#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 -0.51 -0.30 1.61 1.04 -1.26 -5.15 113.70 109.13 1wx9 s SER 2 Ca 0.00 0.93 -0.16 0.00 0.48 0.00 0.00 55.95 57.21 1wx9 s SER 2 Cb 0.00 0.93 0.18 0.00 0.10 0.00 0.00 66.02 67.23 1wx9 s SER 2 CO 0.00 -0.20 1.13 -0.55 0.98 0.00 0.00 173.24 174.59 1wx9 s SER 3 N 0.09 -0.32 -0.62 7.02 0.15 -1.26 -5.04 113.70 113.73 1wx9 s SER 3 Ca 0.02 0.28 -0.12 0.00 0.70 0.00 0.00 55.95 56.83 1wx9 s SER 3 Cb -0.04 1.30 0.02 0.00 -1.71 0.00 0.00 66.02 65.58 1wx9 s SER 3 CO -0.04 -0.06 0.64 0.61 1.20 0.00 0.00 173.24 175.60 1wx9 n GLY 4 N 5.20 -1.00 3.51 9.45 0.00 -1.26 -5.03 105.19 116.06 1wx9 n GLY 4 Ca -0.08 0.86 -0.17 0.00 0.00 0.00 0.00 46.02 46.63 1wx9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx9 s SER 5 N -2.59 -0.64 0.36 1.61 0.01 -1.26 -5.14 113.70 106.04 1wx9 s SER 5 Ca 0.15 0.64 -0.28 0.00 1.31 0.00 0.00 55.95 57.76 1wx9 s SER 5 Cb -0.03 0.54 -0.11 0.00 0.21 0.00 0.00 66.02 66.63 1wx9 s SER 5 CO 0.81 -0.64 1.48 -1.54 0.41 0.00 0.00 173.24 173.76 1wx9 n SER 6 N 0.77 3.64 0.00 2.44 3.41 -1.26 -4.96 113.62 117.66 1wx9 n SER 6 Ca -0.19 1.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 1wx9 n SER 6 Cb 0.58 -1.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1wx9 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wx9 n GLY 7 N 0.82 3.31 3.76 5.00 0.00 -1.26 -5.00 105.19 111.81 1wx9 n GLY 7 Ca 0.03 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 4.37 0.22 0.99 0.20 -0.22 -4.90 118.68 119.33 1wx9 s LEU 8 Ca 0.00 1.01 -0.15 0.00 0.69 0.00 0.00 54.13 55.67 1wx9 s LEU 8 Cb 0.00 -2.80 -0.08 0.00 -0.43 0.00 0.00 46.19 42.88 1wx9 s LEU 8 CO 0.00 0.09 0.64 -0.70 -0.29 0.00 0.00 176.35 176.08 1wx9 s GLU 9 N 0.03 4.04 -0.14 1.98 2.12 -1.26 -1.10 118.70 124.37 1wx9 s GLU 9 Ca 0.28 0.60 -0.07 0.00 0.36 0.00 0.00 54.97 56.15 1wx9 s GLU 9 Cb -0.17 -2.77 0.06 0.00 0.26 0.00 0.00 34.13 31.50 1wx9 s GLU 9 CO 0.14 0.37 0.33 0.08 -0.54 0.00 0.00 175.26 175.64 1wx9 s VAL 10 N -1.64 -0.08 0.33 3.70 1.01 0.35 -1.16 120.40 122.92 1wx9 s VAL 10 Ca 0.44 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.63 1wx9 s VAL 10 Cb -0.14 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1wx9 s VAL 10 CO 0.20 0.05 0.28 -0.76 0.00 0.00 0.00 175.10 174.87 1wx9 s LEU 11 N 1.45 3.57 -0.16 3.92 1.02 -0.97 0.16 118.68 127.68 1wx9 s LEU 11 Ca -0.09 -0.51 -0.08 0.00 0.02 0.00 0.00 54.13 53.47 1wx9 s LEU 11 Cb -0.10 -2.18 0.06 0.00 0.02 0.00 0.00 46.19 44.00 1wx9 s LEU 11 CO -0.11 -0.34 0.37 -0.69 0.02 0.00 0.00 176.35 175.60 1wx9 s VAL 12 N -2.31 -0.16 0.13 -1.59 1.01 -0.92 -2.76 120.40 113.79 1wx9 s VAL 12 Ca 0.40 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.56 1wx9 s VAL 12 Cb -0.06 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1wx9 