#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 -2.13 -4.77 1.61 3.41 -1.26 -5.11 113.62 105.37 1wx9 n SER 2 Ca 0.00 0.59 -0.34 0.00 -0.26 0.00 0.00 58.87 58.86 1wx9 n SER 2 Cb 0.00 2.12 0.03 0.00 -0.26 0.00 0.00 64.21 66.09 1wx9 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wx9 s SER 3 N -3.14 5.35 0.00 4.04 0.15 -1.26 -4.89 113.70 113.94 1wx9 s SER 3 Ca 0.00 2.07 0.00 0.00 0.70 0.00 0.00 55.95 58.72 1wx9 s SER 3 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1wx9 s SER 3 CO 0.00 -1.47 0.00 0.61 1.20 0.00 0.00 173.24 173.58 1wx9 n GLY 4 N -0.25 2.85 3.24 9.45 0.00 -1.26 -5.16 105.19 114.07 1wx9 n GLY 4 Ca 0.11 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.52 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 2.00 -0.68 -0.39 1.61 0.15 -1.26 -5.04 113.70 110.09 1wx9 s SER 5 Ca 0.00 0.58 -0.15 0.00 0.70 0.00 0.00 55.95 57.09 1wx9 s SER 5 Cb 0.00 1.63 0.02 0.00 -1.71 0.00 0.00 66.02 65.96 1wx9 s SER 5 CO 0.00 -0.13 0.55 -0.24 1.20 0.00 0.00 173.24 174.62 1wx9 n SER 6 N 5.30 -7.49 -3.52 5.45 2.88 -1.26 -5.06 113.62 109.92 1wx9 n SER 6 Ca -0.07 0.50 -0.18 0.00 -1.33 0.00 0.00 58.87 57.80 1wx9 n SER 6 Cb 0.53 -5.05 -0.08 0.00 -0.75 0.00 0.00 64.21 58.85 1wx9 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wx9 s GLY 7 N -2.47 2.15 -0.14 0.46 0.00 -1.26 -4.99 107.32 101.06 1wx9 s GLY 7 Ca 0.23 -1.99 -0.11 0.00 0.00 0.00 0.00 44.72 42.84 1wx9 s GLY 7 CO 0.71 -1.45 0.22 -2.27 0.00 0.00 0.00 173.10 170.30 1wx9 s LEU 8 N -3.33 4.30 0.14 0.66 0.20 -0.33 -4.93 118.68 115.38 1wx9 s LEU 8 Ca 0.40 0.47 -0.14 0.00 0.69 0.00 0.00 54.13 55.55 1wx9 s LEU 8 Cb 0.03 -2.23 -0.07 0.00 -0.43 0.00 0.00 46.19 43.49 1wx9 s LEU 8 CO 0.25 0.23 0.54 -0.70 -0.29 0.00 0.00 176.35 176.38 1wx9 s GLU 9 N -0.13 3.98 -0.10 1.98 2.12 -1.26 -1.00 118.70 124.29 1wx9 s GLU 9 Ca 0.14 0.49 -0.05 0.00 0.36 0.00 0.00 54.97 55.92 1wx9 s GLU 9 Cb -0.13 -2.95 0.05 0.00 0.26 0.00 0.00 34.13 31.36 1wx9 s GLU 9 CO 0.03 0.49 0.22 0.08 -0.54 0.00 0.00 175.26 175.55 1wx9 s VAL 10 N -1.44 -0.10 0.40 3.70 1.01 0.48 0.16 120.40 124.61 1wx9 s VAL 10 Ca 0.37 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.61 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 0.08 0.47 -0.76 0.00 0.00 0.00 175.10 175.07 1wx9 s LEU 11 N 1.46 3.58 -0.27 3.92 1.02 -0.76 0.16 118.68 127.79 1wx9 s LEU 11 Ca -0.07 -0.53 -0.05 0.00 0.02 0.00 0.00 54.13 53.50 1wx9 s LEU 11 Cb -0.11 -2.41 0.15 0.00 0.02 0.00 0.00 46.19 43.84 1wx9 s LEU 11 CO -0.08 -0.66 0.55 -0.69 0.02 0.00 0.00 176.35 175.49 1wx9 s VAL 12 N -2.38 -0.88 -0.29 -1.59 1.01 -0.94 -2.90 120.40 112.44 1wx9 s VAL 12 Ca 0.50 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.41 1wx9 s VAL 12 Cb -0.07 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1wx9 s VAL 12 CO 0.30 -0.01 