#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx9 s SER 2 N 0.00 -0.19 -0.26 1.61 0.01 -1.26 -5.13 113.70 108.48 1wx9 s SER 2 Ca 0.00 0.81 -0.07 0.00 1.31 0.00 0.00 55.95 58.01 1wx9 s SER 2 Cb 0.00 0.92 0.13 0.00 0.21 0.00 0.00 66.02 67.28 1wx9 s SER 2 CO 0.00 -0.21 0.54 -0.55 0.41 0.00 0.00 173.24 173.43 1wx9 s SER 3 N 2.06 -0.76 0.00 2.44 0.15 -1.26 -4.34 113.70 111.99 1wx9 s SER 3 Ca -0.04 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1wx9 s SER 3 Cb -0.11 1.86 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 1wx9 s SER 3 CO -0.11 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1wx9 n GLY 4 N 5.42 4.26 3.77 9.45 0.00 -1.26 -5.15 105.19 121.67 1wx9 n GLY 4 Ca -0.08 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 1wx9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wx9 s SER 5 N 0.83 4.75 -0.27 1.61 1.04 -1.26 -4.37 113.70 116.03 1wx9 s SER 5 Ca 0.00 1.94 -0.09 0.00 0.48 0.00 0.00 55.95 58.28 1wx9 s SER 5 Cb 0.00 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.59 1wx9 s SER 5 CO 0.00 -1.87 0.22 -1.20 0.98 0.00 0.00 173.24 171.36 1wx9 n SER 6 N -2.98 -7.27 -4.50 7.02 7.64 -1.26 -5.03 113.62 107.24 1wx9 n SER 6 Ca 0.10 0.75 -0.24 0.00 1.01 0.00 0.00 58.87 60.49 1wx9 n SER 6 Cb 0.52 -3.81 -0.11 0.00 -1.01 0.00 0.00 64.21 59.81 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 -1.63 2.16 -0.14 0.23 0.00 -1.26 -4.98 107.32 101.70 1wx9 s GLY 7 Ca 0.11 -2.10 -0.15 0.00 0.00 0.00 0.00 44.72 42.57 1wx9 s GLY 7 CO 0.58 -1.92 0.36 -2.27 0.00 0.00 0.00 173.10 169.86 1wx9 s LEU 8 N -3.55 4.26 0.22 0.66 0.20 -0.48 -4.93 118.68 115.06 1wx9 s LEU 8 Ca 0.34 0.62 -0.13 0.00 0.69 0.00 0.00 54.13 55.66 1wx9 s LEU 8 Cb 0.08 -2.49 -0.08 0.00 -0.43 0.00 0.00 46.19 43.27 1wx9 s LEU 8 CO 0.16 0.06 0.61 -0.70 -0.29 0.00 0.00 176.35 176.19 1wx9 s GLU 9 N 0.51 3.95 -0.10 1.98 2.12 -1.26 -0.88 118.70 125.02 1wx9 s GLU 9 Ca 0.20 0.49 -0.05 0.00 0.36 0.00 0.00 54.97 55.97 1wx9 s GLU 9 Cb -0.14 -2.71 0.04 0.00 0.26 0.00 0.00 34.13 31.58 1wx9 s GLU 9 CO 0.06 0.34 0.23 0.08 -0.54 0.00 0.00 175.26 175.43 1wx9 s VAL 10 N -1.71 -0.04 0.38 3.70 1.01 0.50 -0.66 120.40 123.58 1wx9 s VAL 10 Ca 0.45 0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.64 1wx9 s VAL 10 Cb -0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1wx9 s VAL 10 CO 0.20 0.05 0.29 -0.76 0.00 0.00 0.00 175.10 174.88 1wx9 s LEU 11 N 1.07 3.39 -0.26 3.92 1.02 -0.95 0.16 118.68 127.04 1wx9 s LEU 11 Ca -0.08 -0.72 -0.16 0.00 0.02 0.00 0.00 54.13 53.19 1wx9 s LEU 11 Cb -0.09 -1.97 0.08 0.00 0.02 0.00 0.00 46.19 44.23 1wx9 s LEU 11 CO -0.07 -0.49 0.65 -0.69 0.02 0.00 0.00 176.35 175.78 1wx9 s VAL 12 N -2.43 -0.00 -0.26 -1.59 1.01 -1.06 -2.79 120.40 113.27 1wx9 s VAL 12 Ca 0.43 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1wx9 s VAL 12 Cb -0.03 -0.95 0.06 0.00 0.00 0.00 0.00 36.38 35.46 1wx9 s VAL 12 CO 0.26 0.00 -0.09 -0.75 0.00 0.00 0.00 175.10 174.52 1wx9 s LYS 13 N 1.50 2.31 0.00 2.72 2.20 -0.85 -1.95 119.74 125.67 1wx9 s LYS 13 Ca -0.09 -1.31 0.00 0.00 -0.36 0.00 0.00 55.97 54.21 1wx9 s LYS 13 Cb -0.05 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 1wx9 s LYS 13 CO -0.17 -0.56 0.00 0.25 -0.36 0.00 0.00 175.35 174.50 1wx9 n THR 14 N 4.48 0.00 -1.69 3.43 -2.24 -1.23 -3.62 114.28 113.40 1wx9 n THR 14 Ca -0.14 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.32 1wx9 n THR 14 Cb 0.43 -1.89 -0.04 0.00 -2.10 0.00 0.00 70.33 66.73 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 6.99 -0.85 3.22 4.32 -1.26 -3.73 117.00 125.68 1wx9 n LEU 15 Ca 0.00 -4.38 -0.03 0.00 -0.02 0.00 0.00 56.01 51.58 1wx9 n LEU 15 Cb 0.00 -1.26 -0.03 0.00 -1.62 0.00 0.00 43.42 40.51 1wx9 n LEU 15 CO 0.00 1.83 0.29 0.47 -1.22 0.00 0.00 177.39 178.76 1wx9 n ASP 16 N 1.00 -0.43 -4.00 -1.43 9.92 -1.26 -5.03 116.55 115.32 1wx9 n ASP 16 Ca 0.53 -1.67 -0.40 0.00 -0.53 0.00 0.00 54.79 52.71 1wx9 n ASP 16 Cb 0.44 0.12 0.01 0.00 -0.64 0.00 0.00 41.12 41.06 1wx9 n ASP 16 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1wx9 n SER 17 N 0.05 -4.18 -3.45 -2.24 7.64 -1.24 -4.94 113.62 105.25 1wx9 n SER 17 Ca -0.14 -1.19 -0.17 0.00 1.01 0.00 0.00 58.87 58.38 1wx9 n SER 17 Cb 0.67 -1.54 -0.12 0.00 -1.01 0.00 0.00 64.21 62.22 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 -6.73 0.24 -0.15 1.43 -2.07 -1.26 -5.04 119.66 106.07 1wx9 s GLN 18 Ca 0.35 0.20 -0.13 0.00 -1.82 0.00 0.00 55.36 53.96 1wx9 s GLN 18 Cb -0.19 -1.00 -0.05 0.00 -1.09 0.00 0.00 33.01 30.68 1wx9 s GLN 18 CO 0.93 -0.71 0.28 0.99 -1.32 0.00 0.00 175.29 175.46 1wx9 s THR 19 N 2.37 5.31 -0.12 3.63 2.01 -1.26 -3.54 115.64 124.04 1wx9 s THR 19 Ca 0.08 0.53 0.03 0.00 0.31 0.00 0.00 61.69 62.64 1wx9 s THR 19 Cb -0.15 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.75 1wx9 s THR 19 CO -0.16 0.41 -0.20 -0.13 -0.69 0.00 0.00 174.62 173.85 1wx9 s ARG 20 N 0.32 2.75 0.12 4.92 0.52 -0.82 -4.92 118.95 121.84 1wx9 s ARG 20 Ca 0.16 -0.76 -0.28 0.00 -0.52 0.00 0.00 55.73 54.33 1wx9 s ARG 20 Cb -0.13 -2.20 -0.07 0.00 0.52 0.00 0.00 34.95 33.08 1wx9 s ARG 20 CO 0.04 0.03 0.87 0.99 0.02 0.00 0.00 175.30 177.25 1wx9 s THR 21 N 0.71 4.49 0.00 0.02 2.01 -1.26 -2.56 115.64 119.04 1wx9 s THR 21 Ca -0.11 1.88 0.04 0.00 0.31 0.00 0.00 61.69 63.81 1wx9 s THR 21 Cb -0.16 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.11 1wx9 s THR 21 CO 0.02 0.39 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.86 1wx9 s PHE 22 N -0.38 1.08 -0.37 4.92 0.08 0.44 -4.94 117.98 118.82 1wx9 s PHE 22 Ca 0.42 -0.23 -0.03 0.00 0.12 0.00 0.00 56.93 57.20 1wx9 s PHE 22 Cb -0.23 -0.69 0.08 0.00 -0.57 0.00 0.00 43.02 41.62 1wx9 s PHE 22 CO 0.27 -0.01 