s VAL 12 CO 0.26 0.05 0.08 -0.75 0.00 0.00 0.00 175.10 174.74 1wx9 s LYS 13 N 1.65 2.77 0.00 2.72 2.20 -0.36 -2.11 119.74 126.61 1wx9 s LYS 13 Ca -0.07 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.69 1wx9 s LYS 13 Cb -0.10 -2.61 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 1wx9 s LYS 13 CO -0.12 0.51 0.00 0.25 -0.36 0.00 0.00 175.35 175.64 1wx9 n THR 14 N 0.08 0.00 0.21 3.43 -2.24 -1.25 -2.58 114.28 111.93 1wx9 n THR 14 Ca -0.09 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.79 1wx9 n THR 14 Cb 0.53 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 69.01 1wx9 n THR 14 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1wx9 h LEU 15 N 0.00 0.00 -0.92 3.22 4.07 -1.95 -2.64 115.31 117.10 1wx9 h LEU 15 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1wx9 h LEU 15 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1wx9 h LEU 15 CO 0.00 0.16 0.00 -0.67 -1.08 0.00 0.00 178.44 176.85 1wx9 n ASP 16 N -3.17 1.36 -3.65 -0.43 2.03 -1.26 -4.89 116.55 106.53 1wx9 n ASP 16 Ca 0.02 -1.76 -0.24 0.00 0.52 0.00 0.00 54.79 53.33 1wx9 n ASP 16 Cb 0.54 -0.12 0.07 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.16 -5.03 -4.20 1.67 2.88 -0.99 -4.95 113.62 103.16 1wx9 n SER 17 Ca 0.13 -0.63 -0.40 0.00 -1.33 0.00 0.00 58.87 56.65 1wx9 n SER 17 Cb 0.26 -4.72 -0.08 0.00 -0.75 0.00 0.00 64.21 58.91 1wx9 n SER 17 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1wx9 s GLN 18 N -6.22 2.52 -0.09 -1.46 -0.21 -1.26 -4.88 119.66 108.06 1wx9 s GLN 18 Ca 0.48 -1.93 -0.24 0.00 0.02 0.00 0.00 55.36 53.70 1wx9 s GLN 18 Cb -0.22 -3.90 -0.03 0.00 1.00 0.00 0.00 33.01 29.85 1wx9 s GLN 18 CO 0.76 -1.19 0.71 0.99 -2.12 0.00 0.00 175.29 174.44 1wx9 s THR 19 N 1.06 5.02 -0.08 -0.19 2.01 -1.26 -3.84 115.64 118.37 1wx9 s THR 19 Ca 0.08 1.46 0.03 0.00 0.31 0.00 0.00 61.69 63.57 1wx9 s THR 19 Cb -0.24 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.23 1wx9 s THR 19 CO -0.02 0.21 -0.16 -0.13 -0.69 0.00 0.00 174.62 173.84 1wx9 s ARG 20 N 1.03 2.08 0.18 4.92 0.52 -0.90 -4.93 118.95 121.86 1wx9 s ARG 20 Ca 0.37 -0.54 -0.25 0.00 -0.52 0.00 0.00 55.73 54.78 1wx9 s ARG 20 Cb -0.17 -1.66 -0.08 0.00 0.52 0.00 0.00 34.95 33.55 1wx9 s ARG 20 CO 0.17 0.07 0.79 0.99 0.02 0.00 0.00 175.30 177.34 1wx9 s THR 21 N 0.58 4.35 -0.02 0.02 2.01 -1.26 -2.17 115.64 119.15 1wx9 s THR 21 Ca -0.16 1.71 0.02 0.00 0.31 0.00 0.00 61.69 63.57 1wx9 s THR 21 Cb -0.16 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.22 1wx9 s THR 21 CO 0.05 0.48 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.03 1wx9 s PHE 22 N -1.21 0.69 -0.39 4.92 0.08 0.42 -4.95 117.98 117.56 1wx9 s PHE 22 Ca 0.37 -0.15 -0.05 0.00 0.12 0.00 0.00 56.93 57.22 1wx9 s PHE 22 Cb -0.23 -0.50 0.08 0.00 -0.57 0.00 