#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wad s ASP 2 N 0.00 7.10 0.21 4.52 1.47 -1.26 -5.02 116.67 123.70 1wad s ASP 2 Ca 0.00 2.05 -0.30 0.00 1.18 0.00 0.00 52.55 55.48 1wad s ASP 2 Cb 0.00 -2.60 -0.08 0.00 -0.34 0.00 0.00 42.92 39.90 1wad s ASP 2 CO 0.00 -0.24 0.94 0.54 0.68 0.00 0.00 175.17 177.09 1wad s VAL 3 N -1.46 4.18 0.81 2.11 0.11 -1.26 -5.01 120.40 119.87 1wad s VAL 3 Ca 0.51 2.08 -0.11 0.00 -2.93 0.00 0.00 61.98 61.53 1wad s VAL 3 Cb -0.24 -4.33 0.08 0.00 -1.53 0.00 0.00 36.38 30.36 1wad s VAL 3 CO 0.31 0.46 1.11 -2.16 -3.33 0.00 0.00 175.10 171.49 1wad s PRO 4 N -0.90 1.93 0.78 1.54 0.04 -1.26 -4.99 135.00 132.13 1wad s PRO 4 Ca 0.42 1.30 -0.13 0.00 0.04 0.00 0.00 61.00 62.63 1wad s PRO 4 Cb -0.25 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.50 1wad s PRO 4 CO 0.31 -1.91 1.16 0.00 0.04 0.00 0.00 177.00 176.60 1wad s ALA 5 N -2.79 2.02 1.04 8.56 0.00 -1.26 -4.71 121.76 124.61 1wad s ALA 5 Ca 0.63 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 1wad s ALA 5 Cb -0.19 -3.41 0.21 0.00 0.00 0.00 0.00 23.12 19.73 1wad s ALA 5 CO 0.56 -2.01 1.07 -0.51 0.00 0.00 0.00 175.76 174.87 1wad s ASP 6 N -2.53 2.06 0.00 0.00 1.11 -1.26 -4.33 116.67 111.73 1wad s ASP 6 Ca 0.69 1.66 0.00 0.00 0.18 0.00 0.00 52.55 55.08 1wad s ASP 6 Cb -0.24 -2.32 0.00 0.00 1.07 0.00 0.00 42.92 41.43 1wad s ASP 6 CO 0.50 -3.55 0.00 0.61 1.18 0.00 0.00 175.17 173.91 1wad n GLY 7 N 0.14 0.84 3.68 0.21 0.00 -1.14 -4.99 105.19 103.92 1wad n GLY 7 Ca 0.06 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1wad n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wad s ALA 8 N -2.00 3.57 -0.06 4.61 0.00 -0.41 -4.79 121.76 122.70 1wad s ALA 8 Ca 0.00 0.70 -0.28 0.00 0.00 0.00 0.00 51.96 52.39 1wad s ALA 8 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1wad s ALA 8 CO 0.00 -0.96 0.89 0.15 0.00 0.00 0.00 175.76 175.84 1wad s LYS 9 N 2.71 4.47 -0.24 0.00 3.01 -1.26 0.09 119.74 128.51 1wad s LYS 9 Ca 0.60 1.22 -0.00 0.00 -1.01 0.00 0.00 55.97 56.78 1wad s LYS 9 Cb -0.27 -3.48 0.03 0.00 -1.01 0.00 0.00 37.83 33.10 1wad s LYS 9 CO 0.23 -0.10 -0.10 0.42 0.51 0.00 0.00 175.35 176.31 1wad s ILE 10 N 1.26 2.55 -0.45 2.17 1.01 0.13 -4.96 121.20 122.90 1wad s ILE 10 Ca 0.46 -1.17 0.07 0.00 0.00 0.00 0.00 60.65 60.01 1wad s ILE 10 Cb -0.19 -2.31 0.25 0.00 0.01 0.00 0.00 42.46 40.22 1wad s ILE 10 CO 0.22 0.20 0.76 -0.67 0.00 0.00 0.00 174.94 175.45 1wad n ASP 11 N 4.60 -1.66 0.05 3.58 2.03 -1.26 -1.32 116.55 122.56 1wad n ASP 11 Ca -0.17 -3.09 0.07 0.00 0.52 0.00 0.00 54.79 52.13 1wad n ASP 11 Cb 0.46 0.87 -0.07 0.00 -0.72 0.00 0.00 41.12 41.66 1wad n ASP 11 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1wad n PHE 12 N 1.48 0.70 -3.77 -0.67 3.72 -1.26 -4.83 117.46 112.83 1wad n PHE 12 Ca 0.14 0.21 -0.35 0.00 -0.05 0.00 0.00 57.45 57.40 1wad n PHE 12 Cb 0.60 -0.89 -0.09 0.00 -0.94 0.00 0.00 39.48 38.15 1wad n PHE 12 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1wad s ILE 13 N -3.23 5.23 -0.79 4.37 1.01 -1.26 -5.02 121.20 121.51 1wad s ILE 13 Ca -0.03 0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.55 1wad s ILE 13 Cb 0.10 -3.40 0.11 0.00 0.01 0.00 0.00 42.46 39.29 1wad s ILE 13 CO 0.83 0.41 0.99 0.00 0.00 0.00 0.00 174.94 177.16 1wad s ALA 14 N 0.61 3.34 -1.10 9.38 0.00 -1.26 -4.75 121.76 127.98 1wad s ALA 14 Ca 0.07 -2.44 0.08 0.00 0.00 0.00 0.00 51.96 49.67 1wad s ALA 14 Cb -0.12 -3.88 0.36 0.00 0.00 0.00 0.00 23.12 19.48 1wad s ALA 14 CO 0.01 -2.78 1.23 0.41 0.00 0.00 0.00 175.76 174.63 1wad n GLY 15 N 5.33 -0.73 1.36 0.00 0.00 -1.26 -4.99 105.19 104.90 1wad n GLY 15 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1wad n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wad n GLY 16 N -0.65 0.70 0.32 -0.02 0.00 -1.26 -4.35 105.19 99.93 1wad n GLY 16 Ca 0.02 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.62 1wad n GLY 16 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1wad h GLU 17 N 0.00 0.56 -4.03 1.61 4.11 -2.05 -3.12 114.58 111.66 1wad h GLU 17 Ca 0.00 -0.03 -0.70 0.00 0.07 0.00 0.00 59.36 58.69 1wad h GLU 17 Cb 0.00 -0.13 -0.34 0.00 0.50 0.00 0.00 28.75 28.78 1wad h GLU 17 CO 0.00 0.37 -0.43 -1.59 0.07 0.00 0.00 179.01 177.43 1wad s LYS 18 N -5.89 2.36 -0.16 1.06 -2.85 -1.26 -5.08 119.74 107.91 1wad s LYS 18 Ca -0.12 -2.16 -0.08 0.00 -1.00 0.00 0.00 55.97 52.61 1wad s LYS 18 Cb 0.24 -3.72 -0.04 0.00 -2.06 0.00 0.00 37.83 32.25 1wad s LYS 18 CO 0.79 -1.14 0.12 1.21 0.10 0.00 0.00 175.35 176.43 1wad s ASN 19 N 1.40 6.21 -0.12 0.03 2.47 -1.18 -4.49 114.94 119.27 1wad s ASN 19 Ca 0.12 0.33 -0.08 0.00 0.42 0.00 0.00 52.86 53.64 1wad s ASN 19 Cb -0.22 -2.05 -0.04 0.00 -1.45 0.00 0.00 41.25 37.49 1wad s ASN 19 CO -0.04 0.29 0.17 -0.76 -3.72 0.00 0.00 177.10 173.05 1wad s LEU 20 N -0.32 4.38 -0.07 3.21 1.43 -1.26 -4.96 118.68 121.08 1wad s LEU 20 Ca 0.11 0.50 0.05 0.00 -1.03 0.00 0.00 54.13 53.76 1wad s LEU 20 Cb -0.12 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.96 1wad s LEU 20 CO 0.01 0.37 -0.21 -0.89 0.23 0.00 0.00 176.35 175.85 1wad s THR 21 N -0.84 1.81 -0.07 5.49 2.01 -1.26 -4.81 115.64 117.97 1wad s THR 21 Ca 0.15 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.29 1wad s THR 21 Cb -0.12 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 1wad s THR 21 CO 0.04 0.51 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.60 1wad s VAL 22 N 0.12 2.62 -0.21 3.82 1.01 -0.44 -4.89 120.40 122.43 1wad s VAL 22 Ca -0.09 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 1wad s VAL 22 Cb -0.15 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1wad s VAL 22 CO 0.05 0.57 0.13 -0.69 0.00 0.00 0.00 175.10 175.16 1wad s VAL 23 N -0.30 5.30 -0.21 2.92 1.01 -1.26 0.17 120.40 128.03 1wad s VAL 23 Ca 0.01 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 1wad s VAL 23 Cb -0.13 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1wad s VAL 23 CO 0.03 0.41 0.04 0.12 0.00 0.00 0.00 175.10 175.70 1wad s PHE 24 N 0.63 3.12 -0.19 5.22 5.36 0.11 -4.90 117.98 127.34 1wad s PHE 24 Ca 0.07 -0.24 -0.04 0.00 -0.96 0.00 0.00 56.93 55.77 1wad s PHE 24 Cb -0.12 -2.13 -0.02 0.00 -0.34 0.00 0.00 43.02 40.41 1wad s PHE 24 CO 0.01 -0.13 -0.04 -0.80 -1.46 0.00 0.00 175.22 172.79 1wad s ASN 25 N 0.96 4.51 0.24 6.13 0.01 -1.26 -1.28 114.94 124.23 1wad s ASN 25 Ca 0.03 -0.27 0.05 0.00 -0.71 0.00 0.00 52.86 51.96 1wad s ASN 25 Cb -0.14 -1.75 0.24 0.00 0.41 0.00 0.00 41.25 40.01 1wad s ASN 25 CO 0.02 0.08 1.55 0.45 -1.51 0.00 0.00 177.10 177.69 1wad h HIS 26 N 7.40 0.26 -0.82 2.20 3.86 -1.84 -3.27 115.15 122.93 1wad h HIS 26 Ca -0.35 -0.10 0.06 0.00 -1.16 0.00 0.00 60.37 58.82 1wad h HIS 26 Cb 1.18 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.56 1wad h HIS 26 CO 0.56 0.77 0.54 0.66 0.86 0.00 0.00 177.93 181.32 1wad h SER 27 N 0.14 0.81 0.31 2.45 4.64 -1.94 0.26 113.55 120.22 1wad h SER 27 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1wad h SER 27 Cb 1.14 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1wad h SER 27 CO 0.10 0.53 -0.01 0.35 -0.87 0.00 0.00 176.83 176.93 1wad n THR 28 N -4.48 0.00 -1.25 2.95 -2.24 -1.23 -2.93 114.28 105.10 1wad n THR 28 Ca 0.12 -0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.93 1wad n THR 28 Cb 0.19 -0.47 0.21 0.00 -2.10 0.00 0.00 70.33 68.16 1wad n THR 28 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1wad n HIS 29 N -1.13 0.77 0.29 4.78 8.25 0.07 -4.71 115.22 123.53 1wad n HIS 29 Ca 0.18 -1.25 0.16 0.00 -0.26 0.00 0.00 57.72 56.55 1wad n HIS 29 Cb 0.19 -0.36 0.75 0.00 1.12 0.00 0.00 29.99 31.69 1wad n HIS 29 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1wad h LYS 30 N 1.10 0.00 -0.29 -0.41 2.10 -1.40 -1.27 116.57 116.41 1wad h LYS 30 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1wad h LYS 30 Cb 1.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.75 1wad h LYS 30 CO 0.24 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.44 1wad n ASP 31 N -2.65 2.02 -4.69 7.07 8.00 -1.26 -4.75 116.55 120.30 1wad n ASP 31 Ca -0.01 -1.86 -0.35 0.00 0.71 0.00 0.00 54.79 53.28 1wad n ASP 31 Cb 0.15 -0.19 -0.09 0.00 -0.02 0.00 0.00 41.12 40.97 1wad n ASP 31 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wad s VAL 32 N -1.62 5.19 0.51 2.53 1.01 -0.48 -5.07 120.40 122.48 1wad s VAL 32 Ca 0.30 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.18 1wad s VAL 32 Cb 0.16 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 1wad s VAL 32 CO 0.23 0.43 1.26 -0.54 0.00 0.00 0.00 175.10 176.48 1wad s LYS 33 N 0.49 3.38 0.30 2.72 1.02 -1.26 -4.88 119.74 121.51 1wad s LYS 33 Ca 0.06 1.98 0.03 0.00 0.02 0.00 0.00 55.97 58.07 1wad s LYS 33 Cb -0.12 -2.28 0.61 0.00 -0.52 0.00 0.00 37.83 35.52 1wad s LYS 33 CO -0.00 -0.92 1.85 0.00 -0.92 0.00 0.00 175.35 175.36 1wad n ASP 35 N -4.59 0.00 0.04 0.00 5.68 -1.26 -0.05 116.55 116.38 1wad n ASP 35 Ca 0.18 -0.38 0.13 0.00 -0.50 0.00 0.00 54.79 54.22 1wad n ASP 35 Cb 0.36 -0.12 0.38 0.00 -1.14 0.00 0.00 41.12 40.60 1wad n ASP 35 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1wad n ASP 36 N -1.12 0.48 -0.03 -1.12 8.00 -0.58 -3.55 116.55 118.63 1wad n ASP 36 Ca 0.13 0.27 -0.07 0.00 0.71 0.00 0.00 54.79 55.83 1wad