0.13 -0.75 0.00 0.00 0.00 175.10 174.78 1wx9 s LYS 13 N 2.78 3.50 0.90 2.72 2.20 -0.61 -1.76 119.74 129.47 1wx9 s LYS 13 Ca 0.07 -0.60 -0.13 0.00 -0.36 0.00 0.00 55.97 54.95 1wx9 s LYS 13 Cb -0.14 -3.50 0.17 0.00 -1.51 0.00 0.00 37.83 32.85 1wx9 s LYS 13 CO -0.18 -0.32 1.25 0.95 -0.36 0.00 0.00 175.35 176.69 1wx9 s THR 14 N 1.63 2.03 -1.01 3.43 -4.23 -1.21 -3.51 115.64 112.77 1wx9 s THR 14 Ca 0.05 -0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 60.39 1wx9 s THR 14 Cb -0.16 -2.93 -0.14 0.00 1.34 0.00 0.00 72.50 70.60 1wx9 s THR 14 CO 0.06 0.00 3.05 0.18 -0.54 0.00 0.00 174.62 177.37 1wx9 n LEU 15 N -3.55 7.14 -1.30 4.79 7.99 -1.26 -3.02 117.00 127.79 1wx9 n LEU 15 Ca 0.14 -3.78 -0.01 0.00 -0.01 0.00 0.00 56.01 52.35 1wx9 n LEU 15 Cb 0.60 -1.44 0.01 0.00 -0.11 0.00 0.00 43.42 42.48 1wx9 n LEU 15 CO 0.47 1.77 0.23 -0.67 -1.51 0.00 0.00 177.39 177.69 1wx9 n ASP 16 N 3.28 -0.29 -3.70 -1.43 2.03 -1.26 -5.03 116.55 110.15 1wx9 n ASP 16 Ca 0.63 -0.94 -0.29 0.00 0.52 0.00 0.00 54.79 54.71 1wx9 n ASP 16 Cb 0.44 0.12 0.01 0.00 -0.72 0.00 0.00 41.12 40.97 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 -0.21 -4.88 -3.20 1.67 2.88 -1.17 -4.94 113.62 103.77 1wx9 n SER 17 Ca -0.05 -0.74 -0.20 0.00 -1.33 0.00 0.00 58.87 56.54 1wx9 n SER 17 Cb 0.49 -1.56 -0.07 0.00 -0.75 0.00 0.00 64.21 62.32 1wx9 n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wx9 n GLN 18 N -1.92 0.30 -2.69 -1.46 6.02 -1.26 -4.98 117.38 111.39 1wx9 n GLN 18 Ca -0.26 -2.84 -0.40 0.00 -0.01 0.00 0.00 57.00 53.49 1wx9 n GLN 18 Cb 0.68 -1.60 -0.05 0.00 1.02 0.00 0.00 30.24 30.29 1wx9 n GLN 18 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1wx9 s THR 19 N 0.25 4.03 -0.09 5.09 2.01 -1.25 -3.29 115.64 122.39 1wx9 s THR 19 Ca 0.32 1.96 -0.01 0.00 0.31 0.00 0.00 61.69 64.28 1wx9 s THR 19 Cb 0.03 -4.25 0.03 0.00 0.01 0.00 0.00 72.50 68.32 1wx9 s THR 19 CO -0.16 0.44 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.06 1wx9 s ARG 20 N -0.99 0.82 0.14 4.92 0.52 -0.72 -4.91 118.95 118.72 1wx9 s ARG 20 Ca 0.43 0.00 -0.30 0.00 -0.52 0.00 0.00 55.73 55.34 1wx9 s ARG 20 Cb -0.27 -1.16 -0.06 0.00 0.52 0.00 0.00 34.95 33.98 1wx9 s ARG 20 CO 0.33 -0.31 1.00 0.99 0.02 0.00 0.00 175.30 177.33 1wx9 s THR 21 N 1.91 4.31 -0.00 0.02 2.01 -1.26 -2.21 115.64 120.41 1wx9 s THR 21 Ca 0.05 1.95 0.03 0.00 0.31 0.00 0.00 61.69 64.03 1wx9 s THR 21 Cb -0.13 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 1wx9 s THR 21 CO -0.06 0.32 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.72 1wx9 s PHE 22 N -0.12 0.96 -0.35 4.92 0.08 0.43 -4.94 117.98 118.95 1wx9 s PHE 22 Ca 0.47 -0.20 -0.01 0.00 0.12 0.00 0.00 56.93 57.31 1wx9 s PHE 22 Cb -0.25 -0.61 0.08 0.00 -0.57 0.00 0.00 43.02 41.67 1wx9 s PHE 22 CO 0.31 -0.01 0.10 0.42 -0.10 0.00 0.00 175.22 175.93 