0.13 0.42 -0.10 0.00 0.00 175.22 175.93 1wx9 s ILE 23 N -0.40 3.28 0.25 0.64 -1.09 -1.26 0.19 121.20 122.81 1wx9 s ILE 23 Ca 0.04 -1.72 0.07 0.00 -2.23 0.00 0.00 60.65 56.81 1wx9 s ILE 23 Cb -0.05 -3.08 -0.05 0.00 -1.58 0.00 0.00 42.46 37.69 1wx9 s ILE 23 CO -0.00 -0.44 -0.08 0.68 -1.23 0.00 0.00 174.94 173.86 1wx9 s VAL 24 N 1.22 1.64 -0.08 2.92 -7.23 -0.06 -4.93 120.40 113.86 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 -0.21 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1wx9 s VAL 24 CO -0.02 -0.39 1.36 -0.83 -0.31 0.00 0.00 175.10 174.91 1wx9 s GLY 25 N -3.40 1.75 0.34 2.32 0.00 -1.26 -1.39 107.32 105.69 1wx9 s GLY 25 Ca 0.27 0.69 0.14 0.00 0.00 0.00 0.00 44.72 45.82 1wx9 s GLY 25 CO 0.10 2.56 1.62 0.00 0.00 0.00 0.00 173.10 177.38 1wx9 h ALA 26 N 8.24 1.86 -0.70 3.20 0.00 -1.94 1.48 119.26 131.40 1wx9 h ALA 26 Ca -0.33 0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1wx9 h ALA 26 Cb 1.15 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 1wx9 h ALA 26 CO 0.93 -0.70 0.37 1.96 0.00 0.00 0.00 179.25 181.82 1wx9 h GLN 27 N 0.15 0.65 -5.20 0.00 4.20 -2.01 -3.34 115.11 109.56 1wx9 h GLN 27 Ca 0.74 -0.04 -0.51 0.00 0.06 0.00 0.00 58.65 58.90 1wx9 h GLN 27 Cb 1.76 -0.15 0.17 0.00 0.30 0.00 0.00 27.48 29.57 1wx9 h GLN 27 CO -0.71 0.43 -1.14 -0.12 -0.67 0.00 0.00 178.83 176.62 1wx9 n MET 28 N -4.81 0.00 -3.09 1.46 1.56 0.50 -4.88 117.12 107.87 1wx9 n MET 28 Ca 0.10 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.34 1wx9 n MET 28 Cb 0.22 -0.87 0.02 0.00 2.15 0.00 0.00 33.22 34.74 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 -0.87 5.41 0.08 6.12 4.22 -1.26 -3.78 114.94 124.86 1wx9 s ASN 29 Ca 0.46 -0.60 -0.28 0.00 -2.14 0.00 0.00 52.86 50.30 1wx9 s ASN 29 Cb -0.37 -0.33 -0.16 0.00 1.28 0.00 0.00 41.25 41.67 1wx9 s ASN 29 CO 0.61 -0.94 1.67 0.58 -2.04 0.00 0.00 177.10 176.98 1wx9 h VAL 30 N 0.53 0.61 -0.04 3.54 2.07 0.12 -1.44 116.25 121.64 1wx9 h VAL 30 Ca -0.37 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1wx9 h VAL 30 Cb 1.28 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1wx9 h VAL 30 CO 0.45 0.00 -0.15 0.50 0.02 0.00 0.00 177.57 178.39 1wx9 h LYS 31 N -0.49 -0.15 -0.94 1.57 3.64 -1.67 -0.10 116.57 118.43 1wx9 h LYS 31 Ca -0.04 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1wx9 h LYS 31 Cb 0.40 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.13 1wx9 h LYS 31 CO 0.05 -0.10 -0.54 0.39 -2.27 0.00 0.00 179.45 176.98 1wx9 n GLU 32 N -3.35 -0.40 -0.27 1.90 1.02 -1.20 0.74 120.64 119.08 1wx9 n GLU 32 Ca -0.02 1.42 0.06 0.00 -0.02 0.00 0.00 57.16 58.60 1wx9 n GLU 32 Cb 0.10 -2.09 0.16 0.00 -0.02 0.00 0.00 31.44 29.59 1wx9 n GLU 32 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1wx9 h PHE 33 N 0.00 -0.13 -0.83 -0.32 3.57 -0.68 0.77 116.94 119.33 1wx9 h PHE 33 Ca 