#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 -0.69 -0.29 1.61 0.15 -1.26 -5.16 113.70 108.06 1wx9 s SER 2 Ca 0.00 1.06 -0.13 0.00 0.70 0.00 0.00 55.95 57.59 1wx9 s SER 2 Cb 0.00 1.00 0.11 0.00 -1.71 0.00 0.00 66.02 65.42 1wx9 s SER 2 CO 0.00 -0.42 0.68 -0.55 1.20 0.00 0.00 173.24 174.15 1wx9 s SER 3 N -0.39 -1.05 -0.08 5.45 0.15 -1.26 -5.17 113.70 111.34 1wx9 s SER 3 Ca -0.05 1.53 -0.29 0.00 0.70 0.00 0.00 55.95 57.84 1wx9 s SER 3 Cb -0.03 1.92 0.07 0.00 -1.71 0.00 0.00 66.02 66.27 1wx9 s SER 3 CO 0.05 -0.22 0.66 -0.83 1.20 0.00 0.00 173.24 174.10 1wx9 s GLY 4 N 2.38 -0.55 0.28 9.45 0.00 -1.26 -5.06 107.32 112.56 1wx9 s GLY 4 Ca -0.08 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.02 1wx9 s GLY 4 CO -0.19 1.04 0.00 1.44 0.00 0.00 0.00 173.10 175.38 1wx9 n SER 5 N 1.22 -2.48 -3.62 1.64 7.64 -1.26 -5.03 113.62 111.73 1wx9 n SER 5 Ca -0.18 0.59 -0.27 0.00 1.01 0.00 0.00 58.87 60.02 1wx9 n SER 5 Cb 0.57 2.48 -0.11 0.00 -1.01 0.00 0.00 64.21 66.14 1wx9 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wx9 n SER 6 N -3.08 1.58 -4.07 6.43 2.88 -1.26 -5.09 113.62 111.01 1wx9 n SER 6 Ca 0.00 -2.88 -0.24 0.00 -1.33 0.00 0.00 58.87 54.41 1wx9 n SER 6 Cb 0.00 -0.67 -0.08 0.00 -0.75 0.00 0.00 64.21 62.71 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 -0.97 2.50 -0.08 0.46 0.00 -1.26 -5.00 107.32 102.97 1wx9 s GLY 7 Ca 0.30 -1.40 -0.18 0.00 0.00 0.00 0.00 44.72 43.44 1wx9 s GLY 7 CO -0.16 -1.78 0.49 -2.27 0.00 0.00 0.00 173.10 169.37 1wx9 s LEU 8 N -3.56 4.34 0.16 0.66 0.20 -0.44 -4.91 118.68 115.13 1wx9 s LEU 8 Ca 0.27 0.90 -0.09 0.00 0.69 0.00 0.00 54.13 55.90 1wx9 s LEU 8 Cb 0.03 -2.72 -0.06 0.00 -0.43 0.00 0.00 46.19 43.01 1wx9 s LEU 8 CO 0.16 0.08 0.47 -0.70 -0.29 0.00 0.00 176.35 176.06 1wx9 s GLU 9 N 0.18 3.77 -0.13 1.98 2.12 -1.26 -0.62 118.70 124.75 1wx9 s GLU 9 Ca 0.26 0.19 -0.06 0.00 0.36 0.00 0.00 54.97 55.72 1wx9 s GLU 9 Cb -0.16 -2.81 0.05 0.00 0.26 0.00 0.00 34.13 31.47 1wx9 s GLU 9 CO 0.12 0.43 0.29 0.08 -0.54 0.00 0.00 175.26 175.64 1wx9 s VAL 10 N -1.64 -0.11 0.41 3.70 1.01 0.51 0.79 120.40 125.07 1wx9 s VAL 10 Ca 0.41 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.62 1wx9 s VAL 10 Cb -0.13 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1wx9 s VAL 10 CO 0.21 0.06 0.52 -0.76 0.00 0.00 0.00 175.10 175.13 1wx9 s LEU 11 N 1.49 3.65 -0.22 3.92 1.02 -0.78 0.15 118.68 127.91 1wx9 s LEU 11 Ca -0.08 -0.45 -0.06 0.00 0.02 0.00 0.00 54.13 53.57 1wx9 s LEU 11 Cb -0.10 -2.56 0.11 0.00 0.02 0.00 0.00 46.19 43.65 1wx9 s LEU 11 CO -0.10 -0.69 0.43 -0.69 0.02 0.00 0.00 176.35 175.32 1wx9 s VAL 12 N -2.35 -0.68 -0.40 -1.59 1.01 -0.92 -2.94 120.40 112.53 1wx9 s VAL 12 Ca 0.52 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.51 1wx9 s VAL 12 Cb -0.09 -0.73 0.07 0.00 0.00 0.00 0.00 