1wx9 s ILE 23 N -0.31 3.02 0.26 0.64 -1.09 -1.26 0.18 121.20 122.64 1wx9 s ILE 23 Ca 0.04 -1.81 0.07 0.00 -2.23 0.00 0.00 60.65 56.71 1wx9 s ILE 23 Cb -0.04 -2.95 -0.05 0.00 -1.58 0.00 0.00 42.46 37.83 1wx9 s ILE 23 CO -0.00 -0.43 -0.08 0.68 -1.23 0.00 0.00 174.94 173.87 1wx9 s VAL 24 N 1.15 1.70 -0.05 2.92 -7.23 -0.17 -4.92 120.40 113.81 1wx9 s VAL 24 Ca 0.03 -2.16 -0.30 0.00 -1.81 0.00 0.00 61.98 57.74 1wx9 s VAL 24 Cb -0.21 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1wx9 s VAL 24 CO -0.03 -0.37 1.41 -0.83 -0.31 0.00 0.00 175.10 174.96 1wx9 s GLY 25 N -3.42 1.76 0.37 2.32 0.00 -1.26 -1.19 107.32 105.91 1wx9 s GLY 25 Ca 0.28 0.78 0.20 0.00 0.00 0.00 0.00 44.72 45.98 1wx9 s GLY 25 CO 0.11 2.60 1.63 0.00 0.00 0.00 0.00 173.10 177.44 1wx9 h ALA 26 N 8.25 2.20 -0.65 3.20 0.00 -1.93 1.45 119.26 131.78 1wx9 h ALA 26 Ca -0.35 0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1wx9 h ALA 26 Cb 1.16 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1wx9 h ALA 26 CO 0.93 -0.87 0.35 1.96 0.00 0.00 0.00 179.25 181.62 1wx9 h GLN 27 N 0.17 0.63 -5.26 0.00 4.20 -2.01 -3.36 115.11 109.47 1wx9 h GLN 27 Ca 0.79 -0.04 -0.50 0.00 0.06 0.00 0.00 58.65 58.96 1wx9 h GLN 27 Cb 2.04 -0.14 0.19 0.00 0.30 0.00 0.00 27.48 29.87 1wx9 h GLN 27 CO -0.61 0.41 -1.36 -0.12 -0.67 0.00 0.00 178.83 176.49 1wx9 n MET 28 N -4.81 0.00 -3.40 1.46 1.56 0.50 -4.89 117.12 107.53 1wx9 n MET 28 Ca 0.08 0.00 -0.21 0.00 -0.27 0.00 0.00 57.70 57.30 1wx9 n MET 28 Cb 0.18 -0.88 0.01 0.00 2.15 0.00 0.00 33.22 34.69 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 -0.88 5.03 0.05 6.12 4.22 -1.26 -3.91 114.94 124.31 1wx9 s ASN 29 Ca 0.42 -0.88 -0.29 0.00 -2.14 0.00 0.00 52.86 49.97 1wx9 s ASN 29 Cb -0.28 -0.02 -0.18 0.00 1.28 0.00 0.00 41.25 42.06 1wx9 s ASN 29 CO 0.66 -1.03 1.46 0.58 -2.04 0.00 0.00 177.10 176.73 1wx9 h VAL 30 N 0.61 0.44 -0.39 3.54 2.07 0.20 -0.60 116.25 122.12 1wx9 h VAL 30 Ca -0.36 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.01 1wx9 h VAL 30 Cb 1.29 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 31.49 1wx9 h VAL 30 CO 0.50 0.03 -0.49 0.50 0.02 0.00 0.00 177.57 178.13 1wx9 h LYS 31 N -0.85 -0.36 -0.25 1.57 3.64 -1.75 -0.41 116.57 118.15 1wx9 h LYS 31 Ca -0.07 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1wx9 h LYS 31 Cb 0.60 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.43 1wx9 h LYS 31 CO 0.12 -0.24 -0.44 0.93 -2.27 0.00 0.00 179.45 177.55 1wx9 h GLU 32 N -0.38 -0.42 -1.04 1.90 5.08 -1.84 0.15 114.58 118.03 1wx9 h GLU 32 Ca 0.11 0.03 0.33 0.00 -1.00 0.00 0.00 59.36 58.82 1wx9 h GLU 32 Cb 0.60 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.80 1wx9 h GLU 32 CO -0.58 -0.28 0.61 0.35 -1.00 0.00 0.00 179.01 178.12 1wx9 h PHE 33 N -0.43 0.86 -0.57 4.33 3.57 0.11 1.44 116.94 126.24 