#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 6.28 -0.15 1.61 0.15 -1.26 -5.00 113.70 115.33 1wx9 s SER 2 Ca 0.00 2.83 -0.03 0.00 0.70 0.00 0.00 55.95 59.45 1wx9 s SER 2 Cb 0.00 -2.65 -0.03 0.00 -1.71 0.00 0.00 66.02 61.63 1wx9 s SER 2 CO 0.00 -0.89 -0.05 -0.94 1.20 0.00 0.00 173.24 172.56 1wx9 s SER 3 N -0.49 4.70 0.00 5.45 1.04 -1.26 -5.02 113.70 118.13 1wx9 s SER 3 Ca 0.56 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1wx9 s SER 3 Cb -0.42 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 63.97 1wx9 s SER 3 CO 0.55 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.56 1wx9 n GLY 4 N 3.45 1.02 1.43 7.32 0.00 -1.26 -5.09 105.19 112.06 1wx9 n GLY 4 Ca -0.17 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.46 -4.69 1.61 7.64 -1.26 -5.05 113.62 112.33 1wx9 n SER 5 Ca 0.00 0.23 -0.37 0.00 1.01 0.00 0.00 58.87 59.74 1wx9 n SER 5 Cb 0.00 -0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.10 1wx9 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wx9 s SER 6 N -5.46 6.32 0.00 6.43 0.01 -1.26 -5.02 113.70 114.71 1wx9 s SER 6 Ca 0.00 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1wx9 s SER 6 Cb 0.00 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1wx9 s SER 6 CO 0.00 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1wx9 n GLY 7 N 3.81 1.82 3.78 3.44 0.00 -1.26 -5.01 105.19 111.77 1wx9 n GLY 7 Ca -0.12 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 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 4.32 0.13 0.99 0.20 -0.34 -4.93 118.68 119.06 1wx9 s LEU 8 Ca 0.00 0.59 -0.12 0.00 0.69 0.00 0.00 54.13 55.29 1wx9 s LEU 8 Cb 0.00 -2.35 -0.06 0.00 -0.43 0.00 0.00 46.19 43.35 1wx9 s LEU 8 CO 0.00 0.21 0.49 -0.70 -0.29 0.00 0.00 176.35 176.07 1wx9 s GLU 9 N -0.18 3.87 -0.10 1.98 2.12 -1.26 -0.76 118.70 124.37 1wx9 s GLU 9 Ca 0.17 0.34 -0.05 0.00 0.36 0.00 0.00 54.97 55.79 1wx9 s GLU 9 Cb -0.14 -2.92 0.05 0.00 0.26 0.00 0.00 34.13 31.38 1wx9 s GLU 9 CO 0.06 0.49 0.24 0.08 -0.54 0.00 0.00 175.26 175.58 1wx9 s VAL 10 N -1.49 -0.06 0.40 3.70 1.01 0.45 0.74 120.40 125.16 1wx9 s VAL 10 Ca 0.37 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.59 1wx9 s VAL 10 Cb -0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1wx9 s VAL 10 CO 0.19 0.06 0.39 -0.76 0.00 0.00 0.00 175.10 174.99 1wx9 s LEU 11 N 1.31 3.47 -0.25 3.92 1.02 -0.82 0.17 118.68 127.51 1wx9 s LEU 11 Ca -0.09 -0.65 -0.11 0.00 0.02 0.00 0.00 54.13 53.30 1wx9 s LEU 11 Cb -0.11 -2.18 0.09 0.00 0.02 0.00 0.00 46.19 44.02 1wx9 s LEU 11 CO -0.08 -0.62 0.57 -0.69 0.02 0.00 0.00 176.35 175.55 1wx9 s VAL 12 N -2.42 -0.43 -0.07 -1.59 1.01 -1.01 -2.91 120.40 112.99 1wx9 s VAL 12 Ca 0.48 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1wx9 s VAL 12 Cb -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1wx9 s VAL 12 