0.16 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.82 1wx9 h PHE 33 Cb 0.40 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.24 1wx9 h PHE 33 CO -0.96 -0.28 0.47 0.87 -2.23 0.00 0.00 178.31 176.17 1wx9 h LYS 34 N 0.07 0.75 -0.19 1.11 1.57 0.22 0.38 116.57 120.48 1wx9 h LYS 34 Ca 0.43 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.07 1wx9 h LYS 34 Cb 0.75 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1wx9 h LYS 34 CO -0.73 0.50 -0.27 0.93 -0.57 0.00 0.00 179.45 179.31 1wx9 h GLU 35 N 0.77 0.36 0.38 3.15 5.08 0.17 1.45 114.58 125.95 1wx9 h GLU 35 Ca 0.40 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1wx9 h GLU 35 Cb 0.39 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1wx9 h GLU 35 CO -0.26 0.61 -0.18 1.25 -1.00 0.00 0.00 179.01 179.42 1wx9 h HIS 36 N 0.32 -0.48 -0.18 4.33 2.76 0.20 -3.21 115.15 118.91 1wx9 h HIS 36 Ca 0.05 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 1wx9 h HIS 36 Cb 0.65 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 1wx9 h HIS 36 CO 0.02 -0.15 -0.34 -0.84 -1.30 0.00 0.00 177.93 175.32 1wx9 h ILE 37 N -0.95 1.28 -1.65 6.26 3.07 -0.35 -2.76 117.51 122.41 1wx9 h ILE 37 Ca -0.05 -1.39 0.52 0.00 1.55 0.00 0.00 64.86 65.48 1wx9 h ILE 37 Cb 0.54 1.52 -0.11 0.00 -0.27 0.00 0.00 36.82 38.50 1wx9 h ILE 37 CO 0.09 0.43 1.13 0.00 -1.05 0.00 0.00 178.15 178.74 1wx9 h ALA 38 N 1.34 3.30 0.26 0.16 0.00 0.20 1.53 119.26 126.06 1wx9 h ALA 38 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1wx9 h ALA 38 Cb 0.75 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1wx9 h ALA 38 CO 0.06 -1.93 -0.13 0.00 0.00 0.00 0.00 179.25 177.25 1wx9 h ALA 39 N 1.33 -0.35 0.55 0.00 0.00 -1.55 1.00 119.26 120.24 1wx9 h ALA 39 Ca 0.90 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.62 1wx9 h ALA 39 Cb 3.23 0.14 0.01 0.00 0.00 0.00 0.00 17.79 21.16 1wx9 h ALA 39 CO -0.25 -0.56 -0.27 0.77 0.00 0.00 0.00 179.25 178.94 1wx9 h SER 40 N -0.63 -0.63 -0.20 0.00 0.02 0.18 -2.80 113.55 109.50 1wx9 h SER 40 Ca -0.04 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1wx9 h SER 40 Cb 0.45 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1wx9 h SER 40 CO 0.06 -0.37 0.22 -0.37 -1.14 0.00 0.00 176.83 175.23 1wx9 h VAL 41 N -0.90 0.45 -1.59 2.27 -1.51 -0.52 -3.45 116.25 111.00 1wx9 h VAL 41 Ca -0.08 0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 65.15 1wx9 h VAL 41 Cb 0.57 0.82 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 1wx9 h VAL 41 CO 0.12 0.00 -0.30 -0.24 -1.23 0.00 0.00 177.57 175.92 1wx9 n SER 42 N -3.77 -3.99 -4.19 4.19 2.88 0.33 -5.01 113.62 104.05 1wx9 n SER 42 Ca 0.02 0.03 -0.24 0.00 -1.33 0.00 0.00 58.87 57.35 1wx9 n SER 42 Cb 0.35 -3.11 -0.15 0.00 -0.75 0.00 0.00 64.21 60.55 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 -2.59 1.44 0.35 2.46 1.01 -0.26 -4.98 121.20 118.62 1wx9 s ILE 43 Ca 0.00 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 59.46 1wx9 s ILE 43 Cb 0.00 -1.23 -0.09 0.00 0.01 0.00 0.00 42.46 41.15 1wx9 s ILE 43 CO 0.00 0.28 1.06 -2.16 0.00 0.00 0.00 174.94 174.12 1wx9 s PRO 44 N -0.76 4.36 0.19 2.79 0.04 -1.26 -4.12 135.00 136.25 1wx9 s PRO 44 Ca 0.06 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.59 1wx9 s PRO 44 Cb -0.08 -2.81 0.20 0.00 0.04 0.00 0.00 34.50 31.86 1wx9 s PRO 44 CO 0.00 0.01 1.67 0.66 0.04 0.00 0.00 177.00 179.39 1wx9 h SER 45 N 3.04 -0.28 -0.50 6.66 4.64 -1.90 0.82 113.55 126.03 1wx9 h SER 45 Ca -0.48 0.13 0.14 0.00 -0.47 0.00 0.00 61.79 61.12 1wx9 h SER 45 Cb 1.21 0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.53 1wx9 h SER 45 CO 0.64 -0.10 0.46 1.05 -0.87 0.00 0.00 176.83 178.01 1wx9 h GLU 46 N 0.09 0.00 0.00 4.77 4.11 -1.97 0.63 114.58 122.21 1wx9 h GLU 46 Ca 0.26 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.51 1wx9 h GLU 46 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1wx9 h GLU 46 CO -0.46 0.00 -1.62 1.63 0.07 0.00 0.00 179.01 178.64 1wx9 n LYS 47 N -3.91 0.63 -1.82 1.06 5.02 0.20 -4.93 118.16 114.42 1wx9 n LYS 47 Ca 0.09 0.15 -0.30 0.00 -2.02 0.00 0.00 58.31 56.23 1wx9 n LYS 47 Cb 0.66 -1.74 0.07 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.92 2.43 -0.45 1.97 -0.21 0.23 -1.81 119.66 118.89 1wx9 s GLN 48 Ca -0.04 0.40 0.03 0.00 0.02 0.00 0.00 55.36 55.76 1wx9 s GLN 48 Cb 0.09 -1.98 0.20 0.00 1.00 0.00 0.00 33.01 32.32 1wx9 s GLN 48 CO 0.82 -1.33 0.84 0.50 -2.12 0.00 0.00 175.29 174.00 1wx9 s ARG 49 N -5.38 0.78 0.13 2.91 3.52 -0.94 -4.89 118.95 115.07 1wx9 s ARG 49 Ca 0.60 -0.71 -0.31 0.00 -0.13 0.00 0.00 55.73 55.17 1wx9 s ARG 49 Cb -0.12 -0.02 -0.10 0.00 -1.56 0.00 0.00 34.95 33.15 1wx9 s ARG 49 CO 0.52 -0.98 1.83 -0.51 -0.81 0.00 0.00 175.30 175.35 1wx9 s LEU 50 N 1.04 4.40 -0.08 -0.88 1.43 -1.26 -3.32 118.68 120.01 1wx9 s LEU 50 Ca 0.26 2.77 0.01 0.00 -1.03 0.00 0.00 54.13 56.14 1wx9 s LEU 50 Cb 0.03 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.70 1wx9 s LEU 50 CO -0.07 -1.01 -0.10 -0.63 0.23 0.00 0.00 176.35 174.77 1wx9 s ILE 51 N 2.73 1.04 -0.21 -0.59 1.01 -0.01 -0.39 121.20 124.78 1wx9 s ILE 51 Ca 0.81 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 61.04 1wx9 s ILE 51 Cb -0.46 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1wx9 s ILE 51 CO 0.36 0.35 -0.03 -0.47 0.00 0.00 0.00 174.94 175.15 1wx9 s TYR 52 N 1.06 2.98 0.00 3.97 5.04 -0.23 -0.50 117.35 129.67 1wx9 s TYR 52 Ca -0.07 -0.75 0.00 0.00 -2.44 0.00 0.00 57.07 53.80 1wx9 s TYR 52 Cb -0.15 -2.09 0.00 0.00 0.35 0.00 0.00 41.96 40.08 1wx9 s TYR 52 CO -0.01 -0.43 0.00 1.04 -1.34 0.00 0.00 175.55 174.81 1wx9 n GLN 53 N 4.56 0.00 -1.00 4.97 1.13 -1.26 -1.42 117.38 124.36 1wx9 n GLN 53 Ca -0.18 