1wx9 h PHE 33 Ca 0.10 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 1wx9 h PHE 33 Cb 0.61 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1wx9 h PHE 33 CO -0.55 -0.16 0.01 0.87 -2.23 0.00 0.00 178.31 176.25 1wx9 h LYS 34 N 0.30 0.98 -0.16 1.11 1.57 0.83 -0.39 116.57 120.82 1wx9 h LYS 34 Ca 0.73 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 59.12 1wx9 h LYS 34 Cb 1.77 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 1wx9 h LYS 34 CO -0.56 0.96 -0.35 0.93 -0.57 0.00 0.00 179.45 179.86 1wx9 h GLU 35 N 0.91 0.34 0.47 3.15 5.08 0.29 1.27 114.58 126.08 1wx9 h GLU 35 Ca 0.17 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1wx9 h GLU 35 Cb 0.51 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1wx9 h GLU 35 CO 0.03 0.65 -0.22 1.25 -1.00 0.00 0.00 179.01 179.71 1wx9 h HIS 36 N 0.29 -0.58 0.00 4.33 2.76 -0.18 -3.18 115.15 118.58 1wx9 h HIS 36 Ca 0.03 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 1wx9 h HIS 36 Cb 0.76 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 1wx9 h HIS 36 CO 0.02 -0.28 -0.37 -0.84 -1.30 0.00 0.00 177.93 175.16 1wx9 h ILE 37 N -1.07 1.14 -1.85 6.26 3.07 -1.08 -2.82 117.51 121.15 1wx9 h ILE 37 Ca -0.06 -1.31 0.55 0.00 1.55 0.00 0.00 64.86 65.59 1wx9 h ILE 37 Cb 0.56 1.73 -0.09 0.00 -0.27 0.00 0.00 36.82 38.75 1wx9 h ILE 37 CO 0.11 0.36 1.31 0.00 -1.05 0.00 0.00 178.15 178.87 1wx9 h ALA 38 N 1.63 3.66 0.68 0.16 0.00 0.17 1.00 119.26 126.55 1wx9 h ALA 38 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1wx9 h ALA 38 Cb 0.70 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1wx9 h ALA 38 CO 0.05 -2.25 -0.32 0.00 0.00 0.00 0.00 179.25 176.72 1wx9 h ALA 39 N 1.13 -0.91 0.63 0.00 0.00 -1.60 1.12 119.26 119.64 1wx9 h ALA 39 Ca 0.92 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.59 1wx9 h ALA 39 Cb 3.57 0.35 0.01 0.00 0.00 0.00 0.00 17.79 21.72 1wx9 h ALA 39 CO -0.10 -0.88 -0.30 0.77 0.00 0.00 0.00 179.25 178.74 1wx9 h SER 40 N -1.17 -0.72 -0.52 0.00 0.02 0.68 -2.56 113.55 109.28 1wx9 h SER 40 Ca -0.09 0.02 0.14 0.00 -0.84 0.00 0.00 61.79 61.02 1wx9 h SER 40 Cb 0.72 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 1wx9 h SER 40 CO 0.15 -0.50 0.37 -0.37 -1.14 0.00 0.00 176.83 175.34 1wx9 h VAL 41 N -0.87 0.76 -0.47 2.27 -1.51 -0.84 -3.45 116.25 112.15 1wx9 h VAL 41 Ca -0.09 -0.02 -0.18 0.00 -1.23 0.00 0.00 66.70 65.18 1wx9 h VAL 41 Cb 0.65 0.70 -0.07 0.00 -2.13 0.00 0.00 31.29 30.44 1wx9 h VAL 41 CO 0.14 0.01 -0.17 -1.20 -1.23 0.00 0.00 177.57 175.13 1wx9 n SER 42 N -4.40 -3.98 -4.39 4.19 7.64 0.38 -5.01 113.62 108.05 1wx9 n SER 42 Ca 0.09 0.20 -0.32 0.00 1.01 0.00 0.00 58.87 59.86 1wx9 n SER 42 Cb 0.56 -2.32 -0.14 0.00 -1.01 0.00 0.00 64.21 61.30 1wx9 n SER 42 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wx9 s ILE 43 N -2.33 