CO 0.28 0.02 -0.16 -0.75 0.00 0.00 0.00 175.10 174.50 1wx9 s LYS 13 N 2.15 2.68 0.52 2.72 2.20 -0.56 -1.72 119.74 127.73 1wx9 s LYS 13 Ca -0.07 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 54.81 1wx9 s LYS 13 Cb -0.09 -2.39 -0.01 0.00 -1.51 0.00 0.00 37.83 33.83 1wx9 s LYS 13 CO -0.17 0.50 0.00 0.95 -0.36 0.00 0.00 175.35 176.27 1wx9 s THR 14 N -0.41 1.10 0.58 3.43 -4.23 -1.26 -2.97 115.64 111.88 1wx9 s THR 14 Ca 0.04 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.84 1wx9 s THR 14 Cb -0.12 -2.11 0.35 0.00 1.34 0.00 0.00 72.50 71.96 1wx9 s THR 14 CO 0.02 0.00 2.18 -0.07 -0.54 0.00 0.00 174.62 176.21 1wx9 h LEU 15 N 1.33 0.00 -0.93 4.79 3.38 -2.01 0.66 115.31 122.53 1wx9 h LEU 15 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1wx9 h LEU 15 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1wx9 h LEU 15 CO 0.74 0.00 0.00 0.44 0.09 0.00 0.00 178.44 179.71 1wx9 h ASP 16 N 0.00 0.00 -5.36 -0.43 3.32 -1.99 -3.47 116.42 108.50 1wx9 h ASP 16 Ca 0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1wx9 h ASP 16 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1wx9 h ASP 16 CO -0.00 0.00 -0.08 -1.20 -1.72 0.00 0.00 179.24 176.24 1wx9 n SER 17 N -2.59 -7.83 -2.99 6.45 7.64 0.23 -5.00 113.62 109.52 1wx9 n SER 17 Ca 0.02 0.03 -0.15 0.00 1.01 0.00 0.00 58.87 59.77 1wx9 n SER 17 Cb 0.28 -5.33 0.01 0.00 -1.01 0.00 0.00 64.21 58.16 1wx9 n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wx9 n GLN 18 N -1.53 0.88 -1.36 1.43 6.02 -1.26 -4.97 117.38 116.59 1wx9 n GLN 18 Ca 0.02 -2.65 -0.50 0.00 -0.01 0.00 0.00 57.00 53.86 1wx9 n GLN 18 Cb 0.49 -1.37 -0.05 0.00 1.02 0.00 0.00 30.24 30.33 1wx9 n GLN 18 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1wx9 n THR 19 N 0.85 1.00 -3.88 5.09 -1.04 -1.25 -4.79 114.28 110.25 1wx9 n THR 19 Ca 0.16 -0.25 -0.27 0.00 -2.04 0.00 0.00 64.05 61.65 1wx9 n THR 19 Cb 0.63 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.97 1wx9 n THR 19 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1wx9 s ARG 20 N -0.50 1.35 0.15 -2.82 0.52 -0.70 -4.92 118.95 112.03 1wx9 s ARG 20 Ca 0.72 -0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 55.30 1wx9 s ARG 20 Cb -1.02 -1.72 -0.07 0.00 0.52 0.00 0.00 34.95 32.66 1wx9 s ARG 20 CO 0.53 -0.36 1.01 0.99 0.02 0.00 0.00 175.30 177.50 1wx9 s THR 21 N 1.71 4.21 -0.02 0.02 2.01 -1.26 -2.39 115.64 119.93 1wx9 s THR 21 Ca 0.03 1.90 0.03 0.00 0.31 0.00 0.00 61.69 63.96 1wx9 s THR 21 Cb -0.14 -4.21 -0.00 0.00 0.01 0.00 0.00 72.50 68.16 1wx9 s THR 21 CO -0.08 0.32 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.71 1wx9 s PHE 22 N -0.21 0.95 -0.39 4.92 0.08 0.46 -4.94 117.98 118.85 1wx9 s PHE 22 Ca 0.47 -0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.27 1wx9 s PHE 22 Cb -0.26 -0.63 0.08 0.00 -0.57 0.00 0.00 43.02 41.64 