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.86 1wx9 n GLN 53 Cb 0.51 0.00 -0.01 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 -0.07 2.95 1.08 0.00 -1.26 -5.13 105.19 102.76 1wx9 n GLY 54 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 0.62 -0.61 1.61 0.52 -0.50 -5.10 118.95 115.49 1wx9 s ARG 55 Ca 0.01 -0.19 -0.27 0.00 -0.52 0.00 0.00 55.73 54.75 1wx9 s ARG 55 Cb 0.04 -0.61 0.03 0.00 0.52 0.00 0.00 34.95 34.94 1wx9 s ARG 55 CO -0.01 0.07 1.17 0.54 0.02 0.00 0.00 175.30 177.09 1wx9 s VAL 56 N 0.17 4.02 0.03 3.52 0.11 -1.26 -1.06 120.40 125.93 1wx9 s VAL 56 Ca -0.02 0.66 -0.36 0.00 -2.93 0.00 0.00 61.98 59.34 1wx9 s VAL 56 Cb -0.06 -4.74 -0.15 0.00 -1.53 0.00 0.00 36.38 29.90 1wx9 s VAL 56 CO -0.00 -1.42 1.57 0.18 -3.33 0.00 0.00 175.10 172.09 1wx9 n LEU 57 N 8.47 2.54 -4.75 2.54 4.77 0.48 -4.89 117.00 126.15 1wx9 n LEU 57 Ca 0.06 1.08 -0.41 0.00 -0.03 0.00 0.00 56.01 56.71 1wx9 n LEU 57 Cb 0.49 -1.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.25 1wx9 n LEU 57 CO 0.70 -0.54 0.83 -1.58 -1.33 0.00 0.00 177.39 175.48 1wx9 s GLN 58 N 1.65 4.57 0.10 3.23 -0.44 -1.26 -4.73 119.66 122.77 1wx9 s GLN 58 Ca 0.86 1.85 -0.30 0.00 -2.50 0.00 0.00 55.36 55.27 1wx9 s GLN 58 Cb -0.83 -3.21 -0.12 0.00 -1.64 0.00 0.00 33.01 27.20 1wx9 s GLN 58 CO 0.47 0.07 1.63 0.38 0.50 0.00 0.00 175.29 178.34 1wx9 h ASP 59 N 4.39 -0.84 -0.92 6.67 2.03 -1.93 -1.21 116.42 124.60 1wx9 h ASP 59 Ca -0.46 0.08 0.16 0.00 -0.73 0.00 0.00 57.03 56.08 1wx9 h ASP 59 Cb 1.21 0.29 -0.08 0.00 -0.83 0.00 0.00 39.33 39.92 1wx9 h ASP 59 CO 0.70 -0.44 0.59 -0.78 -1.03 0.00 0.00 179.24 178.28 1wx9 h ASP 60 N -0.65 0.64 -3.79 4.15 1.82 -1.97 -2.26 116.42 114.37 1wx9 h ASP 60 Ca -0.01 0.05 -0.49 0.00 -0.39 0.00 0.00 57.03 56.19 1wx9 h ASP 60 Cb 0.59 -0.07 0.21 0.00 0.68 0.00 0.00 39.33 40.74 1wx9 h ASP 60 CO -0.07 0.29 0.05 0.29 -1.61 0.00 0.00 179.24 178.20 1wx9 n LYS 61 N -4.59 -1.22 -4.35 0.28 4.76 -0.46 -4.60 118.16 107.99 1wx9 n LYS 61 Ca 0.19 -0.31 -0.27 0.00 -2.87 0.00 0.00 58.31 55.05 1wx9 n LYS 61 Cb 0.54 -2.25 -0.11 0.00 -1.84 0.00 0.00 35.03 31.37 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 -4.46 1.80 0.08 1.97 1.02 -1.26 0.97 119.74 119.85 1wx9 s LYS 62 Ca 0.67 -1.37 -0.36 0.00 0.02 0.00 0.00 55.97 54.93 1wx9 s LYS 62 Cb -0.23 -2.02 -0.18 0.00 -0.52 0.00 0.00 37.83 34.88 1wx9 s LYS 62 CO 0.61 0.42 1.57 -0.07 -0.92 0.00 0.00 175.35 176.97 1wx9 h LEU 63 N 3.13 -1.30 -1.16 3.17 -0.00 -1.79 -1.60 115.31 115.76 1wx9 h LEU 63 Ca -0.47 0.09 0.28 0.00 -0.00 0.00 0.00 57.88 57.79 1wx9 h LEU 63 Cb 1.20 0.41 -0.12 0.00 -0.00 0.00 0.00 40.66 42.16 1wx9 h LEU 63 CO 0.51 -0.69 0.64 -0.61 -0.00 0.00 0.00 178.44 178.28 1wx9 h GLN 64 N -1.06 0.41 -0.88 1.13 4.15 -1.84 0.68 115.11 117.70 1wx9 h GLN 64 Ca -0.08 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.42 