36.38 35.63 1wx9 s VAL 12 CO 0.32 0.02 0.23 -0.75 0.00 0.00 0.00 175.10 174.92 1wx9 s LYS 13 N 2.63 2.61 0.00 2.72 2.20 -0.55 -1.96 119.74 127.39 1wx9 s LYS 13 Ca 0.02 -1.40 0.00 0.00 -0.36 0.00 0.00 55.97 54.24 1wx9 s LYS 13 Cb -0.13 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 1wx9 s LYS 13 CO -0.14 -0.90 0.00 0.25 -0.36 0.00 0.00 175.35 174.20 1wx9 n THR 14 N 4.90 0.00 -2.11 3.43 -2.24 -1.23 -3.98 114.28 113.06 1wx9 n THR 14 Ca -0.10 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.30 1wx9 n THR 14 Cb 0.43 -1.35 0.01 0.00 -2.10 0.00 0.00 70.33 67.32 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 7.40 -1.35 3.22 4.32 -1.26 -3.98 117.00 125.35 1wx9 n LEU 15 Ca 0.00 -4.90 -0.01 0.00 -0.02 0.00 0.00 56.01 51.07 1wx9 n LEU 15 Cb 0.00 -1.19 0.01 0.00 -1.62 0.00 0.00 43.42 40.62 1wx9 n LEU 15 CO 0.00 1.92 0.26 -0.67 -1.22 0.00 0.00 177.39 177.68 1wx9 n ASP 16 N 0.35 -0.39 -3.71 -1.43 -0.08 -1.26 -5.03 116.55 104.99 1wx9 n ASP 16 Ca 0.52 -1.06 -0.29 0.00 -1.51 0.00 0.00 54.79 52.45 1wx9 n ASP 16 Cb 0.30 0.16 0.01 0.00 2.34 0.00 0.00 41.12 43.94 1wx9 n ASP 16 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1wx9 n SER 17 N -0.28 -5.03 -3.31 1.67 3.41 -1.26 -4.95 113.62 103.88 1wx9 n SER 17 Ca -0.07 -0.72 -0.22 0.00 -0.26 0.00 0.00 58.87 57.60 1wx9 n SER 17 Cb 0.52 -1.64 -0.08 0.00 -0.26 0.00 0.00 64.21 62.75 1wx9 n SER 17 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1wx9 s GLN 18 N -4.17 0.80 -0.12 4.33 -0.21 -1.26 -5.01 119.66 114.02 1wx9 s GLN 18 Ca 0.12 -1.53 -0.27 0.00 0.02 0.00 0.00 55.36 53.71 1wx9 s GLN 18 Cb -0.01 -1.04 -0.02 0.00 1.00 0.00 0.00 33.01 32.94 1wx9 s GLN 18 CO 0.89 -1.30 0.87 0.99 -2.12 0.00 0.00 175.29 174.62 1wx9 s THR 19 N 0.68 4.88 -0.15 -0.19 2.01 -1.25 -3.55 115.64 118.07 1wx9 s THR 19 Ca 0.26 1.76 0.01 0.00 0.31 0.00 0.00 61.69 64.02 1wx9 s THR 19 Cb -0.06 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.28 1wx9 s THR 19 CO -0.10 0.07 -0.16 -0.13 -0.69 0.00 0.00 174.62 173.61 1wx9 s ARG 20 N 1.78 2.53 0.20 4.92 0.52 -0.83 -4.89 118.95 123.18 1wx9 s ARG 20 Ca 0.42 -0.65 -0.30 0.00 -0.52 0.00 0.00 55.73 54.68 1wx9 s ARG 20 Cb -0.18 -2.24 -0.08 0.00 0.52 0.00 0.00 34.95 32.98 1wx9 s ARG 20 CO 0.16 -0.20 0.97 0.99 0.02 0.00 0.00 175.30 177.25 1wx9 s THR 21 N 1.34 4.13 -0.02 0.02 2.01 -1.26 -2.16 115.64 119.69 1wx9 s THR 21 Ca 0.03 1.99 0.02 0.00 0.31 0.00 0.00 61.69 64.04 1wx9 s THR 21 Cb -0.13 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.11 1wx9 s THR 21 CO -0.10 0.41 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.81 1wx9 s PHE 22 N -0.74 0.76 -0.39 4.92 0.08 0.39 -4.94 117.98 118.07 1wx9 s PHE 22 Ca 0.44 -0.18 -0.06 0.00 0.12 0.00 0.00 56.93 57.25 1wx9 s PHE 22 Cb -0.26 -0.56 0.08 0.00 -0.57 0.00 0.00 43.02 41.71 