1wx9 s PHE 22 CO 0.32 -0.05 0.18 0.42 -0.10 0.00 0.00 175.22 175.99 1wx9 s ILE 23 N -0.08 3.58 0.23 0.64 -1.09 -1.26 0.17 121.20 123.40 1wx9 s ILE 23 Ca 0.01 -1.65 0.06 0.00 -2.23 0.00 0.00 60.65 56.84 1wx9 s ILE 23 Cb -0.06 -3.26 -0.05 0.00 -1.58 0.00 0.00 42.46 37.51 1wx9 s ILE 23 CO -0.00 -0.49 -0.07 0.68 -1.23 0.00 0.00 174.94 173.83 1wx9 s VAL 24 N 1.28 1.45 -0.05 2.92 -7.23 0.06 -4.92 120.40 113.90 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 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1wx9 s VAL 24 CO -0.01 -0.43 1.38 -0.83 -0.31 0.00 0.00 175.10 174.90 1wx9 s GLY 25 N -3.34 1.79 0.38 2.32 0.00 -1.26 -1.20 107.32 106.01 1wx9 s GLY 25 Ca 0.26 0.76 0.21 0.00 0.00 0.00 0.00 44.72 45.95 1wx9 s GLY 25 CO 0.08 2.55 1.64 0.00 0.00 0.00 0.00 173.10 177.37 1wx9 h ALA 26 N 8.14 2.26 -0.66 3.20 0.00 -1.93 1.46 119.26 131.72 1wx9 h ALA 26 Ca -0.35 0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1wx9 h ALA 26 Cb 1.16 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 1wx9 h ALA 26 CO 0.92 -0.91 0.39 1.96 0.00 0.00 0.00 179.25 181.61 1wx9 h GLN 27 N 0.18 0.72 -5.46 0.00 1.08 -2.01 -3.35 115.11 106.27 1wx9 h GLN 27 Ca 0.78 -0.04 -0.56 0.00 -1.45 0.00 0.00 58.65 57.37 1wx9 h GLN 27 Cb 2.08 -0.16 0.14 0.00 -0.05 0.00 0.00 27.48 29.49 1wx9 h GLN 27 CO -0.57 0.47 -0.88 -0.12 -0.95 0.00 0.00 178.83 176.78 1wx9 n MET 28 N -4.74 0.00 -3.23 1.46 1.56 0.50 -4.87 117.12 107.80 1wx9 n MET 28 Ca 0.08 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.31 1wx9 n MET 28 Cb 0.13 -0.91 0.00 0.00 2.15 0.00 0.00 33.22 34.60 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 -0.91 5.83 0.12 6.12 4.22 -1.26 -3.76 114.94 125.30 1wx9 s ASN 29 Ca 0.54 -0.13 -0.24 0.00 -2.14 0.00 0.00 52.86 50.88 1wx9 s ASN 29 Cb -0.57 -1.14 -0.04 0.00 1.28 0.00 0.00 41.25 40.77 1wx9 s ASN 29 CO 0.57 -0.60 1.65 0.58 -2.04 0.00 0.00 177.10 177.26 1wx9 h VAL 30 N 0.69 0.50 -0.36 3.54 2.07 -0.14 0.64 116.25 123.19 1wx9 h VAL 30 Ca -0.44 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1wx9 h VAL 30 Cb 1.26 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 1wx9 h VAL 30 CO 0.52 0.00 -0.52 0.50 0.02 0.00 0.00 177.57 178.09 1wx9 h LYS 31 N -0.31 -0.37 -0.18 1.57 3.64 -1.72 0.82 116.57 120.01 1wx9 h LYS 31 Ca 0.07 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1wx9 h LYS 31 Cb 0.41 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.24 1wx9 h LYS 31 CO -0.22 -0.25 -0.46 0.93 -2.27 0.00 0.00 179.45 177.18 1wx9 h GLU 32 N -0.38 -0.47 -1.09 1.90 5.08 -1.76 0.14 114.58 117.99 1wx9 h GLU 32 Ca 0.06 0.03 0.34 0.00 -1.00 0.00 0.00 59.36 58.80 1wx9 h GLU 32 Cb 0.56 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 29.78 1wx9 h GLU 32 CO -0.54 -0.32 0.66 0.35 -1.00 0.00 0.00 179.01 178.17 1wx9 h PHE 33 N -0.49 0.77 -0.52 4.33 3.57 