#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 2.52 0.04 1.61 0.01 -1.26 -4.81 113.70 111.82 1wx9 s SER 2 Ca 0.00 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.81 1wx9 s SER 2 Cb 0.00 -0.90 -0.02 0.00 0.21 0.00 0.00 66.02 65.30 1wx9 s SER 2 CO 0.00 -0.14 -0.09 -0.44 0.41 0.00 0.00 173.24 172.97 1wx9 s SER 3 N 1.65 1.06 0.00 2.44 0.01 -1.26 -5.15 113.70 112.45 1wx9 s SER 3 Ca 0.03 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1wx9 s SER 3 Cb -0.14 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1wx9 s SER 3 CO -0.08 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1wx9 n GLY 4 N 1.56 1.87 0.77 3.44 0.00 -1.26 -4.53 105.19 107.04 1wx9 n GLY 4 Ca -0.21 -0.65 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 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 1.08 0.00 1.61 7.64 -1.26 -5.07 113.62 117.62 1wx9 n SER 5 Ca 0.00 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1wx9 n SER 5 Cb 0.00 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1wx9 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wx9 n SER 6 N -3.63 0.00 0.00 6.43 7.64 -1.26 -5.15 113.62 117.65 1wx9 n SER 6 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1wx9 n SER 6 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1wx9 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wx9 n GLY 7 N -0.17 0.38 3.76 0.23 0.00 -1.26 -4.66 105.19 103.47 1wx9 n GLY 7 Ca 0.00 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 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 0.18 0.99 0.20 0.23 -4.88 118.68 119.77 1wx9 s LEU 8 Ca 0.00 0.94 -0.17 0.00 0.69 0.00 0.00 54.13 55.59 1wx9 s LEU 8 Cb 0.00 -2.72 -0.08 0.00 -0.43 0.00 0.00 46.19 42.97 1wx9 s LEU 8 CO 0.00 0.12 0.64 -0.70 -0.29 0.00 0.00 176.35 176.11 1wx9 s GLU 9 N -0.05 4.13 -0.10 1.98 2.12 -1.26 -0.79 118.70 124.73 1wx9 s GLU 9 Ca 0.26 0.70 -0.05 0.00 0.36 0.00 0.00 54.97 56.24 1wx9 s GLU 9 Cb -0.16 -2.93 0.05 0.00 0.26 0.00 0.00 34.13 31.34 1wx9 s GLU 9 CO 0.13 0.45 0.23 0.08 -0.54 0.00 0.00 175.26 175.60 1wx9 s VAL 10 N -1.46 -0.08 0.39 3.70 1.01 0.50 0.64 120.40 125.10 1wx9 s VAL 10 Ca 0.40 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.62 1wx9 s VAL 10 Cb -0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 1wx9 s VAL 10 CO 0.20 0.07 0.45 -0.76 0.00 0.00 0.00 175.10 175.06 1wx9 s LEU 11 N 1.37 3.63 -0.22 3.92 1.02 -0.77 0.15 118.68 127.77 1wx9 s LEU 11 Ca -0.08 -0.49 -0.10 0.00 0.02 0.00 0.00 54.13 53.48 1wx9 s LEU 11 Cb -0.11 -2.42 0.09 0.00 0.02 0.00 0.00 46.19 43.77 1wx9 s LEU 11 CO -0.08 -0.60 0.51 -0.69 0.02 0.00 0.00 176.35 175.51 1wx9 s VAL 12 N -2.35 -0.40 -0.22 -1.59 1.01 -0.92 -2.82 120.40 113.11 1wx9 s VAL 12 Ca 0.49 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 1wx9 s VAL 12 Cb -0.07 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1wx9 