0.03 0.00 0.00 46.19 42.91 1wx9 s LEU 57 CO 0.20 -0.12 1.54 -1.10 0.23 0.00 0.00 176.35 177.10 1wx9 s GLN 58 N 0.80 4.22 0.29 1.70 1.11 -1.26 -4.78 119.66 121.73 1wx9 s GLN 58 Ca 0.38 2.08 0.03 0.00 0.01 0.00 0.00 55.36 57.86 1wx9 s GLN 58 Cb -0.18 -3.80 0.63 0.00 -1.01 0.00 0.00 33.01 28.65 1wx9 s GLN 58 CO 0.19 -0.75 1.80 0.38 0.01 0.00 0.00 175.29 176.92 1wx9 h ASP 59 N 8.78 0.84 0.01 5.90 3.04 -1.94 0.46 116.42 133.51 1wx9 h ASP 59 Ca -0.38 0.07 -0.09 0.00 -3.24 0.00 0.00 57.03 53.40 1wx9 h ASP 59 Cb 1.17 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 39.36 1wx9 h ASP 59 CO 0.94 0.38 -0.24 -0.78 -2.04 0.00 0.00 179.24 177.50 1wx9 h ASP 60 N 0.87 0.38 -3.54 4.15 1.82 -1.96 0.15 116.42 118.29 1wx9 h ASP 60 Ca 0.53 -0.12 -0.44 0.00 -0.39 0.00 0.00 57.03 56.61 1wx9 h ASP 60 Cb 0.67 -0.10 0.19 0.00 0.68 0.00 0.00 39.33 40.76 1wx9 h ASP 60 CO -0.32 0.63 0.10 -0.54 -1.61 0.00 0.00 179.24 177.50 1wx9 s LYS 61 N -4.50 -0.49 0.22 0.28 -0.14 0.16 -4.65 119.74 110.63 1wx9 s LYS 61 Ca -0.06 0.54 0.11 0.00 -1.36 0.00 0.00 55.97 55.20 1wx9 s LYS 61 Cb 0.14 -1.63 -0.05 0.00 -1.68 0.00 0.00 37.83 34.62 1wx9 s LYS 61 CO 0.77 -3.36 -0.17 0.15 -0.76 0.00 0.00 175.35 171.99 1wx9 s LYS 62 N -4.81 1.77 0.07 1.68 1.02 -1.26 0.10 119.74 118.32 1wx9 s LYS 62 Ca 0.67 -1.52 -0.36 0.00 0.02 0.00 0.00 55.97 54.78 1wx9 s LYS 62 Cb -0.20 -1.93 -0.19 0.00 -0.52 0.00 0.00 37.83 34.99 1wx9 s LYS 62 CO 0.60 0.38 1.58 -0.07 -0.92 0.00 0.00 175.35 176.92 1wx9 h LEU 63 N 2.73 -1.20 -0.95 3.17 -0.00 -1.78 -2.63 115.31 114.66 1wx9 h LEU 63 Ca -0.44 0.07 0.19 0.00 -0.00 0.00 0.00 57.88 57.69 1wx9 h LEU 63 Cb 1.23 0.35 -0.18 0.00 -0.00 0.00 0.00 40.66 42.06 1wx9 h LEU 63 CO 0.54 -0.72 -0.24 -0.61 -0.00 0.00 0.00 178.44 177.41 1wx9 h GLN 64 N -1.15 -0.00 -0.85 1.13 4.15 -1.83 0.37 115.11 116.92 1wx9 h GLN 64 Ca -0.10 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.44 1wx9 h GLN 64 Cb 0.93 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.48 1wx9 h GLN 64 CO 0.09 -0.00 -0.43 0.93 -1.93 0.00 0.00 178.83 177.49 1wx9 h GLU 65 N -0.00 -0.07 0.00 1.69 4.39 -1.78 0.89 114.58 119.71 1wx9 h GLU 65 Ca 0.45 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.07 1wx9 h GLU 65 Cb 0.69 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1wx9 h GLU 65 CO -0.97 -0.05 -0.40 1.88 -1.16 0.00 0.00 179.01 178.31 1wx9 h TYR 66 N -0.07 0.00 -1.49 4.33 0.05 -0.32 -3.47 116.97 115.99 1wx9 h TYR 66 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.04 1wx9 h TYR 66 Cb 0.