1wx9 h GLN 64 Cb 0.89 -0.09 -0.08 0.00 0.21 0.00 0.00 27.48 28.42 1wx9 h GLN 64 CO -0.00 0.27 0.52 0.93 -1.93 0.00 0.00 178.83 178.62 1wx9 h GLU 65 N 0.43 0.83 -0.00 1.69 4.39 -1.60 0.25 114.58 120.56 1wx9 h GLU 65 Ca 0.66 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.31 1wx9 h GLU 65 Cb 1.53 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1wx9 h GLU 65 CO -0.44 0.55 -0.17 0.66 -1.16 0.00 0.00 179.01 178.45 1wx9 n TYR 66 N -4.70 0.00 -3.43 4.33 4.01 0.22 -4.93 117.16 112.66 1wx9 n TYR 66 Ca 0.15 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.70 1wx9 n TYR 66 Cb 0.30 -0.35 0.08 0.00 -0.31 0.00 0.00 39.34 39.05 1wx9 n TYR 66 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1wx9 n ASN 67 N -1.38 -4.04 -0.87 7.72 3.02 0.86 -4.87 115.26 115.70 1wx9 n ASN 67 Ca 0.08 -0.54 0.05 0.00 -0.03 0.00 0.00 54.58 54.14 1wx9 n ASN 67 Cb 0.32 -4.79 0.17 0.00 -0.61 0.00 0.00 39.78 34.87 1wx9 n ASN 67 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1wx9 n VAL 68 N -4.38 0.83 -1.67 2.41 0.24 -1.18 -4.82 118.33 109.76 1wx9 n VAL 68 Ca -0.13 -0.55 -0.42 0.00 -2.04 0.00 0.00 64.34 61.19 1wx9 n VAL 68 Cb 0.61 -0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.91 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 0.73 1.82 2.78 7.63 0.00 -1.26 -0.66 105.19 116.23 1wx9 n GLY 69 Ca 0.12 0.80 -0.04 0.00 0.00 0.00 0.00 46.02 46.91 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 4.49 0.42 3.97 -0.02 0.00 0.16 -4.95 105.19 109.26 1wx9 n GLY 70 Ca 0.20 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.07 2.83 -0.32 1.61 -0.14 0.16 -4.90 119.74 116.91 1wx9 s LYS 71 Ca 0.00 -0.76 -0.07 0.00 -1.36 0.00 0.00 55.97 53.78 1wx9 s LYS 71 Cb 0.00 -2.58 0.02 0.00 -1.68 0.00 0.00 37.83 33.59 1wx9 s LYS 71 CO 0.00 -0.41 0.10 0.08 -0.76 0.00 0.00 175.35 174.36 1wx9 s VAL 72 N -2.57 3.98 0.64 3.17 1.01 -1.26 -2.23 120.40 123.14 1wx9 s VAL 72 Ca 0.52 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1wx9 s VAL 72 Cb -0.10 -3.14 0.07 0.00 0.00 0.00 0.00 36.38 33.21 1wx9 s VAL 72 CO 0.37 -0.05 0.90 -0.63 0.00 0.00 0.00 175.10 175.69 1wx9 s ILE 73 N 1.47 2.40 -0.36 2.22 1.01 -1.12 -4.85 121.20 121.97 1wx9 s ILE 73 Ca 0.01 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1wx9 s ILE 73 Cb -0.18 -2.85 0.11 0.00 0.01 0.00 0.00 42.46 39.55 1wx9 s ILE 73 CO 0.03 0.00 0.12 -1.00 0.00 0.00 0.00 174.94 174.09 1wx9 s HIS 74 N -3.00 2.69 0.26 3.97 3.76 0.35 -2.01 115.29 121.31 1wx9 s HIS 74 Ca 0.61 -2.48 -0.18 0.00 -0.15 0.00 0.00 55.06 52.87 1wx9 s HIS 74 Cb -0.09 -2.32 -0.09 0.00 1.11 0.00 0.00 32.58 31.20 1wx9 s HIS 74 CO 0.42 -0.88 0.73 -1.17 -0.85 0.00 0.00 174.74 172.99 1wx9 s LEU 75 N 0.95 4.23 -0.00 0.89 2.96 -1.24 -0.83 118.68 125.64 1wx9 s LEU 75 Ca 0.12 1.36 -0.01 0.00 -0.22 0.00 0.00 54.13 55.38 1wx9 