s VAL 12 CO 0.30 0.04 -0.08 -0.75 0.00 0.00 0.00 175.10 174.61 1wx9 s LYS 13 N 2.12 3.22 0.69 2.72 2.20 -0.50 -1.55 119.74 128.65 1wx9 s LYS 13 Ca -0.06 -0.71 -0.06 0.00 -0.36 0.00 0.00 55.97 54.78 1wx9 s LYS 13 Cb -0.10 -2.91 0.07 0.00 -1.51 0.00 0.00 37.83 33.38 1wx9 s LYS 13 CO -0.15 -0.23 0.99 0.95 -0.36 0.00 0.00 175.35 176.55 1wx9 s THR 14 N 1.42 2.31 -0.95 3.43 -4.23 -1.07 -3.15 115.64 113.40 1wx9 s THR 14 Ca 0.05 -0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 60.17 1wx9 s THR 14 Cb -0.14 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.67 1wx9 s THR 14 CO -0.06 0.00 2.16 0.18 -0.54 0.00 0.00 174.62 176.36 1wx9 n LEU 15 N -2.87 5.14 -1.28 4.79 7.99 -1.26 -2.65 117.00 126.86 1wx9 n LEU 15 Ca 0.09 -2.97 -0.00 0.00 -0.01 0.00 0.00 56.01 53.11 1wx9 n LEU 15 Cb 0.60 -1.12 0.01 0.00 -0.11 0.00 0.00 43.42 42.80 1wx9 n LEU 15 CO 0.50 0.71 0.21 -0.67 -1.51 0.00 0.00 177.39 176.63 1wx9 n ASP 16 N 4.15 -0.15 -3.63 -1.43 -0.08 -1.26 -5.03 116.55 109.12 1wx9 n ASP 16 Ca 0.46 -0.84 -0.27 0.00 -1.51 0.00 0.00 54.79 52.63 1wx9 n ASP 16 Cb 0.14 0.06 0.01 0.00 2.34 0.00 0.00 41.12 43.67 1wx9 n ASP 16 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1wx9 n SER 17 N -0.12 -4.68 -3.45 1.67 7.64 -1.09 -4.95 113.62 108.65 1wx9 n SER 17 Ca -0.02 -0.72 -0.24 0.00 1.01 0.00 0.00 58.87 58.90 1wx9 n SER 17 Cb 0.46 -1.50 -0.11 0.00 -1.01 0.00 0.00 64.21 62.05 1wx9 n SER 17 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1wx9 s GLN 18 N -4.12 0.40 0.04 1.43 -0.21 -1.26 -4.97 119.66 110.97 1wx9 s GLN 18 Ca 0.10 -0.71 -0.18 0.00 0.02 0.00 0.00 55.36 54.59 1wx9 s GLN 18 Cb -0.01 -0.99 -0.06 0.00 1.00 0.00 0.00 33.01 32.95 1wx9 s GLN 18 CO 0.84 -1.11 0.53 0.99 -2.12 0.00 0.00 175.29 174.42 1wx9 s THR 19 N 1.77 4.84 -0.09 -0.19 2.01 -1.25 -2.61 115.64 120.12 1wx9 s THR 19 Ca 0.13 1.11 -0.02 0.00 0.31 0.00 0.00 61.69 63.22 1wx9 s THR 19 Cb -0.17 -3.85 0.04 0.00 0.01 0.00 0.00 72.50 68.53 1wx9 s THR 19 CO -0.20 0.54 0.05 -0.13 -0.69 0.00 0.00 174.62 174.19 1wx9 s ARG 20 N -0.97 0.22 0.15 4.92 0.52 -0.60 -4.92 118.95 118.28 1wx9 s ARG 20 Ca 0.28 0.14 -0.30 0.00 -0.52 0.00 0.00 55.73 55.33 1wx9 s ARG 20 Cb -0.19 -1.04 -0.07 0.00 0.52 0.00 0.00 34.95 34.17 1wx9 s ARG 20 CO 0.17 -0.41 1.00 0.99 0.02 0.00 0.00 175.30 177.07 1wx9 s THR 21 N 2.08 4.23 0.01 0.02 2.01 -1.26 -2.17 115.64 120.55 1wx9 s THR 21 Ca 0.04 1.93 0.03 0.00 0.31 0.00 0.00 61.69 64.00 1wx9 s THR 21 Cb -0.13 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 1wx9 s THR 21 CO -0.05 0.34 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.76 1wx9 s PHE 22 N -0.29 0.82 -0.35 4.92 0.08 0.40 -4.94 117.98 118.62 1wx9 s PHE 22 Ca 0.47 -0.22 -0.01 0.00 0.12 0.00 0.00 56.93 57.28 1wx9 s PHE 22 Cb -0.26 -0.51 0.08 0.00 -0.57 0.00 0.00 