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.29 1wx9 h TYR 66 CO -0.84 0.40 0.00 -1.71 -1.05 0.00 0.00 178.16 174.97 1wx9 n ASN 67 N -4.03 -1.83 -1.87 3.88 2.85 0.31 -4.95 115.26 109.62 1wx9 n ASN 67 Ca -0.02 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.27 1wx9 n ASN 67 Cb 0.44 -0.46 0.09 0.00 1.24 0.00 0.00 39.78 41.09 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 -1.42 2.64 -2.43 3.44 0.24 -1.22 -4.83 118.33 114.76 1wx9 n VAL 68 Ca 0.00 -1.53 -0.43 0.00 -2.04 0.00 0.00 64.34 60.34 1wx9 n VAL 68 Cb 0.46 -0.91 -0.02 0.00 -1.47 0.00 0.00 33.84 31.90 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 -0.43 1.31 0.00 7.63 0.00 -1.25 -2.85 107.32 111.72 1wx9 s GLY 69 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1wx9 s GLY 69 CO 0.04 2.61 0.00 0.61 0.00 0.00 0.00 173.10 176.36 1wx9 n GLY 70 N 4.55 0.43 3.93 0.20 0.00 0.27 -4.91 105.19 109.65 1wx9 n GLY 70 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.65 2.54 -0.33 1.61 -0.14 -1.13 -4.83 119.74 116.82 1wx9 s LYS 71 Ca 0.00 -0.16 -0.08 0.00 -1.36 0.00 0.00 55.97 54.37 1wx9 s LYS 71 Cb 0.00 -2.23 0.02 0.00 -1.68 0.00 0.00 37.83 33.94 1wx9 s LYS 71 CO 0.00 -0.98 0.13 0.08 -0.76 0.00 0.00 175.35 173.83 1wx9 s VAL 72 N -3.11 4.20 0.52 3.17 1.01 -1.26 -1.90 120.40 123.02 1wx9 s VAL 72 Ca 0.57 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1wx9 s VAL 72 Cb -0.11 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1wx9 s VAL 72 CO 0.45 -0.06 0.74 -0.63 0.00 0.00 0.00 175.10 175.59 1wx9 s ILE 73 N 1.51 3.01 -0.35 2.22 1.01 -0.63 -4.92 121.20 123.06 1wx9 s ILE 73 Ca 0.02 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1wx9 s ILE 73 Cb -0.18 -3.12 0.10 0.00 0.01 0.00 0.00 42.46 39.27 1wx9 s ILE 73 CO 0.04 -0.08 0.07 -1.00 0.00 0.00 0.00 174.94 173.97 1wx9 s HIS 74 N -2.69 3.58 0.26 3.97 3.76 -0.20 -0.13 115.29 123.84 1wx9 s HIS 74 Ca 0.55 -2.92 -0.14 0.00 -0.15 0.00 0.00 55.06 52.40 1wx9 s HIS 74 Cb -0.10 -2.83 -0.08 0.00 1.11 0.00 0.00 32.58 30.68 1wx9 s HIS 74 CO 0.38 -0.93 0.65 -1.17 -0.85 0.00 0.00 174.74 172.81 1wx9 s LEU 75 N 0.88 4.16 0.06 0.89 2.96 -1.08 -0.75 118.68 125.80 1wx9 s LEU 75 Ca 0.11 1.14 0.05 0.00 -0.22 0.00 0.00 54.13 55.22 1wx9 s LEU 75 Cb -0.19 -3.79 -0.03 0.00 0.50 0.00 0.00 46.19 42.68 1wx9 s LEU 75 CO -0.09 -0.09 -0.14 0.68 -1.32 0.00 0.00 176.35 175.39 1wx9 s VAL 76 N -1.81 1.08 -0.14 1.68 -7.23 -1.24 -4.38 120.40 108.36 1wx9 s VAL 76 Ca 0.49 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 1wx9 s VAL 76 