2.53 0.36 0.44 1.01 -0.72 -4.97 121.20 117.51 1wx9 s ILE 43 Ca 0.00 -1.00 -0.26 0.00 0.00 0.00 0.00 60.65 59.39 1wx9 s ILE 43 Cb 0.00 -1.96 -0.09 0.00 0.01 0.00 0.00 42.46 40.42 1wx9 s ILE 43 CO 0.00 0.54 1.06 -2.16 0.00 0.00 0.00 174.94 174.38 1wx9 s PRO 44 N -0.81 4.32 0.19 2.79 0.04 -1.26 -4.17 135.00 136.09 1wx9 s PRO 44 Ca 0.11 1.61 -0.14 0.00 0.04 0.00 0.00 61.00 62.63 1wx9 s PRO 44 Cb -0.10 -2.76 0.20 0.00 0.04 0.00 0.00 34.50 31.87 1wx9 s PRO 44 CO 0.01 -0.02 1.68 0.66 0.04 0.00 0.00 177.00 179.36 1wx9 h SER 45 N 2.95 -0.23 0.00 6.66 4.64 -1.90 0.95 113.55 126.61 1wx9 h SER 45 Ca -0.48 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1wx9 h SER 45 Cb 1.21 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1wx9 h SER 45 CO 0.64 -0.08 0.24 1.05 -0.87 0.00 0.00 176.83 177.80 1wx9 h GLU 46 N 0.11 0.00 0.00 4.77 4.11 -1.95 0.57 114.58 122.18 1wx9 h GLU 46 Ca 0.26 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.56 1wx9 h GLU 46 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1wx9 h GLU 46 CO -0.43 0.00 -2.02 1.63 0.07 0.00 0.00 179.01 178.25 1wx9 n LYS 47 N -2.75 0.77 -1.92 1.06 5.02 0.26 -4.97 118.16 115.63 1wx9 n LYS 47 Ca -0.02 -0.11 -0.31 0.00 -2.02 0.00 0.00 58.31 55.84 1wx9 n LYS 47 Cb 0.28 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.99 3.47 -0.52 1.97 -0.21 0.25 -3.50 119.66 118.12 1wx9 s GLN 48 Ca -0.08 0.89 0.07 0.00 0.02 0.00 0.00 55.36 56.26 1wx9 s GLN 48 Cb 0.10 -2.06 0.19 0.00 1.00 0.00 0.00 33.01 32.24 1wx9 s GLN 48 CO 0.78 -0.67 0.73 -2.13 -2.12 0.00 0.00 175.29 171.88 1wx9 n ARG 49 N -2.53 0.55 -1.77 2.91 0.63 -1.17 -4.89 116.66 110.39 1wx9 n ARG 49 Ca 0.07 -2.04 -0.40 0.00 -0.92 0.00 0.00 57.85 54.56 1wx9 n ARG 49 Cb 0.54 -1.47 0.01 0.00 0.45 0.00 0.00 32.46 31.99 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 2.86 5.02 -3.76 6.15 4.77 -1.26 -3.73 117.00 127.04 1wx9 n LEU 50 Ca 0.18 1.15 -0.16 0.00 -0.03 0.00 0.00 56.01 57.14 1wx9 n LEU 50 Cb 0.56 -1.61 -0.16 0.00 -2.33 0.00 0.00 43.42 39.88 1wx9 n LEU 50 CO -0.01 -0.07 -0.35 -0.63 -1.33 0.00 0.00 177.39 174.99 1wx9 s ILE 51 N -1.17 -0.01 -0.11 -0.08 1.01 -0.37 -1.54 121.20 118.93 1wx9 s ILE 51 Ca 0.59 0.22 -0.00 0.00 0.00 0.00 0.00 60.65 61.46 1wx9 s ILE 51 Cb -0.46 -0.14 0.02 0.00 0.01 0.00 0.00 42.46 41.90 1wx9 s ILE 51 CO 0.59 0.12 -0.09 -0.47 0.00 0.00 0.00 174.94 175.09 1wx9 s TYR 52 N 1.25 1.56 0.00 3.97 5.04 -0.98 -0.78 117.35 127.40 1wx9 s TYR 52 Ca -0.07 -0.78 0.00 0.00 -2.44 0.00 0.00 57.07 53.78 1wx9 s TYR 52 Cb -0.13 -1.26 0.00 0.00 0.35 0.00 0.00 41.96 40.92 1wx9 s TYR 52 CO -0.03 -0.51 0.00 1.04 -1.34 0.00 0.00 175.55 174.71 1wx9 n GLN 53 N 4.83 0.00 0.00 4.97 1.13 -1.26 -3.04 117.38 124.01 1wx9 n GLN 53 Ca -0.14 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 1wx9 n GLN 53 Cb 0.50 