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 0.21 3.68 0.24 0.64 -1.09 -1.26 0.19 121.20 123.80 1wx9 s ILE 23 Ca -0.03 -1.59 0.06 0.00 -2.23 0.00 0.00 60.65 56.86 1wx9 s ILE 23 Cb -0.08 -3.30 -0.05 0.00 -1.58 0.00 0.00 42.46 37.45 1wx9 s ILE 23 CO 0.00 -0.48 -0.07 0.68 -1.23 0.00 0.00 174.94 173.85 1wx9 s VAL 24 N 1.30 1.45 0.27 2.92 -7.23 0.21 -4.92 120.40 114.41 1wx9 s VAL 24 Ca 0.03 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 57.79 1wx9 s VAL 24 Cb -0.22 -2.26 -0.11 0.00 0.56 0.00 0.00 36.38 34.35 1wx9 s VAL 24 CO -0.00 -0.42 1.54 -0.83 -0.31 0.00 0.00 175.10 175.07 1wx9 s GLY 25 N -3.35 2.17 0.39 2.32 0.00 -1.26 -1.33 107.32 106.25 1wx9 s GLY 25 Ca 0.26 1.48 0.27 0.00 0.00 0.00 0.00 44.72 46.73 1wx9 s GLY 25 CO 0.09 2.46 1.81 0.00 0.00 0.00 0.00 173.10 177.46 1wx9 h ALA 26 N 4.97 1.00 0.00 3.20 0.00 -1.93 0.23 119.26 126.72 1wx9 h ALA 26 Ca -0.47 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 1wx9 h ALA 26 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1wx9 h ALA 26 CO 0.79 0.00 -1.04 1.96 0.00 0.00 0.00 179.25 180.96 1wx9 h GLN 27 N 0.00 0.00 -6.58 0.00 4.20 -2.01 -3.37 115.11 107.35 1wx9 h GLN 27 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1wx9 h GLN 27 Cb 0.05 0.00 0.12 0.00 0.30 0.00 0.00 27.48 27.95 1wx9 h GLN 27 CO 0.00 0.41 0.22 -0.12 -0.67 0.00 0.00 178.83 178.67 1wx9 n MET 28 N -3.04 1.52 -2.45 1.46 1.56 0.79 -4.94 117.12 112.02 1wx9 n MET 28 Ca -0.05 0.54 -0.24 0.00 -0.27 0.00 0.00 57.70 57.68 1wx9 n MET 28 Cb 0.81 -2.00 0.05 0.00 2.15 0.00 0.00 33.22 34.22 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 -0.55 5.15 0.12 6.12 4.22 -1.26 -3.55 114.94 125.18 1wx9 s ASN 29 Ca 0.59 0.28 -0.24 0.00 -2.14 0.00 0.00 52.86 51.35 1wx9 s ASN 29 Cb -0.63 -1.10 -0.07 0.00 1.28 0.00 0.00 41.25 40.73 1wx9 s ASN 29 CO 0.60 -1.30 1.67 0.58 -2.04 0.00 0.00 177.10 176.61 1wx9 h VAL 30 N -0.22 0.60 -0.05 3.54 2.07 0.35 -1.44 116.25 121.10 1wx9 h VAL 30 Ca -0.44 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1wx9 h VAL 30 Cb 1.30 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1wx9 h VAL 30 CO 0.57 0.00 -0.12 0.50 0.02 0.00 0.00 177.57 178.54 1wx9 h LYS 31 N -0.28 -0.10 -0.92 1.57 3.64 -1.53 -0.32 116.57 118.63 1wx9 h LYS 31 Ca 0.05 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.53 1wx9 h LYS 31 Cb 0.34 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.07 1wx9 h LYS 31 CO -0.15 -0.07 -0.51 0.39 -2.27 0.00 0.00 179.45 176.85 1wx9 n GLU 32 N -3.20 -0.37 -0.31 1.90 1.02 -1.14 0.15 120.64 118.69 1wx9 n GLU 32 Ca -0.01 1.40 0.16 0.00 -0.02 0.00 0.00 57.16 58.68 1wx9 n GLU 32 Cb 0.08 -2.06 0.34 0.00 -0.02 0.00 0.00 31.44 29.78 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 0.57 -0.74 -0.32 3.57 -0.56 0.97 116.94 120.42 1wx9 h PHE 33 Ca 0.18 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1wx9 