0.00 43.02 41.81 1wx9 s PHE 22 CO 0.26 -0.06 0.18 0.42 -0.10 0.00 0.00 175.22 175.92 1wx9 s ILE 23 N 0.13 3.61 0.24 0.64 -1.09 -1.26 0.13 121.20 123.60 1wx9 s ILE 23 Ca -0.01 -1.62 0.06 0.00 -2.23 0.00 0.00 60.65 56.85 1wx9 s ILE 23 Cb -0.06 -3.26 -0.05 0.00 -1.58 0.00 0.00 42.46 37.50 1wx9 s ILE 23 CO -0.00 -0.47 -0.07 0.68 -1.23 0.00 0.00 174.94 173.85 1wx9 s VAL 24 N 1.29 1.47 -0.06 2.92 -7.23 -0.26 -4.92 120.40 113.60 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 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1wx9 s VAL 24 CO -0.01 -0.41 1.37 -0.83 -0.31 0.00 0.00 175.10 174.91 1wx9 s GLY 25 N -3.36 1.80 0.34 2.32 0.00 -1.26 -1.06 107.32 106.10 1wx9 s GLY 25 Ca 0.26 0.74 0.13 0.00 0.00 0.00 0.00 44.72 45.86 1wx9 s GLY 25 CO 0.09 2.53 1.62 0.00 0.00 0.00 0.00 173.10 177.34 1wx9 h ALA 26 N 8.10 1.84 -0.73 3.20 0.00 -1.94 1.44 119.26 131.18 1wx9 h ALA 26 Ca -0.35 0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1wx9 h ALA 26 Cb 1.16 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 1wx9 h ALA 26 CO 0.92 -0.69 0.38 1.96 0.00 0.00 0.00 179.25 181.82 1wx9 h GLN 27 N 0.16 0.63 -5.17 0.00 4.20 -2.01 -3.35 115.11 109.57 1wx9 h GLN 27 Ca 0.73 -0.04 -0.50 0.00 0.06 0.00 0.00 58.65 58.91 1wx9 h GLN 27 Cb 1.74 -0.14 0.18 0.00 0.30 0.00 0.00 27.48 29.56 1wx9 h GLN 27 CO -0.71 0.42 -1.26 -0.12 -0.67 0.00 0.00 178.83 176.49 1wx9 n MET 28 N -4.83 0.00 -4.12 1.46 1.56 0.49 -4.88 117.12 106.80 1wx9 n MET 28 Ca 0.11 0.00 -0.22 0.00 -0.27 0.00 0.00 57.70 57.32 1wx9 n MET 28 Cb 0.26 -0.86 -0.05 0.00 2.15 0.00 0.00 33.22 34.71 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 -0.86 5.18 0.13 6.12 4.22 -1.26 -3.90 114.94 124.57 1wx9 s ASN 29 Ca 0.43 -0.42 -0.29 0.00 -2.14 0.00 0.00 52.86 50.44 1wx9 s ASN 29 Cb -0.31 -1.16 -0.06 0.00 1.28 0.00 0.00 41.25 41.01 1wx9 s ASN 29 CO 0.63 -0.09 1.59 0.58 -2.04 0.00 0.00 177.10 177.77 1wx9 h VAL 30 N 1.56 0.17 -0.71 3.54 2.07 -0.01 0.53 116.25 123.40 1wx9 h VAL 30 Ca -0.47 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.17 1wx9 h VAL 30 Cb 1.24 0.17 -0.13 0.00 -1.52 0.00 0.00 31.29 31.06 1wx9 h VAL 30 CO 0.60 0.00 -0.37 0.50 0.02 0.00 0.00 177.57 178.32 1wx9 h LYS 31 N -0.51 -0.12 0.48 1.57 3.64 -1.62 0.34 116.57 120.35 1wx9 h LYS 31 Ca 0.07 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1wx9 h LYS 31 Cb 0.62 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1wx9 h LYS 31 CO -0.36 -0.08 -0.35 0.93 -2.27 0.00 0.00 179.45 177.32 1wx9 h GLU 32 N -0.12 -0.78 -1.14 1.90 5.08 -1.52 -1.82 114.58 116.18 1wx9 h GLU 32 Ca 0.25 0.05 0.33 0.00 -1.00 0.00 0.00 59.36 59.00 1wx9 h GLU 32 Cb 0.56 0.18 -0.11 0.00 0.50 0.00 0.00 28.75 29.88 1wx9 h GLU 32 CO -0.77 -0.52 0.73 0.35 -1.00 0.00 0.00 179.01 177.79 1wx9 h PHE 