0.15 1.55 116.94 126.30 1wx9 h PHE 33 Ca 0.07 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 1wx9 h PHE 33 Cb 0.64 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1wx9 h PHE 33 CO -0.54 -0.15 -0.07 0.87 -2.23 0.00 0.00 178.31 176.19 1wx9 h LYS 34 N 0.27 0.94 -0.12 1.11 1.57 0.16 -0.28 116.57 120.21 1wx9 h LYS 34 Ca 0.73 -0.31 -0.14 0.00 -1.87 0.00 0.00 60.65 59.06 1wx9 h LYS 34 Cb 1.90 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.12 1wx9 h LYS 34 CO -0.50 0.97 -0.53 0.93 -0.57 0.00 0.00 179.45 179.75 1wx9 h GLU 35 N 0.85 0.33 -0.03 3.15 5.08 0.31 1.37 114.58 125.63 1wx9 h GLU 35 Ca 0.14 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1wx9 h GLU 35 Cb 0.60 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1wx9 h GLU 35 CO 0.04 0.78 -0.01 1.25 -1.00 0.00 0.00 179.01 180.07 1wx9 h HIS 36 N 0.26 0.06 0.00 4.33 2.76 0.05 -3.10 115.15 119.52 1wx9 h HIS 36 Ca 0.01 -0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 57.99 1wx9 h HIS 36 Cb 1.02 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.94 1wx9 h HIS 36 CO 0.03 0.42 -0.80 -0.84 -1.30 0.00 0.00 177.93 175.44 1wx9 h ILE 37 N -0.30 1.51 -1.43 6.26 3.07 -1.03 -3.20 117.51 122.39 1wx9 h ILE 37 Ca 0.01 -2.79 0.48 0.00 1.55 0.00 0.00 64.86 64.11 1wx9 h ILE 37 Cb 0.39 2.53 -0.13 0.00 -0.27 0.00 0.00 36.82 39.34 1wx9 h ILE 37 CO 0.00 0.78 0.94 0.00 -1.05 0.00 0.00 178.15 178.82 1wx9 h ALA 38 N 1.20 2.92 0.45 0.16 0.00 0.19 1.08 119.26 125.27 1wx9 h ALA 38 Ca -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1wx9 h ALA 38 Cb 1.47 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1wx9 h ALA 38 CO 0.10 -1.59 -0.22 0.00 0.00 0.00 0.00 179.25 177.55 1wx9 h ALA 39 N 1.54 -0.61 0.62 0.00 0.00 -1.61 0.64 119.26 119.84 1wx9 h ALA 39 Ca 0.87 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.56 1wx9 h ALA 39 Cb 2.87 0.23 0.01 0.00 0.00 0.00 0.00 17.79 20.90 1wx9 h ALA 39 CO -0.40 -0.67 -0.30 0.77 0.00 0.00 0.00 179.25 178.65 1wx9 h SER 40 N -0.95 -0.71 -0.71 0.00 0.02 0.60 -2.70 113.55 109.10 1wx9 h SER 40 Ca -0.06 0.02 0.18 0.00 -0.84 0.00 0.00 61.79 61.09 1wx9 h SER 40 Cb 0.58 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.26 1wx9 h SER 40 CO 0.10 -0.47 0.49 -0.37 -1.14 0.00 0.00 176.83 175.44 1wx9 h VAL 41 N -0.90 0.71 -0.14 2.27 -1.51 0.47 -3.45 116.25 113.70 1wx9 h VAL 41 Ca -0.09 -0.06 -0.06 0.00 -1.23 0.00 0.00 66.70 65.27 1wx9 h VAL 41 Cb 0.64 0.53 -0.02 0.00 -2.13 0.00 0.00 31.29 30.30 1wx9 h VAL 41 CO 0.14 0.03 -0.05 -0.24 -1.23 0.00 0.00 177.57 176.22 1wx9 n SER 42 N -4.40 -3.56 -4.42 4.19 2.88 0.22 -5.02 113.62 103.51 1wx9 n SER 42 Ca 0.14 0.07 -0.32 0.00 -1.33 0.00 0.00 58.87 57.43 1wx9 n SER 42 Cb 0.66 -1.31 -0.14 0.00 -0.75 0.00 0.00 64.21 62.67 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 -2.03 2.67 0.36 