h PHE 33 Cb 0.41 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1wx9 h PHE 33 CO -0.92 -0.16 0.34 0.87 -2.23 0.00 0.00 178.31 176.21 1wx9 h LYS 34 N 0.28 1.08 -0.09 1.11 1.57 0.30 0.74 116.57 121.57 1wx9 h LYS 34 Ca 0.60 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 59.09 1wx9 h LYS 34 Cb 1.24 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1wx9 h LYS 34 CO -0.61 0.86 -0.49 0.93 -0.57 0.00 0.00 179.45 179.56 1wx9 h GLU 35 N 1.05 0.23 0.50 3.15 5.08 0.23 0.81 114.58 125.63 1wx9 h GLU 35 Ca 0.25 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1wx9 h GLU 35 Cb 0.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1wx9 h GLU 35 CO -0.03 0.67 -0.24 1.25 -1.00 0.00 0.00 179.01 179.67 1wx9 h HIS 36 N 0.18 -0.62 -0.12 4.33 2.76 0.11 -3.17 115.15 118.63 1wx9 h HIS 36 Ca 0.01 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.06 1wx9 h HIS 36 Cb 0.94 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 1wx9 h HIS 36 CO 0.02 -0.30 -0.38 -0.84 -1.30 0.00 0.00 177.93 175.12 1wx9 h ILE 37 N -1.02 1.30 -1.80 6.26 3.07 -0.89 -2.77 117.51 121.65 1wx9 h ILE 37 Ca -0.07 -1.45 0.54 0.00 1.55 0.00 0.00 64.86 65.43 1wx9 h ILE 37 Cb 0.60 1.63 -0.09 0.00 -0.27 0.00 0.00 36.82 38.69 1wx9 h ILE 37 CO 0.11 0.43 1.27 0.00 -1.05 0.00 0.00 178.15 178.92 1wx9 h ALA 38 N 1.39 3.59 0.55 0.16 0.00 0.69 1.06 119.26 126.71 1wx9 h ALA 38 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1wx9 h ALA 38 Cb 0.77 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1wx9 h ALA 38 CO 0.06 -2.17 -0.26 0.00 0.00 0.00 0.00 179.25 176.87 1wx9 h ALA 39 N 1.17 -0.74 0.59 0.00 0.00 -1.54 0.97 119.26 119.71 1wx9 h ALA 39 Ca 0.90 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.59 1wx9 h ALA 39 Cb 3.47 0.29 0.01 0.00 0.00 0.00 0.00 17.79 21.55 1wx9 h ALA 39 CO -0.11 -0.76 -0.28 0.77 0.00 0.00 0.00 179.25 178.86 1wx9 h SER 40 N -1.05 -0.67 -0.63 0.00 0.02 0.78 -2.82 113.55 109.18 1wx9 h SER 40 Ca -0.08 0.02 0.15 0.00 -0.84 0.00 0.00 61.79 61.04 1wx9 h SER 40 Cb 0.64 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 1wx9 h SER 40 CO 0.12 -0.43 0.44 -0.37 -1.14 0.00 0.00 176.83 175.45 1wx9 h VAL 41 N -0.89 0.77 -0.35 2.27 -1.51 -0.54 -3.45 116.25 112.56 1wx9 h VAL 41 Ca -0.08 -0.07 -0.09 0.00 -1.23 0.00 0.00 66.70 65.22 1wx9 h VAL 41 Cb 0.61 0.54 -0.03 0.00 -2.13 0.00 0.00 31.29 30.28 1wx9 h VAL 41 CO 0.13 0.04 -0.09 -0.24 -1.23 0.00 0.00 177.57 176.18 1wx9 n SER 42 N -4.43 -3.10 -4.50 4.19 2.88 0.33 -5.02 113.62 103.97 1wx9 n SER 42 Ca 0.12 0.08 -0.32 0.00 -1.33 0.00 0.00 58.87 57.41 1wx9 n SER 42 Cb 0.55 -1.46 -0.12 0.00 -0.75 0.00 0.00 64.21 62.43 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 -2.19 3.14 0.45 2.46 1.01 -0.54 -4.97 121.20 120.56 1wx9 s ILE 43 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 