33 N -0.81 0.62 -0.21 4.33 3.57 0.17 0.64 116.94 125.26 1wx9 h PHE 33 Ca -0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1wx9 h PHE 33 Cb 0.69 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1wx9 h PHE 33 CO -0.14 -0.05 0.06 0.87 -2.23 0.00 0.00 178.31 176.82 1wx9 h LYS 34 N 0.27 0.32 -0.75 1.11 1.57 0.40 -1.45 116.57 118.06 1wx9 h LYS 34 Ca 0.69 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.38 1wx9 h LYS 34 Cb 1.91 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 34.14 1wx9 h LYS 34 CO -0.36 0.42 0.40 0.93 -0.57 0.00 0.00 179.45 180.27 1wx9 h GLU 35 N 0.16 1.04 0.10 3.15 5.08 0.77 1.45 114.58 126.33 1wx9 h GLU 35 Ca 0.07 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1wx9 h GLU 35 Cb 0.24 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1wx9 h GLU 35 CO -0.00 0.77 -0.07 1.25 -1.00 0.00 0.00 179.01 179.96 1wx9 h HIS 36 N 1.04 -0.17 -0.02 4.33 2.76 -0.55 -2.43 115.15 120.10 1wx9 h HIS 36 Ca 0.26 -0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.28 1wx9 h HIS 36 Cb 0.04 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 1wx9 h HIS 36 CO 0.01 -0.11 -0.68 -0.84 -1.30 0.00 0.00 177.93 175.01 1wx9 h ILE 37 N -0.17 1.46 -1.76 6.26 3.07 -0.89 -3.06 117.51 122.42 1wx9 h ILE 37 Ca -0.01 -2.25 0.53 0.00 1.55 0.00 0.00 64.86 64.68 1wx9 h ILE 37 Cb 0.14 2.20 -0.09 0.00 -0.27 0.00 0.00 36.82 38.80 1wx9 h ILE 37 CO 0.00 0.65 1.23 0.00 -1.05 0.00 0.00 178.15 178.99 1wx9 h ALA 38 N 1.23 3.52 0.25 0.16 0.00 0.25 1.44 119.26 126.10 1wx9 h ALA 38 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wx9 h ALA 38 Cb 1.21 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1wx9 h ALA 38 CO 0.10 -2.11 -0.12 0.00 0.00 0.00 0.00 179.25 177.12 1wx9 h ALA 39 N 1.21 -0.33 0.46 0.00 0.00 -1.51 0.46 119.26 119.54 1wx9 h ALA 39 Ca 0.90 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.59 1wx9 h ALA 39 Cb 3.40 0.13 0.00 0.00 0.00 0.00 0.00 17.79 21.32 1wx9 h ALA 39 CO -0.14 -0.45 -0.22 0.77 0.00 0.00 0.00 179.25 179.20 1wx9 h SER 40 N -0.80 -0.52 -0.58 0.00 0.02 0.14 -3.04 113.55 108.77 1wx9 h SER 40 Ca -0.03 0.02 0.15 0.00 -0.84 0.00 0.00 61.79 61.08 1wx9 h SER 40 Cb 0.51 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1wx9 h SER 40 CO 0.06 -0.27 0.41 -0.37 -1.14 0.00 0.00 176.83 175.52 1wx9 h VAL 41 N -0.83 0.75 -0.33 2.27 -1.51 0.24 -3.45 116.25 113.40 1wx9 h VAL 41 Ca -0.06 -0.04 -0.13 0.00 -1.23 0.00 0.00 66.70 65.25 1wx9 h VAL 41 Cb 0.47 0.64 -0.05 0.00 -2.13 0.00 0.00 31.29 30.23 1wx9 h VAL 41 CO 0.10 0.02 -0.12 -0.24 -1.23 0.00 0.00 177.57 176.11 1wx9 n SER 42 N -4.40 -3.66 -4.41 4.19 2.88 0.16 -5.01 113.62 103.36 1wx9 n SER 42 Ca 0.11 0.14 -0.31 0.00 -1.33 0.00 0.00 58.87 57.47 1wx9 n SER 42 Cb 0.58 -1.78 -0.14 0.00 -0.75 0.00 0.00 64.21 