0.00 0.00 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 0.38 3.85 1.08 0.00 -1.26 -5.14 105.19 104.10 1wx9 n GLY 54 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.77 0.63 1.61 3.52 -1.17 -5.06 118.95 122.25 1wx9 s ARG 55 Ca 0.00 0.22 -0.17 0.00 -0.13 0.00 0.00 55.73 55.65 1wx9 s ARG 55 Cb 0.00 -3.22 -0.01 0.00 -1.56 0.00 0.00 34.95 30.16 1wx9 s ARG 55 CO 0.00 0.71 1.16 0.54 -0.81 0.00 0.00 175.30 176.90 1wx9 s VAL 56 N -1.01 2.84 -0.31 7.11 0.11 -1.26 -2.32 120.40 125.55 1wx9 s VAL 56 Ca 0.21 0.46 -0.16 0.00 -2.93 0.00 0.00 61.98 59.55 1wx9 s VAL 56 Cb -0.15 -3.06 -0.02 0.00 -1.53 0.00 0.00 36.38 31.61 1wx9 s VAL 56 CO 0.10 -0.18 0.42 -0.76 -3.33 0.00 0.00 175.10 171.35 1wx9 s LEU 57 N -4.50 4.22 0.25 2.54 1.43 -0.59 -4.89 118.68 117.14 1wx9 s LEU 57 Ca 0.73 0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 53.61 1wx9 s LEU 57 Cb -0.26 -2.46 -0.11 0.00 0.03 0.00 0.00 46.19 43.39 1wx9 s LEU 57 CO 0.37 -0.31 1.52 -1.10 0.23 0.00 0.00 176.35 177.07 1wx9 s GLN 58 N 2.16 4.20 0.07 1.70 1.11 -1.26 -4.77 119.66 122.88 1wx9 s GLN 58 Ca 0.16 2.42 -0.37 0.00 0.01 0.00 0.00 55.36 57.57 1wx9 s GLN 58 Cb -0.16 -3.08 -0.19 0.00 -1.01 0.00 0.00 33.01 28.57 1wx9 s GLN 58 CO 0.11 -0.53 1.57 0.38 0.01 0.00 0.00 175.29 176.83 1wx9 h ASP 59 N 5.28 -1.30 -0.94 5.90 3.04 -1.96 -1.98 116.42 124.46 1wx9 h ASP 59 Ca -0.46 0.08 0.26 0.00 -3.24 0.00 0.00 57.03 53.67 1wx9 h ASP 59 Cb 1.22 0.39 -0.14 0.00 -1.04 0.00 0.00 39.33 39.76 1wx9 h ASP 59 CO 0.81 -0.74 0.44 -0.78 -2.04 0.00 0.00 179.24 176.93 1wx9 h ASP 60 N -1.16 0.36 -3.03 4.15 3.58 -1.97 -1.95 116.42 116.41 1wx9 h ASP 60 Ca -0.09 0.17 -0.46 0.00 0.42 0.00 0.00 57.03 57.07 1wx9 h ASP 60 Cb 0.95 0.15 0.22 0.00 1.72 0.00 0.00 39.33 42.37 1wx9 h ASP 60 CO 0.06 -0.06 -0.40 0.29 -2.88 0.00 0.00 179.24 176.25 1wx9 n LYS 61 N -5.06 -1.82 -4.41 0.28 4.76 -0.74 -4.62 118.16 106.54 1wx9 n LYS 61 Ca 0.26 -0.50 -0.27 0.00 -2.87 0.00 0.00 58.31 54.92 1wx9 n LYS 61 Cb 0.77 -2.00 -0.12 0.00 -1.84 0.00 0.00 35.03 31.84 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 -4.03 1.47 0.08 1.97 1.02 -1.26 -0.22 119.74 118.77 1wx9 s LYS 62 Ca 0.63 -1.47 -0.34 0.00 0.02 0.00 0.00 55.97 54.81 1wx9 s LYS 62 Cb -0.20 -1.82 -0.17 0.00 -0.52 0.00 0.00 37.83 35.12 1wx9 s LYS 62 CO 0.65 0.40 1.53 -0.07 -0.92 0.00 0.00 175.35 176.94 1wx9 h LEU 63 N 3.37 -1.31 -0.88 3.17 -0.00 -1.79 -2.49 115.31 115.38 1wx9 h LEU 63 Ca -0.47 0.10 0.15 0.00 -0.00 0.00 0.00 57.88 57.66 1wx9 h LEU 63 Cb 1.20 0.43 -0.15 0.00 -0.00 0.00 0.00 40.66 42.13 1wx9 h LEU 63 CO 0.46 -0.64 -0.32 -0.61 -0.00 0.00 0.00 178.44 177.33 1wx9 h GLN 64 N -0.98 -0.03 -0.90 1.13 4.15 -1.86 0.53 115.11 117.15 1wx9 h GLN 64 Ca -0.06 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.54 1wx9 h GLN 64 Cb 0.84 0.01 -0.17 