2.46 1.01 -0.74 -4.97 121.20 119.95 1wx9 s ILE 43 Ca 0.00 -0.96 -0.26 0.00 0.00 0.00 0.00 60.65 59.43 1wx9 s ILE 43 Cb 0.00 -2.03 -0.09 0.00 0.01 0.00 0.00 42.46 40.35 1wx9 s ILE 43 CO 0.00 0.53 1.06 -2.16 0.00 0.00 0.00 174.94 174.37 1wx9 s PRO 44 N -0.86 4.32 0.35 2.79 0.04 -1.26 -4.12 135.00 136.27 1wx9 s PRO 44 Ca 0.12 1.60 0.08 0.00 0.04 0.00 0.00 61.00 62.84 1wx9 s PRO 44 Cb -0.10 -2.75 0.79 0.00 0.04 0.00 0.00 34.50 32.48 1wx9 s PRO 44 CO 0.01 -0.02 1.88 0.66 0.04 0.00 0.00 177.00 179.57 1wx9 h SER 45 N 2.93 0.67 0.37 6.66 4.64 -1.92 0.93 113.55 127.83 1wx9 h SER 45 Ca -0.48 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1wx9 h SER 45 Cb 1.21 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1wx9 h SER 45 CO 0.64 0.36 0.00 -1.84 -0.87 0.00 0.00 176.83 175.11 1wx9 n GLU 46 N -4.54 0.09 -0.00 4.77 0.28 -1.26 -1.36 120.64 118.61 1wx9 n GLU 46 Ca 0.16 0.43 0.05 0.00 -0.16 0.00 0.00 57.16 57.64 1wx9 n GLU 46 Cb 0.42 -1.71 -0.07 0.00 1.43 0.00 0.00 31.44 31.52 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 -1.88 1.24 -2.03 3.44 5.02 0.27 -5.01 118.16 119.22 1wx9 n LYS 47 Ca 0.01 -0.07 -0.29 0.00 -2.02 0.00 0.00 58.31 55.95 1wx9 n LYS 47 Cb 0.13 -1.15 0.05 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.47 2.80 -0.40 1.97 -0.21 0.16 -2.95 119.66 118.58 1wx9 s GLN 48 Ca -0.02 0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.68 1wx9 s GLN 48 Cb 0.06 -2.09 0.19 0.00 1.00 0.00 0.00 33.01 32.18 1wx9 s GLN 48 CO 0.40 -0.99 0.82 0.50 -2.12 0.00 0.00 175.29 173.89 1wx9 s ARG 49 N -5.28 0.61 0.26 2.91 3.52 -1.10 -4.92 118.95 114.95 1wx9 s ARG 49 Ca 0.57 -0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.55 1wx9 s ARG 49 Cb -0.11 0.04 -0.10 0.00 -1.56 0.00 0.00 34.95 33.23 1wx9 s ARG 49 CO 0.50 -0.84 1.36 -0.51 -0.81 0.00 0.00 175.30 174.99 1wx9 s LEU 50 N 1.64 4.41 -0.04 -0.88 1.43 -1.26 -2.75 118.68 121.23 1wx9 s LEU 50 Ca 0.19 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 1wx9 s LEU 50 Cb 0.00 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.62 1wx9 s LEU 50 CO -0.09 -0.60 0.00 -0.63 0.23 0.00 0.00 176.35 175.26 1wx9 s ILE 51 N -0.33 0.19 -0.07 -0.59 1.01 0.04 -0.71 121.20 120.75 1wx9 s ILE 51 Ca 0.55 0.11 -0.01 0.00 0.00 0.00 0.00 60.65 61.31 1wx9 s ILE 51 Cb -0.40 -0.30 0.03 0.00 0.01 0.00 0.00 42.46 41.79 1wx9 s ILE 51 CO 0.45 0.16 -0.02 -0.47 0.00 0.00 0.00 174.94 175.06 1wx9 s TYR 52 N 1.22 0.76 0.00 3.97 6.14 -1.10 -0.33 117.35 128.01 1wx9 s TYR 52 Ca -0.07 -0.23 0.00 0.00 0.64 0.00 0.00 57.07 57.41 1wx9 s TYR 52 Cb -0.13 -0.80 0.00 0.00 0.42 0.00 0.00 41.96 41.45 1wx9 s TYR 52 CO -0.02 -0.30 0.00 0.94 0.64 0.00 0.00 175.55 176.81 1wx9 n GLN 53 N 4.79 0.00 0.00 4.97 0.00 -1.26 -3.25 117.38 122.63 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 0.49 3.79 1.69 0.00 -1.26 -5.13 105.19 104.77 1wx9 n GLY 54 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.85 0.41 1.61 0.52 -1.20 -5.07 118.95 119.08 1wx9 s ARG 55 Ca 0.00 -0.18 -0.26 0.00 -0.52 0.00 0.00 55.73 54.77 1wx9 s ARG 55 Cb 0.00 -3.31 -0.09 0.00 0.52 0.00 0.00 34.95 32.07 1wx9 s ARG 55 CO 0.00 0.51 1.31 0.54 0.02 0.00 0.00 175.30 177.68 1wx9 s VAL 56 N -0.25 2.57 0.01 3.52 0.11 -1.26 -2.73 120.40 122.37 1wx9 s VAL 56 Ca 0.11 0.51 -0.28 0.00 -2.93 0.00 0.00 61.98 59.38 1wx9 s VAL 56 Cb -0.11 -3.30 -0.04 0.00 -1.53 0.00 0.00 36.38 31.40 1wx9 s VAL 56 CO 0.01 0.07 0.91 -0.76 -3.33 0.00 0.00 175.10 172.00 1wx9 s LEU 57 N -2.48 4.39 0.36 2.54 1.43 0.11 -4.94 118.68 120.09 1wx9 s LEU 57 Ca 0.58 1.58 -0.27 0.00 -1.03 0.00 0.00 54.13 54.99 1wx9 s LEU 57 Cb -0.38 -3.46 -0.09 0.00 0.03 0.00 0.00 46.19 42.29 1wx9 s LEU 57 CO 0.49 -0.17 1.14 -1.10 0.23 0.00 0.00 176.35 176.94 1wx9 s GLN 58 N 0.69 4.28 0.04 1.70 -1.52 -1.26 -4.75 119.66 118.84 1wx9 s GLN 58 Ca 0.47 1.82 -0.21 0.00 -1.95 0.00 0.00 55.36 55.49 1wx9 s GLN 58 Cb -0.21 -2.85 -0.14 0.00 -0.22 0.00 0.00 33.01 29.59 1wx9 s GLN 58 CO 0.26 -0.12 1.40 0.38 -0.25 0.00 0.00 175.29 176.97 1wx9 h ASP 59 N 3.05 0.30 0.40 5.90 2.03 -1.95 -2.33 116.42 123.81 1wx9 h ASP 59 Ca -0.48 -0.41 0.00 0.00 -0.73 0.00 0.00 57.03 55.41 1wx9 h ASP 59 Cb 1.22 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1wx9 h ASP 59 CO 0.64 0.64 0.00 -0.78 -1.03 0.00 0.00 179.24 178.71 1wx9 h ASP 60 N -0.05 0.00 -4.44 4.15 3.58 -1.98 -2.85 116.42 114.84 1wx9 h ASP 60 Ca 0.03 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 57.01 1wx9 h ASP 60 Cb 0.52 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.66 1wx9 h ASP 60 CO 0.02 0.00 0.38 -0.54 -2.88 0.00 0.00 179.24 176.21 1wx9 s LYS 61 N -3.65 2.14 0.25 0.28 -0.14 -0.88 -4.85 119.74 112.89 1wx9 s LYS 61 Ca -0.01 0.09 0.12 0.00 -1.36 0.00 0.00 55.97 54.81 1wx9 s LYS 61 Cb 0.09 -2.00 -0.05 0.00 -1.68 0.00 0.00 37.83 34.19 1wx9 s LYS 61 CO 0.36 -1.45 -0.21 0.15 -0.76 0.00 0.00 175.35 173.45 1wx9 s LYS 62 N -5.48 1.60 0.07 1.68 1.02 -1.26 0.29 119.74 117.66 1wx9 s LYS 62 Ca 0.61 -1.68 -0.36 0.00 0.02 0.00 0.00 55.97 54.57 1wx9 s LYS 62 Cb -0.11 -1.75 -0.20 0.00 -0.52 0.00 0.00 37.83 35.25 1wx9 s LYS 62 CO 0.49 0.34 1.59 -0.07 -0.92 0.00 0.00 175.35 176.78 1wx9 h LEU 63 N 2.60 -1.01 -0.92 3.17 -0.00 -1.79 -2.86 115.31 114.50 1wx9 h LEU 63 Ca -0.42 0.04 0.16 0.00 -0.00 0.00 0.00 57.88 57.66 1wx9 h LEU 63 Cb 1.24 0.27 -0.16 0.00 -0.00 0.00 0.00 40.66 42.01 1wx9 h LEU 63 CO 0.56 -0.70 -0.32 -0.61 -0.00 0.00 0.00 178.44 177.37 1wx9 h GLN 64 N -1.14 -0.02 -1.00 1.13 4.15 -1.85 0.20 115.11 116.59 1wx9 h GLN 64 Ca -0.11 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.41 1wx9 h GLN 64 Cb 0.89 0.01 -0.13 0.00 0.21 0.00 0.00 27.48 28.45 1wx9 h GLN 64 CO 0.17 -0.01 -0.54 0.39 -1.93 0.00 0.00 178.83 176.90 1wx9 n GLU 65 N -5.51 -0.39 0.22 1.69 1.02 -1.09 0.18 120.64 116.75 1wx9 n GLU 65 Ca 0.11 1.51 0.07 0.00 -0.02 0.00 0.00 57.16 58.83 1wx9 n GLU 65 Cb 0.42 -2.23 0.52 0.00 -0.02 0.00 0.00 31.44 30.14 1wx9 n GLU 65 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1wx9 h TYR 66 N 0.00 0.00 -1.70 -0.32 0.05 -0.66 -3.47 116.97 110.88 1wx9 h TYR 66 Ca 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 1wx9 h TYR 66 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1wx9 h TYR 66 CO -0.99 0.22 -0.00 -1.71 -1.05 0.00 0.00 178.16 174.62 1wx9 n ASN 67 N -4.05 -2.01 -1.34 3.88 5.15 0.47 -4.94 115.26 112.42 1wx9 n ASN 67 Ca -0.02 -0.00 0.03 0.00 -0.60 0.00 0.00 54.58 53.99 1wx9 n ASN 67 Cb 0.29 -0.53 0.23 0.00 -0.53 0.00 0.00 39.78 39.25 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 -1.51 1.65 -1.78 3.44 0.24 -1.20 -4.82 118.33 114.35 1wx9 n VAL 68 Ca -0.00 -0.83 -0.42 0.00 -2.04 0.00 0.00 64.34 61.04 1wx9 n VAL 68 Cb 0.50 -0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 32.46 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 -0.45 1.17 -0.02 7.63 0.00 -1.26 -1.19 107.32 113.20 1wx9 s GLY 69 Ca 0.32 0.97 0.00 0.00 0.00 0.00 0.00 44.72 46.01 1wx9 s GLY 69 CO 0.09 3.42 0.00 0.61 0.00 0.00 0.00 173.10 177.22 1wx9 n GLY 70 N 4.84 0.15 3.97 0.20 0.00 0.23 -4.93 105.19 109.64 1wx9 n GLY 70 Ca 0.22 -0.00 -0.21 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 -1.50 2.56 -0.23 1.61 -0.14 -0.33 -4.85 119.74 116.85 1wx9 s LYS 71 Ca 0.00 -0.75 -0.07 0.00 -1.36 0.00 0.00 55.97 53.79 1wx9 s LYS 71 Cb 0.00 -2.48 -0.03 0.00 -1.68 0.00 0.00 37.83 33.64 1wx9 s LYS 71 CO 0.00 -0.71 0.04 0.08 -0.76 0.00 0.00 175.35 174.01 1wx9 s VAL 72 N -2.77 4.18 0.47 3.17 1.01 -1.26 -1.94 120.40 123.26 1wx9 s VAL 72 Ca 0.57 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.41 1wx9 s VAL 72 Cb -0.10 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.37 1wx9 s VAL 72 CO 0.39 0.37 0.64 -0.63 0.00 0.00 0.00 175.10 175.87 1wx9 s ILE 73 N 1.38 2.77 -0.43 2.22 1.01 -1.15 -4.95 121.20 122.07 1wx9 s ILE 73 Ca 0.05 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.76 1wx9 s ILE 73 Cb -0.15 -2.81 0.12 0.00 0.01 0.00 0.00 42.46 39.64 1wx9 s ILE 73 CO 0.02 0.00 0.19 -1.00 0.00 0.00 0.00 174.94 174.15 1wx9 s HIS 74 N -2.46 2.73 0.12 3.97 3.76 0.55 -1.49 115.29 122.46 1wx9 s HIS 74 Ca 0.57 -2.71 -0.22 0.00 -0.15 0.00 0.00 55.06 52.55 1wx9 s HIS 74 Cb -0.09 -2.41 -0.07 0.00 1.11 0.00 0.00 32.58 31.12 1wx9 s HIS 74 CO 0.35 -0.82 0.66 -1.17 -0.85 0.00 0.00 174.74 172.91 1wx9 s LEU 75 N 0.42 4.54 0.02 0.89 2.96 -1.16 -0.78 118.68 125.58 1wx9 s LEU 75 Ca 0.15 1.42 0.05 0.00 -0.22 0.00 0.00 54.13 55.53 1wx9 s LEU 75 Cb -0.23 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.35 1wx9 s