62.12 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 -2.23 2.61 0.36 2.46 1.01 -0.83 -4.97 121.20 119.61 1wx9 s ILE 43 Ca 0.00 -1.01 -0.26 0.00 0.00 0.00 0.00 60.65 59.38 1wx9 s ILE 43 Cb 0.00 -2.01 -0.09 0.00 0.01 0.00 0.00 42.46 40.37 1wx9 s ILE 43 CO 0.00 0.51 1.06 -2.16 0.00 0.00 0.00 174.94 174.35 1wx9 s PRO 44 N -0.91 4.31 0.27 2.79 0.04 -1.26 -4.02 135.00 136.21 1wx9 s PRO 44 Ca 0.12 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1wx9 s PRO 44 Cb -0.10 -2.74 0.56 0.00 0.04 0.00 0.00 34.50 32.25 1wx9 s PRO 44 CO 0.01 -0.03 1.78 0.66 0.04 0.00 0.00 177.00 179.46 1wx9 h SER 45 N 2.90 0.65 0.10 6.66 4.64 -1.92 1.01 113.55 127.59 1wx9 h SER 45 Ca -0.48 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1wx9 h SER 45 Cb 1.21 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1wx9 h SER 45 CO 0.64 0.29 0.00 -1.84 -0.87 0.00 0.00 176.83 175.04 1wx9 n GLU 46 N -4.80 0.12 -0.00 4.77 0.28 -1.26 -0.25 120.64 119.49 1wx9 n GLU 46 Ca 0.18 0.59 0.07 0.00 -0.16 0.00 0.00 57.16 57.84 1wx9 n GLU 46 Cb 0.43 -1.88 -0.10 0.00 1.43 0.00 0.00 31.44 31.32 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 -2.14 1.09 -1.68 3.44 5.02 0.32 -5.00 118.16 119.21 1wx9 n LYS 47 Ca -0.01 -0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 55.90 1wx9 n LYS 47 Cb 0.06 -1.27 0.08 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.76 2.20 -0.42 1.97 -0.21 0.83 -3.14 119.66 118.14 1wx9 s GLN 48 Ca -0.02 0.49 0.01 0.00 0.02 0.00 0.00 55.36 55.87 1wx9 s GLN 48 Cb 0.09 -1.94 0.23 0.00 1.00 0.00 0.00 33.01 32.40 1wx9 s GLN 48 CO 0.58 -1.51 1.01 -2.13 -2.12 0.00 0.00 175.29 171.12 1wx9 n ARG 49 N -3.33 0.39 -1.70 2.91 0.63 -1.11 -4.96 116.66 109.49 1wx9 n ARG 49 Ca 0.07 -1.28 -0.44 0.00 -0.92 0.00 0.00 57.85 55.29 1wx9 n ARG 49 Cb 0.57 -0.75 -0.03 0.00 0.45 0.00 0.00 32.46 32.71 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 2.08 3.63 -3.81 6.15 4.77 -1.26 -3.21 117.00 125.35 1wx9 n LEU 50 Ca 0.09 1.12 -0.20 0.00 -0.03 0.00 0.00 56.01 57.00 1wx9 n LEU 50 Cb 0.64 -1.50 -0.17 0.00 -2.33 0.00 0.00 43.42 40.06 1wx9 n LEU 50 CO -0.06 -0.16 -0.38 -0.63 -1.33 0.00 0.00 177.39 174.83 1wx9 s ILE 51 N 0.29 0.31 -0.19 -0.08 1.01 0.09 0.48 121.20 123.11 1wx9 s ILE 51 Ca 0.70 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 61.39 1wx9 s ILE 51 Cb -0.59 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1wx9 s ILE 51 CO 0.45 0.20 -0.12 -0.47 0.00 0.00 0.00 174.94 175.01 1wx9 s TYR 52 N 1.35 2.86 0.00 3.97 6.14 -0.28 0.25 117.35 131.64 1wx9 s TYR 52 Ca -0.05 -1.13 0.00 0.00 0.64 0.00 0.00 57.07 56.53 1wx9 s TYR 52 Cb -0.13 -1.99 0.00 0.00 0.42 0.00 0.00 41.96 40.26 1wx9 s TYR 52 CO -0.02 -0.58 0.00 1.04 0.64 0.00 0.00 175.55 176.63 1wx9 n GLN 53 N 4.50 0.00 -1.00 4.97 1.13 -1.26 -2.04 117.38 123.68 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 -0.35 2.91 1.08 0.00 -1.26 -5.13 105.19 102.43 1wx9 n GLY 54 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 0.12 -0.15 1.61 0.52 -0.86 -5.13 118.95 115.07 1wx9 s ARG 55 Ca 0.01 -0.16 -0.29 0.00 -0.52 0.00 0.00 55.73 54.77 1wx9 s ARG 55 Cb 0.03 -0.03 -0.01 0.00 0.52 0.00 0.00 34.95 35.46 1wx9 s ARG 55 CO -0.01 0.00 1.01 0.54 0.02 0.00 0.00 175.30 176.87 1wx9 s VAL 56 N -0.33 4.76 -0.34 3.52 0.11 -1.26 -1.13 120.40 125.72 1wx9 s VAL 56 Ca -0.03 2.02 -0.29 0.00 -2.93 0.00 0.00 61.98 60.75 1wx9 s VAL 56 Cb -0.02 -4.31 0.01 0.00 -1.53 0.00 0.00 36.38 30.53 1wx9 s VAL 56 CO -0.00 -0.05 1.31 -0.76 -3.33 0.00 0.00 175.10 172.26 1wx9 s LEU 57 N 2.39 3.79 0.87 2.54 1.43 0.18 -4.98 118.68 124.90 1wx9 s LEU 57 Ca 0.47 1.05 -0.14 0.00 -1.03 0.00 0.00 54.13 54.47 1wx9 s LEU 57 Cb -0.17 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1wx9 s LEU 57 CO 0.14 -1.18 0.31 0.00 0.23 0.00 0.00 176.35 175.85 1wx9 n GLN 58 N 7.53 -0.05 0.00 1.70 3.00 -1.26 -4.58 117.38 123.72 1wx9 n GLN 58 Ca 0.15 0.03 0.13 0.00 -0.01 0.00 0.00 57.00 57.29 1wx9 n GLN 58 Cb 0.47 -1.74 0.32 0.00 0.00 0.00 0.00 30.24 29.29 1wx9 n GLN 58 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1wx9 n ASP 59 N -0.38 0.87 -0.03 1.08 8.00 -1.26 -3.61 116.55 121.23 1wx9 n ASP 59 Ca 0.07 -0.70 0.07 0.00 0.71 0.00 0.00 54.79 54.94 1wx9 n ASP 59 Cb 0.52 0.19 -0.17 0.00 -0.02 0.00 0.00 41.12 41.65 1wx9 n ASP 59 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1wx9 n ASP 60 N -0.93 0.08 -4.85 -2.24 8.00 -1.26 -2.03 116.55 113.32 1wx9 n ASP 60 Ca 0.10 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.30 1wx9 n ASP 60 Cb 0.35 1.80 0.09 0.00 -0.02 0.00 0.00 41.12 43.34 1wx9 n ASP 60 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wx9 s LYS 61 N -3.30 1.95 0.20 -1.24 -0.14 -1.24 -4.78 119.74 111.18 1wx9 s LYS 61 Ca -0.08 0.34 0.09 0.00 -1.36 0.00 0.00 55.97 54.96 1wx9 s LYS 61 Cb 0.12 -1.93 -0.04 0.00 -1.68 0.00 0.00 37.83 34.30 1wx9 s LYS 61 CO 0.88 -1.65 -0.07 0.15 -0.76 0.00 0.00 175.35 173.90 1wx9 s LYS 62 N -5.36 2.15 0.07 1.68 1.02 -1.26 0.62 119.74 118.65 1wx9 s LYS 62 Ca 0.61 -1.28 -0.35 0.00 0.02 0.00 0.00 55.97 54.97 1wx9 s LYS 62 Cb -0.13 -2.18 -0.20 0.00 -0.52 0.00 0.00 37.83 34.80 1wx9 s LYS 62 CO 0.52 0.42 1.60 -0.07 -0.92 0.00 0.00 175.35 176.90 1wx9 h LEU 63 N 2.68 -0.98 -0.96 3.17 -0.00 -1.78 -2.60 115.31 114.84 1wx9 h LEU 63 Ca -0.46 0.04 0.28 0.00 -0.00 0.00 0.00 57.88 57.73 1wx9 h LEU 63 Cb 1.21 0.26 -0.18 0.00 -0.00 0.00 0.00 40.66 41.95 1wx9 h LEU 63 CO 0.56 -0.69 0.07 1.67 -0.00 0.00 0.00 178.44 180.05 1wx9 n GLN 64 N -5.58 -0.07 -0.07 1.13 7.27 -1.26 0.75 117.38 119.55 1wx9 n GLN 64 Ca -0.15 1.43 -0.09 