60.65 59.63 1wx9 s ILE 43 Cb 0.00 -2.27 -0.09 0.00 0.01 0.00 0.00 42.46 40.11 1wx9 s ILE 43 CO 0.00 0.51 1.05 -2.16 0.00 0.00 0.00 174.94 174.34 1wx9 s PRO 44 N -0.97 3.97 0.41 2.79 0.04 -1.26 -4.11 135.00 135.86 1wx9 s PRO 44 Ca 0.13 1.44 0.29 0.00 0.04 0.00 0.00 61.00 62.90 1wx9 s PRO 44 Cb -0.11 -2.31 1.37 0.00 0.04 0.00 0.00 34.50 33.50 1wx9 s PRO 44 CO 0.03 -0.30 1.88 0.66 0.04 0.00 0.00 177.00 179.30 1wx9 h SER 45 N 2.00 0.00 0.97 6.66 4.64 -1.94 0.71 113.55 126.59 1wx9 h SER 45 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1wx9 h SER 45 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1wx9 h SER 45 CO 0.61 0.00 -0.27 -1.84 -0.87 0.00 0.00 176.83 174.45 1wx9 n GLU 46 N -2.59 0.14 0.00 4.77 0.28 -1.26 -3.31 120.64 118.67 1wx9 n GLU 46 Ca -0.00 0.07 0.03 0.00 -0.16 0.00 0.00 57.16 57.11 1wx9 n GLU 46 Cb 0.17 -1.62 0.01 0.00 1.43 0.00 0.00 31.44 31.43 1wx9 n GLU 46 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wx9 n LYS 47 N -1.84 1.69 -2.74 3.44 5.02 0.07 -5.01 118.16 118.79 1wx9 n LYS 47 Ca 0.05 -0.61 -0.26 0.00 -2.02 0.00 0.00 58.31 55.47 1wx9 n LYS 47 Cb 0.39 -1.02 0.01 0.00 -0.02 0.00 0.00 35.03 34.38 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 -0.95 3.27 -0.45 1.97 -0.21 -0.19 -2.14 119.66 120.96 1wx9 s GLN 48 Ca 0.06 -0.07 0.05 0.00 0.02 0.00 0.00 55.36 55.43 1wx9 s GLN 48 Cb 0.06 -2.42 0.19 0.00 1.00 0.00 0.00 33.01 31.83 1wx9 s GLN 48 CO 0.15 -0.30 0.74 0.50 -2.12 0.00 0.00 175.29 174.26 1wx9 s ARG 49 N -4.71 0.85 0.16 2.91 3.52 -1.09 -4.97 118.95 115.62 1wx9 s ARG 49 Ca 0.48 -0.62 -0.31 0.00 -0.13 0.00 0.00 55.73 55.15 1wx9 s ARG 49 Cb -0.10 0.02 -0.10 0.00 -1.56 0.00 0.00 34.95 33.21 1wx9 s ARG 49 CO 0.42 -1.12 1.54 -0.51 -0.81 0.00 0.00 175.30 174.83 1wx9 s LEU 50 N 1.34 4.37 -0.05 -0.88 1.43 -1.26 -3.18 118.68 120.45 1wx9 s LEU 50 Ca 0.23 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 1wx9 s LEU 50 Cb -0.00 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.65 1wx9 s LEU 50 CO -0.07 -0.80 -0.01 -0.63 0.23 0.00 0.00 176.35 175.07 1wx9 s ILE 51 N 1.07 0.34 -0.20 -0.59 1.01 0.25 0.69 121.20 123.78 1wx9 s ILE 51 Ca 0.69 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 61.36 1wx9 s ILE 51 Cb -0.43 -0.44 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 1wx9 s ILE 51 CO 0.32 0.21 -0.09 -0.47 0.00 0.00 0.00 174.94 174.91 1wx9 s TYR 52 N 1.30 2.90 0.00 3.97 6.14 -0.22 -0.55 117.35 130.89 1wx9 s TYR 52 Ca -0.05 -1.03 0.00 0.00 0.64 0.00 0.00 57.07 56.63 1wx9 s TYR 52 Cb -0.13 -2.03 0.00 0.00 0.42 0.00 0.00 41.96 40.22 1wx9 s TYR 52 CO -0.02 -0.54 0.00 1.04 0.64 0.00 0.00 175.55 176.67 1wx9 n GLN 53 N 4.55 0.00 -1.01 4.97 1.13 -1.26 -1.67 117.38 124.09 1wx9 n GLN 53 Ca -0.19 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 -0.29 2.86 