43.02 41.76 1wx9 s PHE 22 CO 0.32 -0.01 0.08 0.42 -0.10 0.00 0.00 175.22 175.93 1wx9 s ILE 23 N -0.46 2.95 0.25 0.64 -1.09 -1.26 0.19 121.20 122.42 1wx9 s ILE 23 Ca 0.01 -1.82 0.07 0.00 -2.23 0.00 0.00 60.65 56.68 1wx9 s ILE 23 Cb -0.05 -2.91 -0.05 0.00 -1.58 0.00 0.00 42.46 37.87 1wx9 s ILE 23 CO 0.00 -0.42 -0.08 0.68 -1.23 0.00 0.00 174.94 173.89 1wx9 s VAL 24 N 1.14 1.64 -0.03 2.92 -7.23 0.03 -4.54 120.40 114.33 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 -0.06 0.00 0.56 0.00 0.00 36.38 34.36 1wx9 s VAL 24 CO -0.04 -0.39 1.53 -0.83 -0.31 0.00 0.00 175.10 175.07 1wx9 s GLY 25 N -3.40 1.65 0.43 2.32 0.00 -1.26 -0.60 107.32 106.47 1wx9 s GLY 25 Ca 0.27 0.92 0.27 0.00 0.00 0.00 0.00 44.72 46.18 1wx9 s GLY 25 CO 0.10 2.79 1.68 0.00 0.00 0.00 0.00 173.10 177.67 1wx9 h ALA 26 N 8.63 2.61 -0.70 3.20 0.00 -1.93 1.47 119.26 132.54 1wx9 h ALA 26 Ca -0.38 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1wx9 h ALA 26 Cb 1.17 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1wx9 h ALA 26 CO 0.93 -1.15 0.35 1.96 0.00 0.00 0.00 179.25 181.34 1wx9 h GLN 27 N 0.18 1.00 -5.27 0.00 4.20 -2.01 -3.33 115.11 109.88 1wx9 h GLN 27 Ca 0.74 -0.14 -0.53 0.00 0.06 0.00 0.00 58.65 58.78 1wx9 h GLN 27 Cb 2.23 -0.18 0.16 0.00 0.30 0.00 0.00 27.48 29.98 1wx9 h GLN 27 CO -0.35 0.78 -0.99 -0.12 -0.67 0.00 0.00 178.83 177.48 1wx9 n MET 28 N -4.45 0.00 -2.91 1.46 1.56 0.50 -4.87 117.12 108.41 1wx9 n MET 28 Ca 0.06 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.30 1wx9 n MET 28 Cb 0.12 -0.88 0.03 0.00 2.15 0.00 0.00 33.22 34.65 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 5.36 0.11 6.12 4.22 -1.26 -3.71 114.94 124.90 1wx9 s ASN 29 Ca 0.50 -0.43 -0.21 0.00 -2.14 0.00 0.00 52.86 50.58 1wx9 s ASN 29 Cb -0.46 -0.44 -0.09 0.00 1.28 0.00 0.00 41.25 41.54 1wx9 s ASN 29 CO 0.58 -1.05 1.76 0.58 -2.04 0.00 0.00 177.10 176.92 1wx9 h VAL 30 N 0.33 1.01 0.11 3.54 2.07 0.30 -1.32 116.25 122.29 1wx9 h VAL 30 Ca -0.38 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1wx9 h VAL 30 Cb 1.28 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1wx9 h VAL 30 CO 0.45 0.03 -0.21 0.50 0.02 0.00 0.00 177.57 178.36 1wx9 h LYS 31 N 0.15 -0.33 -0.98 1.57 3.64 -1.68 -0.42 116.57 118.52 1wx9 h LYS 31 Ca 0.05 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.61 1wx9 h LYS 31 Cb -0.00 0.07 -0.16 0.00 -0.41 0.00 0.00 32.23 31.73 1wx9 h LYS 31 CO -0.03 -0.22 -0.38 0.93 -2.27 0.00 0.00 179.45 177.49 1wx9 h GLU 32 N -0.34 -0.01 -0.82 1.90 5.08 -1.84 1.01 114.58 119.56 1wx9 h GLU 32 Ca -0.01 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.51 1wx9 h GLU 32 Cb 0.32 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.47 1wx9 h GLU 32 CO -0.08 -0.00 0.36 0.35 -1.00 0.00 0.00 179.01 178.63 1wx9 h PHE 33 N -0.01 0.61 -0.52 4.33 3.57 -0.77 