Cb -0.12 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.82 1wx9 s VAL 76 CO 0.19 -0.17 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.98 1wx9 s GLU 77 N -1.56 2.19 0.38 4.82 2.12 -1.26 -3.35 118.70 122.03 1wx9 s GLU 77 Ca -0.01 -0.52 -0.24 0.00 0.36 0.00 0.00 54.97 54.55 1wx9 s GLU 77 Cb -0.09 -2.01 -0.13 0.00 0.26 0.00 0.00 34.13 32.16 1wx9 s GLU 77 CO 0.02 -0.21 0.76 0.54 -0.54 0.00 0.00 175.26 175.82 1wx9 n ARG 78 N 4.71 0.88 -1.27 4.30 1.74 -1.25 -4.88 116.66 120.89 1wx9 n ARG 78 Ca -0.17 0.31 -0.34 0.00 -0.77 0.00 0.00 57.85 56.88 1wx9 n ARG 78 Cb 0.50 -1.67 0.11 0.00 -1.02 0.00 0.00 32.46 30.39 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 -0.48 0.29 -1.60 7.54 0.00 -1.26 -4.82 120.51 120.18 1wx9 n ALA 79 Ca 0.11 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1wx9 n ALA 79 Cb 0.37 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 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 -2.94 2.19 -0.09 0.00 -0.04 -1.26 -4.52 135.00 128.35 1wx9 n PRO 80 Ca 0.14 -2.33 -0.13 0.00 -0.04 0.00 0.00 63.50 61.14 1wx9 n PRO 80 Cb 0.50 -3.19 -0.06 0.00 -0.04 0.00 0.00 33.50 30.71 1wx9 n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wx9 n SER 81 N 7.68 1.84 -3.41 3.54 2.88 -1.26 -4.89 113.62 120.00 1wx9 n SER 81 Ca 0.50 0.53 -0.19 0.00 -1.33 0.00 0.00 58.87 58.38 1wx9 n SER 81 Cb 0.41 -0.90 -0.10 0.00 -0.75 0.00 0.00 64.21 62.87 1wx9 n SER 81 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wx9 s GLY 82 N -4.56 -0.01 1.08 0.46 0.00 -1.26 -5.15 107.32 97.88 1wx9 s GLY 82 Ca -0.22 -0.61 -0.18 0.00 0.00 0.00 0.00 44.72 43.71 1wx9 s GLY 82 CO 0.38 2.59 1.22 2.56 0.00 0.00 0.00 173.10 179.85 1wx9 s PRO 83 N 2.07 -0.27 0.16 2.90 0.04 -1.26 -5.10 135.00 133.54 1wx9 s PRO 83 Ca 0.11 -0.24 0.04 0.00 0.04 0.00 0.00 61.00 60.96 1wx9 s PRO 83 Cb -0.15 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 1wx9 s PRO 83 CO -0.25 -3.05 -0.08 0.45 0.04 0.00 0.00 177.00 174.11 1wx9 s SER 84 N -4.40 1.82 -0.41 6.66 0.15 -1.26 -5.07 113.70 111.19 1wx9 s SER 84 Ca 0.72 -1.05 -0.27 0.00 0.70 0.00 0.00 55.95 56.06 1wx9 s SER 84 Cb -0.07 -0.01 -0.06 0.00 -1.71 0.00 0.00 66.02 64.17 1wx9 s SER 84 CO 0.54 -0.36 2.33 -0.55 1.20 0.00 0.00 173.24 176.41 1wx9 s SER 85 N -3.20 4.78 0.00 5.45 0.15 -1.26 -5.24 113.70 114.38 1wx9 s SER 85 Ca 0.19 1.32 0.00 0.00 0.70 0.00 0.00 55.95 58.16 1wx9 s SER 85 Cb 0.03 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1wx9 s SER 85 CO 0.02 -2.57 0.00 0.61 1.20 0.00 0.00 173.24 172.50