1.08 0.00 -1.26 -5.14 105.19 102.43 1wx9 n GLY 54 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 0.01 0.28 -0.38 1.61 1.70 -0.67 -5.11 118.95 116.39 1wx9 s ARG 55 Ca 0.01 0.00 -0.29 0.00 -0.47 0.00 0.00 55.73 54.98 1wx9 s ARG 55 Cb 0.03 -0.38 0.01 0.00 -0.57 0.00 0.00 34.95 34.04 1wx9 s ARG 55 CO -0.01 -0.06 1.34 0.54 -1.08 0.00 0.00 175.30 176.03 1wx9 s VAL 56 N 0.60 4.02 0.05 4.99 0.11 -1.26 -1.06 120.40 127.85 1wx9 s VAL 56 Ca -0.06 1.08 -0.30 0.00 -2.93 0.00 0.00 61.98 59.77 1wx9 s VAL 56 Cb -0.09 -4.24 -0.09 0.00 -1.53 0.00 0.00 36.38 30.43 1wx9 s VAL 56 CO -0.01 -0.70 1.87 -0.76 -3.33 0.00 0.00 175.10 172.17 1wx9 s LEU 57 N 4.95 4.41 0.31 2.54 1.43 0.22 -4.92 118.68 127.62 1wx9 s LEU 57 Ca 0.58 2.63 -0.29 0.00 -1.03 0.00 0.00 54.13 56.01 1wx9 s LEU 57 Cb -0.14 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.44 1wx9 s LEU 57 CO 0.29 -1.01 1.41 -1.10 0.23 0.00 0.00 176.35 176.17 1wx9 s GLN 58 N 3.85 4.26 0.26 1.70 1.11 -1.26 -4.61 119.66 124.96 1wx9 s GLN 58 Ca 0.84 2.35 -0.04 0.00 0.01 0.00 0.00 55.36 58.51 1wx9 s GLN 58 Cb -0.42 -3.06 0.30 0.00 -1.01 0.00 0.00 33.01 28.82 1wx9 s GLN 58 CO 0.38 -0.37 1.85 0.38 0.01 0.00 0.00 175.29 177.54 1wx9 h ASP 59 N 3.95 0.98 -0.51 5.90 2.03 -1.94 -2.08 116.42 124.75 1wx9 h ASP 59 Ca -0.48 -0.12 -0.12 0.00 -0.73 0.00 0.00 57.03 55.58 1wx9 h ASP 59 Cb 1.23 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 39.46 1wx9 h ASP 59 CO 0.70 0.84 -0.14 0.44 -1.03 0.00 0.00 179.24 180.05 1wx9 h ASP 60 N 1.07 1.02 -4.17 4.15 5.19 -1.97 -1.73 116.42 119.97 1wx9 h ASP 60 Ca 0.26 -0.35 -0.51 0.00 -0.62 0.00 0.00 57.03 55.81 1wx9 h ASP 60 Cb 0.13 -0.28 0.19 0.00 0.18 0.00 0.00 39.33 39.55 1wx9 h ASP 60 CO -0.03 1.14 0.22 -0.54 -3.12 0.00 0.00 179.24 176.91 1wx9 s LYS 61 N -4.80 1.03 0.27 3.56 -0.14 -0.78 -4.59 119.74 114.29 1wx9 s LYS 61 Ca -0.11 1.40 0.09 0.00 -1.36 0.00 0.00 55.97 55.98 1wx9 s LYS 61 Cb 0.13 -1.74 -0.04 0.00 -1.68 0.00 0.00 37.83 34.50 1wx9 s LYS 61 CO 0.86 -2.57 0.08 0.15 -0.76 0.00 0.00 175.35 173.12 1wx9 s LYS 62 N -4.68 2.51 0.07 1.68 1.02 -1.26 0.69 119.74 119.77 1wx9 s LYS 62 Ca 0.66 -1.32 -0.34 0.00 0.02 0.00 0.00 55.97 54.99 1wx9 s LYS 62 Cb -0.22 -2.30 -0.18 0.00 -0.52 0.00 0.00 37.83 34.61 1wx9 s LYS 62 CO 0.58 0.34 1.61 -0.07 -0.92 0.00 0.00 175.35 176.89 1wx9 h LEU 63 N 1.71 -0.91 -0.76 3.17 -0.00 -1.83 -2.82 115.31 113.86 1wx9 h LEU 63 Ca -0.45 0.04 0.14 0.00 -0.00 0.00 0.00 57.88 57.61 1wx9 h LEU 63 Cb 1.25 0.25 -0.14 0.00 -0.00 0.00 0.00 40.66 42.02 1wx9 h LEU 63 CO 0.61 -0.61 -0.28 -0.61 -0.00 0.00 0.00 178.44 177.55 1wx9 h GLN 64 N -0.99 -0.06 -0.96 1.13 4.15 -1.84 0.35 115.11 116.90 1wx9 h GLN 64 Ca -0.09 0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.53 1wx9 h GLN 64 Cb 0.78 0.01 -0.18 0.00 0.21 0.00 0.00 27.48 28.30 1wx9 h