LEU 75 CO -0.05 0.24 -0.15 0.68 -1.32 0.00 0.00 176.35 175.75 1wx9 s VAL 76 N -1.15 1.18 -0.20 1.68 -7.23 -1.11 -4.60 120.40 108.98 1wx9 s VAL 76 Ca 0.32 -0.87 -0.03 0.00 -1.81 0.00 0.00 61.98 59.59 1wx9 s VAL 76 Cb -0.21 -1.03 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 1wx9 s VAL 76 CO 0.22 0.15 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.42 1wx9 s GLU 77 N -0.82 3.45 0.21 4.82 2.12 -1.26 -2.73 118.70 124.49 1wx9 s GLU 77 Ca 0.04 -0.61 -0.31 0.00 0.36 0.00 0.00 54.97 54.45 1wx9 s GLU 77 Cb -0.07 -2.95 -0.11 0.00 0.26 0.00 0.00 34.13 31.26 1wx9 s GLU 77 CO 0.01 -0.05 1.62 1.03 -0.54 0.00 0.00 175.26 177.32 1wx9 s ARG 78 N 1.10 4.17 0.44 4.30 0.52 -1.15 -4.68 118.95 123.65 1wx9 s ARG 78 Ca 0.01 2.48 0.00 0.00 -0.52 0.00 0.00 55.73 57.70 1wx9 s ARG 78 Cb -0.15 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.22 1wx9 s ARG 78 CO -0.00 -0.65 0.00 0.00 0.02 0.00 0.00 175.30 174.67 1wx9 n ALA 79 N 3.57 -2.68 0.08 2.13 0.00 -1.26 -4.79 120.51 117.56 1wx9 n ALA 79 Ca 0.13 0.66 -0.06 0.00 0.00 0.00 0.00 53.44 54.17 1wx9 n ALA 79 Cb 0.37 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 1wx9 n ALA 79 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wx9 h PRO 80 N -1.00 -0.28 -7.36 0.00 0.13 -2.06 -3.46 132.00 117.97 1wx9 h PRO 80 Ca -0.14 0.02 -0.49 0.00 -0.87 0.00 0.00 66.00 64.52 1wx9 h PRO 80 Cb 0.98 0.06 0.12 0.00 0.13 0.00 0.00 31.00 32.29 1wx9 h PRO 80 CO 0.05 -0.09 0.31 0.45 -0.23 0.00 0.00 178.00 178.50 1wx9 s SER 81 N -5.27 4.32 -0.31 1.44 0.15 -1.26 -5.06 113.70 107.71 1wx9 s SER 81 Ca -0.07 1.50 -0.06 0.00 0.70 0.00 0.00 55.95 58.02 1wx9 s SER 81 Cb 0.00 -2.23 0.19 0.00 -1.71 0.00 0.00 66.02 62.27 1wx9 s SER 81 CO 0.22 -2.10 0.92 -0.83 1.20 0.00 0.00 173.24 172.65 1wx9 s GLY 82 N -3.66 -1.14 0.93 9.45 0.00 -1.26 -4.99 107.32 106.65 1wx9 s GLY 82 Ca 0.61 1.58 -0.13 0.00 0.00 0.00 0.00 44.72 46.78 1wx9 s GLY 82 CO 0.55 4.02 1.15 2.56 0.00 0.00 0.00 173.10 181.38 1wx9 s PRO 83 N 2.65 0.99 0.10 2.90 0.04 -1.26 -5.07 135.00 135.36 1wx9 s PRO 83 Ca 0.21 0.23 -0.25 0.00 0.04 0.00 0.00 61.00 61.23 1wx9 s PRO 83 Cb -0.03 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.77 1wx9 s PRO 83 CO -0.21 -2.29 0.72 0.45 0.04 0.00 0.00 177.00 175.71 1wx9 s SER 84 N -4.07 -0.48 -0.28 6.66 0.15 -1.26 -4.99 113.70 109.43 1wx9 s SER 84 Ca 0.65 -0.03 -0.01 0.00 0.70 0.00 0.00 55.95 57.26 1wx9 s SER 84 Cb -0.14 0.52 0.17 0.00 -1.71 0.00 0.00 66.02 64.87 1wx9 s SER 84 CO 0.53 -0.85 0.53 -0.94 1.20 0.00 0.00 173.24 173.71 1wx9 s SER 85 N -2.66 -0.90 0.00 5.45 1.04 -1.26 -5.27 113.70 110.10 1wx9 s SER 85 Ca 0.03 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1wx9 s SER 85 Cb -0.01 1.84 0.00 0.00 0.10 0.00 0.00 66.02 67.95 1wx9 s SER 85 CO -0.11 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.45