s LEU 75 Cb -0.20 -3.78 -0.00 0.00 0.50 0.00 0.00 46.19 42.71 1wx9 s LEU 75 CO -0.12 -0.06 0.02 0.68 -1.32 0.00 0.00 176.35 175.54 1wx9 s VAL 76 N -1.71 0.03 -0.27 1.68 -7.23 -1.21 -4.54 120.40 107.15 1wx9 s VAL 76 Ca 0.47 -0.22 -0.08 0.00 -1.81 0.00 0.00 61.98 60.35 1wx9 s VAL 76 Cb -0.14 -0.11 -0.02 0.00 0.56 0.00 0.00 36.38 36.68 1wx9 s VAL 76 CO 0.19 -0.12 0.09 -0.70 -0.31 0.00 0.00 175.10 174.25 1wx9 s GLU 77 N -0.36 3.50 0.33 4.82 2.12 -1.26 -2.22 118.70 125.63 1wx9 s GLU 77 Ca -0.04 -0.58 -0.28 0.00 0.36 0.00 0.00 54.97 54.42 1wx9 s GLU 77 Cb -0.03 -3.38 -0.10 0.00 0.26 0.00 0.00 34.13 30.88 1wx9 s GLU 77 CO -0.00 -0.27 1.22 -0.98 -0.54 0.00 0.00 175.26 174.68 1wx9 s ARG 78 N 1.60 4.40 0.17 4.30 1.04 -0.75 -5.04 118.95 124.67 1wx9 s ARG 78 Ca 0.05 2.02 0.06 0.00 -1.04 0.00 0.00 55.73 56.83 1wx9 s ARG 78 Cb -0.16 -3.05 -0.04 0.00 -2.04 0.00 0.00 34.95 29.66 1wx9 s ARG 78 CO 0.04 -0.08 -0.13 0.00 -0.04 0.00 0.00 175.30 175.10 1wx9 s ALA 79 N -1.19 1.75 -0.08 7.88 0.00 -1.26 -4.99 121.76 123.87 1wx9 s ALA 79 Ca 0.49 -1.56 -0.27 0.00 0.00 0.00 0.00 51.96 50.61 1wx9 s ALA 79 Cb -0.36 -0.03 -0.23 0.00 0.00 0.00 0.00 23.12 22.51 1wx9 s ALA 79 CO 0.47 0.00 0.99 -1.00 0.00 0.00 0.00 175.76 176.22 1wx9 h PRO 80 N 2.72 -0.01 0.00 0.00 0.13 -2.04 -3.47 132.00 129.33 1wx9 h PRO 80 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1wx9 h PRO 80 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wx9 h PRO 80 CO 0.62 0.71 0.00 0.45 -0.23 0.00 0.00 178.00 179.55 1wx9 n SER 81 N -4.74 0.00 -4.34 1.44 2.88 -1.26 -5.15 113.62 102.45 1wx9 n SER 81 Ca -0.09 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.21 1wx9 n SER 81 Cb 0.36 0.20 -0.12 0.00 -0.75 0.00 0.00 64.21 63.90 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 -2.50 1.42 -0.15 0.46 0.00 -1.26 -5.11 107.32 100.18 1wx9 s GLY 82 Ca 0.00 -1.44 -0.29 0.00 0.00 0.00 0.00 44.72 42.99 1wx9 s GLY 82 CO 0.00 -1.46 1.27 2.56 0.00 0.00 0.00 173.10 175.47 1wx9 s PRO 83 N -2.42 4.24 0.12 2.90 0.04 -1.26 -4.84 135.00 133.79 1wx9 s PRO 83 Ca 0.13 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1wx9 s PRO 83 Cb -0.08 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1wx9 s PRO 83 CO 0.06 -0.68 0.00 0.45 0.04 0.00 0.00 177.00 176.87 1wx9 n SER 84 N 6.46 0.51 -3.47 6.66 2.88 -1.26 -5.05 113.62 120.34 1wx9 n SER 84 Ca 0.14 0.19 -0.20 0.00 -1.33 0.00 0.00 58.87 57.66 1wx9 n SER 84 Cb 0.45 -0.07 -0.12 0.00 -0.75 0.00 0.00 64.21 63.72 1wx9 n SER 84 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wx9 s SER 85 N -5.41 1.97 0.00 -3.46 1.04 -1.26 -5.32 113.70 101.27 1wx9 s SER 85 Ca 0.00 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1wx9 s SER 85 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1wx9 s SER 85 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45