0.41 116.94 124.56 1wx9 h PHE 33 Ca 0.35 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.90 1wx9 h PHE 33 Cb 0.60 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1wx9 h PHE 33 CO -0.86 0.06 0.33 0.87 -2.23 0.00 0.00 178.31 176.48 1wx9 h LYS 34 N 0.48 0.65 -0.19 1.11 1.57 0.27 0.19 116.57 120.65 1wx9 h LYS 34 Ca 0.47 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 59.13 1wx9 h LYS 34 Cb 0.75 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1wx9 h LYS 34 CO -0.43 0.43 -0.21 0.93 -0.57 0.00 0.00 179.45 179.59 1wx9 h GLU 35 N 0.67 0.33 0.49 3.15 5.08 0.69 1.44 114.58 126.43 1wx9 h GLU 35 Ca 0.20 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1wx9 h GLU 35 Cb -0.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1wx9 h GLU 35 CO -0.07 0.54 -0.23 1.25 -1.00 0.00 0.00 179.01 179.49 1wx9 h HIS 36 N 0.30 -0.61 -0.05 4.33 2.76 0.79 -3.15 115.15 119.53 1wx9 h HIS 36 Ca 0.05 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.11 1wx9 h HIS 36 Cb 0.55 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 1wx9 h HIS 36 CO 0.01 -0.29 -0.43 -0.84 -1.30 0.00 0.00 177.93 175.08 1wx9 h ILE 37 N -1.01 1.32 -1.72 6.26 3.07 -0.60 -2.82 117.51 122.00 1wx9 h ILE 37 Ca -0.07 -1.53 0.52 0.00 1.55 0.00 0.00 64.86 65.34 1wx9 h ILE 37 Cb 0.59 1.77 -0.10 0.00 -0.27 0.00 0.00 36.82 38.81 1wx9 h ILE 37 CO 0.11 0.45 1.21 0.00 -1.05 0.00 0.00 178.15 178.86 1wx9 h ALA 38 N 1.47 3.47 0.17 0.16 0.00 0.21 1.47 119.26 126.22 1wx9 h ALA 38 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wx9 h ALA 38 Cb 0.80 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wx9 h ALA 38 CO 0.06 -2.06 -0.08 0.00 0.00 0.00 0.00 179.25 177.17 1wx9 h ALA 39 N 1.23 -0.23 0.88 0.00 0.00 -1.56 1.43 119.26 121.01 1wx9 h ALA 39 Ca 0.89 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.56 1wx9 h ALA 39 Cb 3.34 0.09 0.01 0.00 0.00 0.00 0.00 17.79 21.23 1wx9 h ALA 39 CO -0.16 -0.42 -0.42 0.77 0.00 0.00 0.00 179.25 179.02 1wx9 h SER 40 N -0.66 -1.01 0.41 0.00 0.02 0.17 -2.33 113.55 110.14 1wx9 h SER 40 Ca -0.02 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1wx9 h SER 40 Cb 0.48 0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 1wx9 h SER 40 CO 0.04 -0.71 -0.10 -0.37 -1.14 0.00 0.00 176.83 174.55 1wx9 h VAL 41 N -1.21 0.47 0.00 2.27 -1.51 -0.60 -3.46 116.25 112.21 1wx9 h VAL 41 Ca -0.12 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1wx9 h VAL 41 Cb 0.91 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1wx9 h VAL 41 CO 0.20 0.10 0.00 -0.24 -1.23 0.00 0.00 177.57 176.40 1wx9 n SER 42 N -3.55 -3.53 -4.73 4.19 2.88 0.48 -4.99 113.62 104.37 1wx9 n SER 42 Ca -0.02 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.18 1wx9 n SER 42 Cb 0.23 -1.49 -0.08 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 -1.81 4.55 0.35 