0.00 0.07 0.00 0.00 57.00 58.26 1wx9 n GLN 64 Cb 0.45 -2.30 -0.03 0.00 2.41 0.00 0.00 30.24 30.77 1wx9 n GLN 64 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1wx9 h GLU 65 N 0.00 -0.31 0.00 3.69 4.39 -1.79 0.55 114.58 121.11 1wx9 h GLU 65 Ca 0.61 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.33 1wx9 h GLU 65 Cb 1.30 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1wx9 h GLU 65 CO -0.89 -0.20 0.00 0.66 -1.16 0.00 0.00 179.01 177.42 1wx9 n TYR 66 N -5.41 0.77 -3.36 4.33 4.01 0.23 -4.88 117.16 112.84 1wx9 n TYR 66 Ca -0.01 0.32 -0.16 0.00 -0.16 0.00 0.00 57.90 57.88 1wx9 n TYR 66 Cb 0.33 -1.01 0.08 0.00 -0.31 0.00 0.00 39.34 38.44 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 -2.22 -2.27 -1.61 7.72 3.02 0.19 -4.88 115.26 115.21 1wx9 n ASN 67 Ca 0.02 -0.58 -0.07 0.00 -0.03 0.00 0.00 54.58 53.92 1wx9 n ASN 67 Cb 0.20 -4.87 0.18 0.00 -0.61 0.00 0.00 39.78 34.67 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 -4.01 2.13 -1.90 2.41 0.24 -1.23 -4.83 118.33 111.13 1wx9 n VAL 68 Ca -0.26 -1.08 -0.43 0.00 -2.04 0.00 0.00 64.34 60.54 1wx9 n VAL 68 Cb 0.65 -0.54 -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 -0.47 1.05 0.00 7.63 0.00 -1.26 -1.55 107.32 112.72 1wx9 s GLY 69 Ca 0.36 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.75 1wx9 s GLY 69 CO 0.08 3.31 0.00 0.61 0.00 0.00 0.00 173.10 177.10 1wx9 n GLY 70 N 4.98 0.29 3.94 0.20 0.00 -0.31 -4.96 105.19 109.34 1wx9 n GLY 70 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.94 2.63 -0.25 1.61 -0.14 -0.60 -4.87 119.74 117.18 1wx9 s LYS 71 Ca 0.00 -0.39 -0.06 0.00 -1.36 0.00 0.00 55.97 54.16 1wx9 s LYS 71 Cb 0.00 -2.36 -0.02 0.00 -1.68 0.00 0.00 37.83 33.78 1wx9 s LYS 71 CO 0.00 -0.78 0.04 0.08 -0.76 0.00 0.00 175.35 173.93 1wx9 s VAL 72 N -2.92 4.01 0.55 3.17 1.01 -1.26 -2.28 120.40 122.67 1wx9 s VAL 72 Ca 0.56 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.22 1wx9 s VAL 72 Cb -0.10 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.42 1wx9 s VAL 72 CO 0.42 0.31 0.76 -0.63 0.00 0.00 0.00 175.10 175.96 1wx9 s ILE 73 N 1.56 2.59 -0.45 2.22 1.01 -1.11 -4.87 121.20 122.15 1wx9 s ILE 73 Ca 0.05 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1wx9 s ILE 73 Cb -0.15 -2.81 0.13 0.00 0.01 0.00 0.00 42.46 39.63 1wx9 s ILE 73 CO 0.02 0.00 0.22 -1.00 0.00 0.00 0.00 174.94 174.18 1wx9 s HIS 74 N -2.71 2.53 0.31 3.97 3.76 0.14 -1.22 115.29 122.06 1wx9 s HIS 74 Ca 0.59 -2.69 -0.18 0.00 -0.15 0.00 0.00 55.06 52.63 1wx9 s HIS 74 Cb -0.09 -2.29 -0.09 0.00 1.11 0.00 0.00 32.58 31.22 1wx9 s HIS 74 CO 0.38 -0.79 0.78 -1.17 -0.85 0.00 0.00 174.74 173.09 1wx9 s LEU 75 N 0.27 4.16 0.01 0.89 2.96 -1.06 -0.74 118.68 125.17 1wx9 s LEU 75 Ca 0.16 1.43 0.01 0.00 -0.22 0.00 0.00 54.13 55.52 