0.00 0.21 0.00 0.00 27.48 28.37 1wx9 h GLN 64 CO -0.04 -0.02 -0.21 0.93 -1.93 0.00 0.00 178.83 177.55 1wx9 h GLU 65 N -0.03 0.00 0.00 1.69 4.39 -1.76 1.43 114.58 120.29 1wx9 h GLU 65 Ca 0.35 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.95 1wx9 h GLU 65 Cb 0.61 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1wx9 h GLU 65 CO -0.90 0.00 -0.48 1.88 -1.16 0.00 0.00 179.01 178.34 1wx9 h TYR 66 N 0.00 0.00 -1.01 4.33 0.05 0.18 -3.47 116.97 117.05 1wx9 h TYR 66 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.22 1wx9 h TYR 66 Cb 0.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1wx9 h TYR 66 CO -0.69 0.48 0.00 -1.71 -1.05 0.00 0.00 178.16 175.19 1wx9 n ASN 67 N -3.87 -1.84 -0.95 3.88 5.15 0.49 -4.94 115.26 113.18 1wx9 n ASN 67 Ca -0.01 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.01 1wx9 n ASN 67 Cb 0.52 -0.46 0.18 0.00 -0.53 0.00 0.00 39.78 39.48 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 -2.17 0.95 -1.63 3.44 0.24 -1.21 -4.80 118.33 113.15 1wx9 n VAL 68 Ca 0.00 -0.59 -0.43 0.00 -2.04 0.00 0.00 64.34 61.28 1wx9 n VAL 68 Cb 0.46 -0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.69 1wx9 n VAL 68 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wx9 n GLY 69 N 0.65 1.46 2.93 7.63 0.00 -1.25 -0.49 105.19 116.11 1wx9 n GLY 69 Ca 0.13 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.95 1wx9 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wx9 n GLY 70 N 5.15 0.32 3.93 -0.02 0.00 0.42 -4.91 105.19 110.08 1wx9 n GLY 70 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.87 2.62 -0.35 1.61 -0.14 0.35 -4.82 119.74 118.14 1wx9 s LYS 71 Ca 0.00 -0.25 -0.08 0.00 -1.36 0.00 0.00 55.97 54.28 1wx9 s LYS 71 Cb 0.00 -2.29 0.03 0.00 -1.68 0.00 0.00 37.83 33.89 1wx9 s LYS 71 CO 0.00 -0.85 0.14 0.08 -0.76 0.00 0.00 175.35 173.95 1wx9 s VAL 72 N -3.01 4.09 0.64 3.17 1.01 -1.26 -1.83 120.40 123.20 1wx9 s VAL 72 Ca 0.56 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1wx9 s VAL 72 Cb -0.11 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.05 1wx9 s VAL 72 CO 0.43 -0.17 0.90 -0.63 0.00 0.00 0.00 175.10 175.64 1wx9 s ILE 73 N 1.47 2.44 -0.41 2.22 1.01 -1.14 -4.92 121.20 121.87 1wx9 s ILE 73 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.19 1wx9 s ILE 73 Cb -0.19 -2.95 0.11 0.00 0.01 0.00 0.00 42.46 39.44 1wx9 s ILE 73 CO 0.04 0.00 0.15 -1.00 0.00 0.00 0.00 174.94 174.13 1wx9 s HIS 74 N -3.01 3.27 0.39 3.97 3.76 0.04 -1.58 115.29 122.13 1wx9 s HIS 74 Ca 0.60 -2.95 -0.18 0.00 -0.15 0.00 0.00 55.06 52.38 1wx9 s HIS 74 Cb -0.10 -2.73 -0.10 0.00 1.11 0.00 0.00 32.58 30.77 1wx9 s HIS 74 CO 0.42 -0.85 0.86 -1.17 -0.85 0.00 0.00 174.74 173.15 1wx9 s LEU 75 N 0.45 3.96 0.00 0.89 2.96 -1.23 -1.23 118.68 124.48 1wx9 s LEU 75 Ca 0.14 1.50 -0.03 0.00 -0.22 0.00 0.00 