2.46 1.01 -0.37 -4.92 121.20 122.46 1wx9 s ILE 43 Ca 0.00 -0.28 -0.26 0.00 0.00 0.00 0.00 60.65 60.10 1wx9 s ILE 43 Cb 0.00 -2.98 -0.09 0.00 0.01 0.00 0.00 42.46 39.40 1wx9 s ILE 43 CO 0.00 0.51 1.07 -2.16 0.00 0.00 0.00 174.94 174.35 1wx9 s PRO 44 N -1.22 4.36 0.18 2.79 0.04 -1.26 -4.06 135.00 135.83 1wx9 s PRO 44 Ca 0.17 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.62 1wx9 s PRO 44 Cb -0.12 -2.81 0.10 0.00 0.04 0.00 0.00 34.50 31.71 1wx9 s PRO 44 CO 0.07 0.01 1.59 1.03 0.04 0.00 0.00 177.00 179.74 1wx9 h SER 45 N 3.05 -1.12 -0.17 6.66 0.87 -1.90 1.42 113.55 122.36 1wx9 h SER 45 Ca -0.48 0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.35 1wx9 h SER 45 Cb 1.21 0.55 -0.01 0.00 -0.44 0.00 0.00 62.40 63.71 1wx9 h SER 45 CO 0.64 -0.31 0.50 1.05 -0.53 0.00 0.00 176.83 178.19 1wx9 h GLU 46 N -0.19 0.00 0.00 2.24 4.11 -1.96 1.42 114.58 120.20 1wx9 h GLU 46 Ca 0.21 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.38 1wx9 h GLU 46 Cb 0.54 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 1wx9 h GLU 46 CO -0.63 0.00 -1.77 1.63 0.07 0.00 0.00 179.01 178.32 1wx9 n LYS 47 N -3.06 0.64 -2.32 1.06 5.02 0.45 -4.93 118.16 115.02 1wx9 n LYS 47 Ca 0.02 0.20 -0.28 0.00 -2.02 0.00 0.00 58.31 56.23 1wx9 n LYS 47 Cb 0.59 -1.74 0.02 0.00 -0.02 0.00 0.00 35.03 33.89 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 -2.70 3.17 -0.49 1.97 -0.21 0.49 -1.87 119.66 120.01 1wx9 s GLN 48 Ca -0.05 0.21 0.05 0.00 0.02 0.00 0.00 55.36 55.59 1wx9 s GLN 48 Cb 0.08 -2.24 0.21 0.00 1.00 0.00 0.00 33.01 32.06 1wx9 s GLN 48 CO 0.83 -0.60 0.83 -2.13 -2.12 0.00 0.00 175.29 172.10 1wx9 n ARG 49 N -2.58 0.55 -1.60 2.91 0.63 -0.93 -4.88 116.66 110.77 1wx9 n ARG 49 Ca 0.04 -1.77 -0.47 0.00 -0.92 0.00 0.00 57.85 54.73 1wx9 n ARG 49 Cb 0.56 -1.27 -0.03 0.00 0.45 0.00 0.00 32.46 32.18 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 2.46 1.88 -3.88 6.15 4.77 -1.26 -3.93 117.00 123.19 1wx9 n LEU 50 Ca 0.14 1.15 -0.22 0.00 -0.03 0.00 0.00 56.01 57.06 1wx9 n LEU 50 Cb 0.60 -1.28 -0.17 0.00 -2.33 0.00 0.00 43.42 40.24 1wx9 n LEU 50 CO -0.02 -1.20 -0.41 -0.63 -1.33 0.00 0.00 177.39 173.81 1wx9 s ILE 51 N -0.46 0.59 -0.13 -0.08 1.01 0.50 -1.12 121.20 121.51 1wx9 s ILE 51 Ca 0.67 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 61.23 1wx9 s ILE 51 Cb -0.77 -0.63 0.02 0.00 0.01 0.00 0.00 42.46 41.09 1wx9 s ILE 51 CO 0.54 0.25 -0.16 -0.47 0.00 0.00 0.00 174.94 175.11 1wx9 s TYR 52 N 1.20 2.17 -1.08 3.97 6.14 0.36 -1.28 117.35 128.84 1wx9 s TYR 52 Ca -0.06 -1.10 0.00 0.00 0.64 0.00 0.00 57.07 56.54 1wx9 s TYR 52 Cb -0.14 -1.55 0.00 0.00 0.42 0.00 0.00 41.96 40.69 1wx9 s TYR 52 CO -0.02 -0.56 0.00 1.04 0.64 0.00 0.00 175.55 176.65 1wx9 n GLN 53 N 4.34 -1.02 -0.28 4.97 1.13 -1.26 -1.13 117.38 124.14 1wx9 n GLN 53 Ca -0.19 0.82 0.00 