1wx9 s LEU 75 Cb -0.24 -3.98 -0.01 0.00 0.50 0.00 0.00 46.19 42.46 1wx9 s LEU 75 CO -0.02 -0.14 -0.05 0.68 -1.32 0.00 0.00 176.35 175.50 1wx9 s VAL 76 N -1.83 0.33 -0.15 1.68 -7.23 -1.20 -4.65 120.40 107.36 1wx9 s VAL 76 Ca 0.51 -0.48 -0.01 0.00 -1.81 0.00 0.00 61.98 60.19 1wx9 s VAL 76 Cb -0.13 -0.34 -0.01 0.00 0.56 0.00 0.00 36.38 36.46 1wx9 s VAL 76 CO 0.18 -0.11 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.04 1wx9 s GLU 77 N -0.64 3.35 0.98 4.82 -6.30 -1.26 -2.74 118.70 116.92 1wx9 s GLU 77 Ca -0.04 -0.69 -0.15 0.00 -2.50 0.00 0.00 54.97 51.59 1wx9 s GLU 77 Cb -0.05 -2.69 -0.02 0.00 0.00 0.00 0.00 34.13 31.37 1wx9 s GLU 77 CO -0.00 0.11 -0.09 0.54 0.02 0.00 0.00 175.26 175.84 1wx9 n ARG 78 N 3.83 -0.32 -4.00 4.30 1.74 -1.19 -5.02 116.66 116.00 1wx9 n ARG 78 Ca -0.18 -0.07 -0.08 0.00 -0.77 0.00 0.00 57.85 56.75 1wx9 n ARG 78 Cb 0.52 -1.54 -0.09 0.00 -1.02 0.00 0.00 32.46 30.32 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 -2.24 0.20 -0.84 7.54 0.00 -1.26 -5.09 121.76 120.07 1wx9 s ALA 79 Ca 0.51 -0.88 -0.25 0.00 0.00 0.00 0.00 51.96 51.34 1wx9 s ALA 79 Cb -0.18 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1wx9 s ALA 79 CO 0.72 -0.36 1.64 -1.25 0.00 0.00 0.00 175.76 176.50 1wx9 s PRO 80 N -3.37 3.00 -0.57 0.00 0.04 -1.26 -4.94 135.00 127.91 1wx9 s PRO 80 Ca 0.02 -0.32 -0.28 0.00 0.04 0.00 0.00 61.00 60.45 1wx9 s PRO 80 Cb 0.04 -4.80 0.03 0.00 0.04 0.00 0.00 34.50 29.80 1wx9 s PRO 80 CO -0.08 -2.63 1.25 0.45 0.04 0.00 0.00 177.00 176.02 1wx9 s SER 81 N 6.23 6.38 0.00 6.66 0.15 -1.26 -4.69 113.70 127.17 1wx9 s SER 81 Ca 0.55 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1wx9 s SER 81 Cb -0.06 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1wx9 s SER 81 CO 0.05 -1.53 0.00 0.61 1.20 0.00 0.00 173.24 173.57 1wx9 n GLY 82 N 5.10 1.04 3.57 9.45 0.00 -1.26 -5.06 105.19 118.03 1wx9 n GLY 82 Ca 0.10 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 3.17 -0.23 1.61 0.04 -1.26 -4.84 135.00 133.48 1wx9 s PRO 83 Ca 0.00 -1.14 -0.03 0.00 0.04 0.00 0.00 61.00 59.87 1wx9 s PRO 83 Cb 0.00 -5.30 0.12 0.00 0.04 0.00 0.00 34.50 29.36 1wx9 s PRO 83 CO 0.00 -2.93 0.34 0.45 0.04 0.00 0.00 177.00 174.89 1wx9 s SER 84 N 5.92 0.53 -0.13 6.66 0.15 -1.26 -5.13 113.70 120.44 1wx9 s SER 84 Ca 0.59 0.12 -0.01 0.00 0.70 0.00 0.00 55.95 57.35 1wx9 s SER 84 Cb -0.01 0.93 0.03 0.00 -1.71 0.00 0.00 66.02 65.27 1wx9 s SER 84 CO 0.02 -0.31 -0.05 -0.94 1.20 0.00 0.00 173.24 173.17 1wx9 s SER 85 N 2.49 2.41 0.00 5.45 1.04 -1.26 -5.23 113.70 118.60 1wx9 s SER 85 Ca 0.11 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1wx9 s SER 85 Cb -0.16 -0.79 0.00 0.00 0.10 0.00 0.00 66.02 65.17 1wx9 s SER 85 CO -0.15 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.51