GLN 64 CO 0.13 -0.04 -0.21 0.93 -1.93 0.00 0.00 178.83 177.71 1wx9 h GLU 65 N -0.06 0.00 0.00 1.69 4.39 -1.81 1.46 114.58 120.25 1wx9 h GLU 65 Ca 0.32 -0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.88 1wx9 h GLU 65 Cb 0.57 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1wx9 h GLU 65 CO -0.80 0.00 -0.67 1.88 -1.16 0.00 0.00 179.01 178.27 1wx9 h TYR 66 N 0.00 0.00 -1.19 4.33 0.05 -0.34 -3.48 116.97 116.35 1wx9 h TYR 66 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.26 1wx9 h TYR 66 Cb 0.76 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.50 1wx9 h TYR 66 CO -0.71 0.67 0.00 -1.71 -1.05 0.00 0.00 178.16 175.35 1wx9 n ASN 67 N -3.67 -1.83 -0.85 3.88 2.85 0.50 -4.94 115.26 111.20 1wx9 n ASN 67 Ca -0.01 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.51 1wx9 n ASN 67 Cb 0.67 -0.46 0.16 0.00 1.24 0.00 0.00 39.78 41.40 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 -1.87 0.80 -1.62 3.44 0.24 -1.19 -4.79 118.33 113.34 1wx9 n VAL 68 Ca 0.00 -0.53 -0.44 0.00 -2.04 0.00 0.00 64.34 61.33 1wx9 n VAL 68 Cb 0.46 -0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.74 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 0.70 1.31 2.96 7.63 0.00 -1.25 -0.28 105.19 116.26 1wx9 n GLY 69 Ca 0.12 0.81 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 5.30 0.37 3.95 -0.02 0.00 0.24 -4.92 105.19 110.11 1wx9 n GLY 70 Ca 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.76 2.26 -0.32 1.61 -0.14 0.62 -4.83 119.74 118.18 1wx9 s LYS 71 Ca 0.00 -0.52 -0.07 0.00 -1.36 0.00 0.00 55.97 54.02 1wx9 s LYS 71 Cb 0.00 -2.30 0.02 0.00 -1.68 0.00 0.00 37.83 33.88 1wx9 s LYS 71 CO 0.00 -1.07 0.10 0.08 -0.76 0.00 0.00 175.35 173.70 1wx9 s VAL 72 N -3.06 3.92 0.59 3.17 1.01 -1.26 -1.87 120.40 122.90 1wx9 s VAL 72 Ca 0.60 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1wx9 s VAL 72 Cb -0.10 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.20 1wx9 s VAL 72 CO 0.42 -0.06 0.84 -0.63 0.00 0.00 0.00 175.10 175.67 1wx9 s ILE 73 N 1.46 2.55 -0.33 2.22 1.01 -1.15 -4.86 121.20 122.10 1wx9 s ILE 73 Ca 0.01 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1wx9 s ILE 73 Cb -0.18 -2.95 0.10 0.00 0.01 0.00 0.00 42.46 39.43 1wx9 s ILE 73 CO 0.03 0.00 0.07 -1.00 0.00 0.00 0.00 174.94 174.04 1wx9 s HIS 74 N -2.88 2.98 0.03 3.97 3.76 0.28 -1.48 115.29 121.96 1wx9 s HIS 74 Ca 0.59 -2.53 -0.11 0.00 -0.15 0.00 0.00 55.06 52.86 1wx9 s HIS 74 Cb -0.10 -2.46 -0.06 0.00 1.11 0.00 0.00 32.58 31.07 1wx9 s HIS 74 CO 0.40 -0.92 0.38 -1.17 -0.85 0.00 0.00 174.74 172.58 1wx9 s LEU 75 N 1.16 4.40 0.03 0.89 2.96 -1.26 -0.58 118.68 126.28 1wx9 s LEU 75 Ca 0.11 0.82 0.04 0.00 -0.22 0.00 0.00 54.13 54.88 1wx9 s LEU 75 Cb -0.18 -2.75 -0.02 0.00 0.50 0.00 0.00 46.19 43.73 1wx9 s LEU 75 CO -0.14 0.25 -0.12 0.68 -1.32 0.00 0.00 