0.00 -1.94 0.00 0.00 57.00 55.69 1wx9 n GLN 53 Cb 0.51 -4.86 0.00 0.00 0.11 0.00 0.00 30.24 26.00 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 -1.12 1.01 3.70 1.08 0.00 -1.26 -5.03 105.19 103.57 1wx9 n GLY 54 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.53 4.13 0.32 1.61 0.52 -0.28 -5.06 118.95 119.66 1wx9 s ARG 55 Ca 0.00 -0.25 -0.29 0.00 -0.52 0.00 0.00 55.73 54.67 1wx9 s ARG 55 Cb 0.00 -3.37 -0.10 0.00 0.52 0.00 0.00 34.95 31.99 1wx9 s ARG 55 CO 0.00 0.29 1.36 0.54 0.02 0.00 0.00 175.30 177.50 1wx9 s VAL 56 N 0.39 2.60 -0.15 3.52 0.11 -1.26 -0.48 120.40 125.12 1wx9 s VAL 56 Ca 0.07 0.59 -0.21 0.00 -2.93 0.00 0.00 61.98 59.49 1wx9 s VAL 56 Cb -0.11 -3.37 -0.03 0.00 -1.53 0.00 0.00 36.38 31.33 1wx9 s VAL 56 CO -0.01 0.13 0.62 -0.76 -3.33 0.00 0.00 175.10 171.75 1wx9 s LEU 57 N -1.60 4.21 0.36 2.54 1.43 -0.27 -4.88 118.68 120.47 1wx9 s LEU 57 Ca 0.51 0.93 -0.27 0.00 -1.03 0.00 0.00 54.13 54.27 1wx9 s LEU 57 Cb -0.41 -2.91 -0.09 0.00 0.03 0.00 0.00 46.19 42.80 1wx9 s LEU 57 CO 0.53 -0.19 1.28 -1.10 0.23 0.00 0.00 176.35 177.10 1wx9 s GLN 58 N 1.40 4.20 0.05 1.70 1.11 -1.26 -4.77 119.66 122.09 1wx9 s GLN 58 Ca 0.31 2.13 -0.26 0.00 0.01 0.00 0.00 55.36 57.55 1wx9 s GLN 58 Cb -0.16 -2.92 -0.17 0.00 -1.01 0.00 0.00 33.01 28.75 1wx9 s GLN 58 CO 0.12 -0.29 1.51 0.38 0.01 0.00 0.00 175.29 177.02 1wx9 h ASP 59 N 3.06 -0.24 -0.93 5.90 3.04 -1.96 -2.71 116.42 122.59 1wx9 h ASP 59 Ca -0.49 -0.12 0.11 0.00 -3.24 0.00 0.00 57.03 53.29 1wx9 h ASP 59 Cb 1.23 0.06 -0.08 0.00 -1.04 0.00 0.00 39.33 39.50 1wx9 h ASP 59 CO 0.64 -0.02 0.56 -0.78 -2.04 0.00 0.00 179.24 177.60 1wx9 h ASP 60 N -0.45 0.81 -3.32 4.15 3.58 -1.97 -2.53 116.42 116.69 1wx9 h ASP 60 Ca -0.03 0.05 -0.49 0.00 0.42 0.00 0.00 57.03 56.98 1wx9 h ASP 60 Cb 0.34 -0.11 0.22 0.00 1.72 0.00 0.00 39.33 41.50 1wx9 h ASP 60 CO 0.05 0.44 -0.37 0.29 -2.88 0.00 0.00 179.24 176.77 1wx9 n LYS 61 N -4.68 -1.16 -4.42 0.28 4.76 -1.02 -4.58 118.16 107.34 1wx9 n LYS 61 Ca 0.17 -0.30 -0.25 0.00 -2.87 0.00 0.00 58.31 55.06 1wx9 n LYS 61 Cb 0.33 -2.02 -0.10 0.00 -1.84 0.00 0.00 35.03 31.40 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 -4.02 1.71 0.08 1.97 1.02 -1.26 0.44 119.74 119.67 1wx9 s LYS 62 Ca 0.62 -1.58 -0.35 0.00 0.02 0.00 0.00 55.97 54.68 1wx9 s LYS 62 Cb -0.20 -1.88 -0.18 0.00 -0.52 0.00 0.00 37.83 35.05 1wx9 s LYS 62 CO 0.64 0.37 1.59 -0.07 -0.92 0.00 0.00 175.35 176.96 1wx9 h LEU 63 N 2.69 -1.12 -0.95 3.17 -0.00 -1.80 -2.22 115.31 115.09 1wx9 h LEU 63 Ca -0.44 0.07 0.29 0.00 -0.00 0.00 0.00 57.88 57.80 1wx9 h LEU 63 Cb 1.23 0.34 -0.17 0.00 -0.00 0.00 0.00 40.66 42.06 1wx9 h LEU 63 CO 0.54 -0.66 0.23 -0.61 -0.00 0.00 0.00 178.44 177.94 1wx9 h GLN 64 N -1.04 0.09 -0.25 1.13 4.15 -1.84 0.47 115.11 117.82 1wx9 h GLN 64 Ca -0.08 