54.13 55.51 1wx9 s LEU 75 Cb -0.22 -4.34 -0.01 0.00 0.50 0.00 0.00 46.19 42.13 1wx9 s LEU 75 CO -0.05 -0.32 0.06 0.68 -1.32 0.00 0.00 176.35 175.39 1wx9 s VAL 76 N -2.14 0.07 -0.17 1.68 -7.23 -1.24 -4.51 120.40 106.86 1wx9 s VAL 76 Ca 0.58 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 60.17 1wx9 s VAL 76 Cb -0.10 -0.28 0.01 0.00 0.56 0.00 0.00 36.38 36.57 1wx9 s VAL 76 CO 0.17 -0.32 -0.18 -0.70 -0.31 0.00 0.00 175.10 173.75 1wx9 s GLU 77 N -1.03 3.08 0.29 4.82 -6.30 -1.26 -3.02 118.70 115.27 1wx9 s GLU 77 Ca -0.11 -0.80 -0.28 0.00 -2.50 0.00 0.00 54.97 51.28 1wx9 s GLU 77 Cb -0.07 -2.59 -0.14 0.00 0.00 0.00 0.00 34.13 31.33 1wx9 s GLU 77 CO 0.00 -0.12 0.90 0.54 0.02 0.00 0.00 175.26 176.60 1wx9 n ARG 78 N 4.40 1.07 -2.89 4.30 1.74 -1.23 -4.95 116.66 119.11 1wx9 n ARG 78 Ca -0.20 0.38 -0.30 0.00 -0.77 0.00 0.00 57.85 56.96 1wx9 n ARG 78 Cb 0.51 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.08 3.39 -1.11 7.54 0.00 -1.26 -4.95 121.76 124.28 1wx9 s ALA 79 Ca 0.60 -0.28 -0.18 0.00 0.00 0.00 0.00 51.96 52.09 1wx9 s ALA 79 Cb -0.73 -2.64 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1wx9 s ALA 79 CO 0.59 -0.02 2.05 -0.35 0.00 0.00 0.00 175.76 178.03 1wx9 n PRO 80 N -1.37 2.16 -2.97 0.00 -0.04 -1.26 -4.41 135.00 127.11 1wx9 n PRO 80 Ca 0.02 -2.25 -0.14 0.00 -0.04 0.00 0.00 63.50 61.09 1wx9 n PRO 80 Cb 0.54 -3.13 0.02 0.00 -0.04 0.00 0.00 33.50 30.88 1wx9 n PRO 80 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wx9 n SER 81 N 7.16 -7.53 -3.65 3.54 7.64 -1.26 -5.04 113.62 114.48 1wx9 n SER 81 Ca 0.50 0.41 -0.02 0.00 1.01 0.00 0.00 58.87 60.78 1wx9 n SER 81 Cb 0.40 -4.74 -0.03 0.00 -1.01 0.00 0.00 64.21 58.83 1wx9 n SER 81 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wx9 s GLY 82 N -2.41 -0.11 0.28 0.23 0.00 -1.26 -5.02 107.32 99.02 1wx9 s GLY 82 Ca 0.27 2.19 0.13 0.00 0.00 0.00 0.00 44.72 47.32 1wx9 s GLY 82 CO 0.79 0.77 1.56 -0.56 0.00 0.00 0.00 173.10 175.66 1wx9 h PRO 83 N 2.00 0.00 0.00 2.90 0.13 -1.97 -3.44 132.00 131.62 1wx9 h PRO 83 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1wx9 h PRO 83 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1wx9 h PRO 83 CO 0.19 0.59 0.00 0.45 -0.23 0.00 0.00 178.00 179.00 1wx9 n SER 84 N -3.53 0.00 -0.02 1.44 2.88 -1.26 -1.82 113.62 111.30 1wx9 n SER 84 Ca -0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1wx9 n SER 84 Cb 0.66 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.10 1wx9 n SER 84 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wx9 n SER 85 N 3.10 1.46 0.00 -3.46 2.88 -1.26 -5.25 113.62 111.08 1wx9 n SER 85 Ca 0.00 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1wx9 n SER 85 Cb 0.00 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 1wx9 n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42