176.35 175.70 1wx9 s VAL 76 N -1.25 0.92 -0.10 1.68 -7.23 -1.19 -4.62 120.40 108.62 1wx9 s VAL 76 Ca 0.28 -0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 59.51 1wx9 s VAL 76 Cb -0.15 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 1wx9 s VAL 76 CO 0.15 -0.05 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.16 1wx9 s GLU 77 N -1.10 3.11 1.07 4.82 -6.30 -1.26 -2.65 118.70 116.39 1wx9 s GLU 77 Ca -0.00 -0.48 -0.12 0.00 -2.50 0.00 0.00 54.97 51.86 1wx9 s GLU 77 Cb -0.08 -2.77 0.23 0.00 0.00 0.00 0.00 34.13 31.52 1wx9 s GLU 77 CO 0.01 0.56 1.06 1.03 0.02 0.00 0.00 175.26 177.94 1wx9 s ARG 78 N -0.50 -0.16 0.35 4.30 0.52 -0.91 -5.02 118.95 117.54 1wx9 s ARG 78 Ca 0.08 0.80 -0.07 0.00 -0.52 0.00 0.00 55.73 56.01 1wx9 s ARG 78 Cb -0.12 -1.65 -0.06 0.00 0.52 0.00 0.00 34.95 33.65 1wx9 s ARG 78 CO 0.02 -3.20 0.66 0.00 0.02 0.00 0.00 175.30 172.80 1wx9 s ALA 79 N -2.67 3.49 0.52 2.13 0.00 -1.26 -5.06 121.76 118.90 1wx9 s ALA 79 Ca 0.67 -0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.04 1wx9 s ALA 79 Cb -0.22 -2.49 -0.07 0.00 0.00 0.00 0.00 23.12 20.34 1wx9 s ALA 79 CO 0.61 0.10 1.04 -1.25 0.00 0.00 0.00 175.76 176.26 1wx9 s PRO 80 N -3.75 3.65 -0.28 0.00 0.04 -1.26 -5.06 135.00 128.34 1wx9 s PRO 80 Ca 0.47 1.29 -0.23 0.00 0.04 0.00 0.00 61.00 62.58 1wx9 s PRO 80 Cb -0.10 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.45 1wx9 s PRO 80 CO 0.31 -0.55 0.80 0.45 0.04 0.00 0.00 177.00 178.05 1wx9 s SER 81 N -2.30 -0.70 0.22 6.66 0.15 -1.26 -5.14 113.70 111.33 1wx9 s SER 81 Ca 0.66 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.60 1wx9 s SER 81 Cb -0.16 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.46 1wx9 s SER 81 CO 0.26 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1wx9 n GLY 82 N 2.91 0.51 3.56 9.45 0.00 -1.26 -3.76 105.19 116.60 1wx9 n GLY 82 Ca -0.15 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 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 3.04 -0.28 1.61 0.04 -1.26 -4.88 135.00 133.27 1wx9 s PRO 83 Ca 0.00 -0.49 -0.17 0.00 0.04 0.00 0.00 61.00 60.38 1wx9 s PRO 83 Cb 0.00 -4.98 0.08 0.00 0.04 0.00 0.00 34.50 29.64 1wx9 s PRO 83 CO 0.00 -2.70 0.69 0.45 0.04 0.00 0.00 177.00 175.48 1wx9 s SER 84 N 6.34 -0.93 0.26 6.66 0.15 -1.25 -5.10 113.70 119.82 1wx9 s SER 84 Ca 0.56 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.72 1wx9 s SER 84 Cb -0.05 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 1wx9 s SER 84 CO 0.00 -0.24 0.00 -1.20 1.20 0.00 0.00 173.24 173.00 1wx9 n SER 85 N 4.19 -8.48 0.00 5.45 7.64 -1.26 -4.70 113.62 116.46 1wx9 n SER 85 Ca -0.20 1.23 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1wx9 n SER 85 Cb 0.59 -4.58 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 1wx9 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64