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.40 1wx9 h GLN 64 Cb 0.85 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.45 1wx9 h GLN 64 CO 0.06 0.06 -0.30 0.93 -1.93 0.00 0.00 178.83 177.65 1wx9 h GLU 65 N 0.09 -0.30 0.00 1.69 4.39 -1.71 0.47 114.58 119.21 1wx9 h GLU 65 Ca 0.64 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.36 1wx9 h GLU 65 Cb 1.42 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 1wx9 h GLU 65 CO -0.79 -0.20 0.00 0.66 -1.16 0.00 0.00 179.01 177.53 1wx9 n TYR 66 N -5.40 0.36 -3.41 4.33 4.01 0.14 -4.87 117.16 112.31 1wx9 n TYR 66 Ca -0.01 0.14 -0.18 0.00 -0.16 0.00 0.00 57.90 57.68 1wx9 n TYR 66 Cb 0.32 -0.73 0.08 0.00 -0.31 0.00 0.00 39.34 38.70 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 -1.82 -3.51 -0.65 7.72 3.02 0.16 -4.87 115.26 115.31 1wx9 n ASN 67 Ca 0.03 -0.56 0.05 0.00 -0.03 0.00 0.00 54.58 54.07 1wx9 n ASN 67 Cb 0.19 -4.83 0.15 0.00 -0.61 0.00 0.00 39.78 34.68 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 -4.28 0.51 -1.65 2.41 0.24 -1.20 -4.81 118.33 109.55 1wx9 n VAL 68 Ca -0.17 -0.45 -0.49 0.00 -2.04 0.00 0.00 64.34 61.19 1wx9 n VAL 68 Cb 0.62 0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 33.10 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 0.94 1.30 2.77 7.63 0.00 -1.26 0.43 105.19 117.01 1wx9 n GLY 69 Ca 0.11 0.87 -0.01 0.00 0.00 0.00 0.00 46.02 46.99 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 4.73 0.17 3.96 -0.02 0.00 0.21 -4.95 105.19 109.29 1wx9 n GLY 70 Ca 0.25 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.63 2.91 -0.33 1.61 -0.14 0.17 -4.86 119.74 117.46 1wx9 s LYS 71 Ca 0.00 -0.58 -0.09 0.00 -1.36 0.00 0.00 55.97 53.94 1wx9 s LYS 71 Cb 0.00 -2.54 0.01 0.00 -1.68 0.00 0.00 37.83 33.62 1wx9 s LYS 71 CO 0.00 -0.40 0.15 0.08 -0.76 0.00 0.00 175.35 174.42 1wx9 s VAL 72 N -2.61 4.36 0.58 3.17 1.01 -1.26 -1.85 120.40 123.80 1wx9 s VAL 72 Ca 0.51 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 1wx9 s VAL 72 Cb -0.10 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.98 1wx9 s VAL 72 CO 0.38 -0.07 0.81 -0.63 0.00 0.00 0.00 175.10 175.59 1wx9 s ILE 73 N 1.54 2.60 -0.40 2.22 1.01 -1.13 -4.93 121.20 122.12 1wx9 s ILE 73 Ca 0.02 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.11 1wx9 s ILE 73 Cb -0.18 -3.00 0.11 0.00 0.01 0.00 0.00 42.46 39.40 1wx9 s ILE 73 CO 0.05 -0.00 0.13 -1.00 0.00 0.00 0.00 174.94 174.12 1wx9 s HIS 74 N -2.84 3.58 0.33 3.97 3.76 -0.40 -1.40 115.29 122.28 1wx9 s HIS 74 Ca 0.58 -3.02 -0.18 0.00 -0.15 0.00 0.00 55.06 52.29 1wx9 s HIS 74 Cb -0.10 -2.92 -0.09 0.00 1.11 0.00 0.00 32.58 30.57 1wx9 s HIS 74 CO 0.39 -0.89 0.79 -1.17 -0.85 0.00 0.00 174.74 173.02 1wx9 s LEU 75 N 0.55 4.10 -0.02 0.89 2.96 -1.19 -0.37 118.68 125.61 1wx9 s LEU 75 Ca 0.13 1.42 -0.02 0.00 -0.22 0.00 0.00 54.13 55.44 1wx9 s LEU 75 Cb -0.21 -4.09 0.00 0.00 0.50 0.00 0.00 46.19 42.39 1wx9 s LEU 75 CO -0.05 -0.19 0.05 0.68 -1.32 0.00 0.00 176.35 175.52 1wx9 s VAL 76 N -1.93 0.02 -0.14 1.68 -7.23 -1.25 -4.44 120.40 107.11 1wx9 s VAL 76 Ca 0.54 -0.18 -0.01 0.00 -1.81 0.00 0.00 61.98 60.52 1wx9 s VAL 76 Cb -0.12 -0.14 -0.02 0.00 0.56 0.00 0.00 36.38 36.66 1wx9 s VAL 76 CO 0.17 -0.10 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.06 1wx9 s GLU 77 N -0.28 3.45 -0.29 4.82 -6.30 -1.26 -2.19 118.70 116.65 1wx9 s GLU 77 Ca -0.03 -0.64 -0.29 0.00 -2.50 0.00 0.00 54.97 51.51 1wx9 s GLU 77 Cb -0.02 -2.71 -0.02 0.00 0.00 0.00 0.00 34.13 31.38 1wx9 s GLU 77 CO 0.00 0.23 1.64 1.03 0.02 0.00 0.00 175.26 178.18 1wx9 s ARG 78 N 0.32 3.61 0.07 4.30 0.52 -0.78 -4.98 118.95 122.01 1wx9 s ARG 78 Ca -0.09 1.47 0.03 0.00 -0.52 0.00 0.00 55.73 56.62 1wx9 s ARG 78 Cb -0.15 -4.08 -0.03 0.00 0.52 0.00 0.00 34.95 31.20 1wx9 s ARG 78 CO 0.05 -1.52 -0.09 0.00 0.02 0.00 0.00 175.30 173.76 1wx9 s ALA 79 N 5.78 0.84 -1.16 2.13 0.00 -1.26 -5.04 121.76 123.04 1wx9 s ALA 79 Ca 0.72 -0.99 -0.13 0.00 0.00 0.00 0.00 51.96 51.57 1wx9 s ALA 79 Cb -0.22 0.04 -0.07 0.00 0.00 0.00 0.00 23.12 22.87 1wx9 s ALA 79 CO 0.31 -0.04 2.28 -0.35 0.00 0.00 0.00 175.76 177.97 1wx9 n PRO 80 N 0.97 2.48 0.09 0.00 -0.04 -1.26 -3.88 135.00 133.36 1wx9 n PRO 80 Ca -0.19 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 1wx9 n PRO 80 Cb 0.56 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 1wx9 n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wx9 n SER 81 N 5.29 0.52 0.00 3.54 2.88 -1.26 -5.13 113.62 119.47 1wx9 n SER 81 Ca 0.55 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1wx9 n SER 81 Cb 0.28 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1wx9 n SER 81 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wx9 n GLY 82 N 2.60 0.43 3.55 0.46 0.00 -1.25 -4.68 105.19 106.31 1wx9 n GLY 82 Ca 0.00 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 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 2.99 -0.14 1.61 0.04 -1.26 -4.92 135.00 133.33 1wx9 s PRO 83 Ca 0.00 -0.24 -0.12 0.00 0.04 0.00 0.00 61.00 60.68 1wx9 s PRO 83 Cb 0.00 -4.72 0.04 0.00 0.04 0.00 0.00 34.50 29.86 1wx9 s PRO 83 CO 0.00 -2.60 0.37 -1.54 0.04 0.00 0.00 177.00 173.27 1wx9 s SER 84 N 6.15 -0.40 -0.10 6.66 1.04 -1.26 -5.03 113.70 120.77 1wx9 s SER 84 Ca 0.54 0.75 -0.02 0.00 0.48 0.00 0.00 55.95 57.70 1wx9 s SER 84 Cb -0.07 0.74 0.01 0.00 0.10 0.00 0.00 66.02 66.80 1wx9 s SER 84 CO 0.07 -0.14 0.05 -0.24 0.98 0.00 0.00 173.24 173.96 1wx9 n SER 85 N 3.13 -6.06 0.00 7.02 2.88 -1.26 -5.18 113.62 114.15 1wx9 n SER 85 Ca -0.15 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1wx9 n SER 85 Cb 0.57 -3.03 0.00 0.00 -0.75 0.00 0.00 64.21 61.00 1wx9 n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42