n ASP 36 Cb 0.11 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 40.92 1wad n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wad n HIS 38 N -3.33 3.51 0.48 0.00 8.25 0.93 -4.75 115.22 120.31 1wad n HIS 38 Ca -0.12 -2.94 0.13 0.00 -0.26 0.00 0.00 57.72 54.52 1wad n HIS 38 Cb 0.56 -2.06 0.29 0.00 1.12 0.00 0.00 29.99 29.91 1wad n HIS 38 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1wad h HIS 39 N 6.14 0.00 -3.58 4.41 -0.00 -1.78 -3.37 115.15 116.97 1wad h HIS 39 Ca 0.39 0.00 -0.64 0.00 -0.00 0.00 0.00 60.37 60.12 1wad h HIS 39 Cb 0.69 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 27.96 1wad h HIS 39 CO 1.23 0.00 0.07 -0.51 -0.00 0.00 0.00 177.93 178.72 1wad s ASP 40 N -5.05 6.38 0.60 3.10 1.11 -1.26 -5.02 116.67 116.52 1wad s ASP 40 Ca 0.09 0.04 -0.18 0.00 0.18 0.00 0.00 52.55 52.67 1wad s ASP 40 Cb 0.10 -2.30 -0.03 0.00 1.07 0.00 0.00 42.92 41.76 1wad s ASP 40 CO 0.64 -0.57 1.15 -2.16 1.18 0.00 0.00 175.17 175.41 1wad s PRO 41 N 2.60 3.02 0.67 8.23 0.04 -1.26 -3.36 135.00 144.94 1wad s PRO 41 Ca 0.22 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1wad s PRO 41 Cb -0.15 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1wad s PRO 41 CO 0.15 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.48 1wad n GLY 42 N 0.09 0.87 0.23 0.56 0.00 -1.26 -4.69 105.19 100.99 1wad n GLY 42 Ca 0.12 -1.53 -0.00 0.00 0.00 0.00 0.00 46.02 44.61 1wad n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wad h ASP 43 N 1.53 0.25 -0.44 1.61 3.32 -2.06 -2.95 116.42 117.68 1wad h ASP 43 Ca 0.00 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1wad h ASP 43 Cb 0.00 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 1wad h ASP 43 CO 0.00 0.15 0.07 0.29 -1.72 0.00 0.00 179.24 178.03 1wad n LYS 44 N -4.98 3.00 -0.22 3.56 5.02 -1.26 -4.70 118.16 118.57 1wad n LYS 44 Ca 0.09 -3.01 0.02 0.00 -2.02 0.00 0.00 58.31 53.39 1wad n LYS 44 Cb 0.26 -1.97 0.12 0.00 -0.02 0.00 0.00 35.03 33.43 1wad n LYS 44 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1wad h GLN 45 N 1.96 0.13 -0.55 1.97 4.15 -1.52 -1.05 115.11 120.21 1wad h GLN 45 Ca 0.13 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1wad h GLN 45 Cb 1.79 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.45 1wad h GLN 45 CO 0.43 0.09 0.00 0.66 -1.93 0.00 0.00 178.83 178.08 1wad n TYR 46 N -5.28 1.88 -1.18 3.99 4.01 -1.26 -4.48 117.16 114.85 1wad n TYR 46 Ca 0.11 -0.73 -0.30 0.00 -0.16 0.00 0.00 57.90 56.82 1wad n TYR 46 Cb 0.39 -0.46 0.14 0.00 -0.31 0.00 0.00 39.34 39.10 1wad n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wad s ALA 47 N -2.67 1.54 0.50 -0.72 0.00 -0.40 -4.94 121.76 115.08 1wad s ALA 47 Ca 0.53 -0.02 -0.23 0.00 0.00 0.00 0.00 51.96 52.23 1wad s ALA 47 Cb 0.40 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.25 1wad s ALA 47 CO 0.16 -2.36 1.40 0.20 0.00 0.00 0.00 175.76 175.16 1wad s GLY 48 N -3.37 2.91 0.46 0.00 0.00 -1.26 -4.87 107.32 101.18 1wad s GLY 48 Ca 0.63 1.41 0.14 0.00 0.00 0.00 0.00 44.72 46.91 1wad s GLY 48 CO 0.57 1.98 2.03 0.00 0.00 0.00 0.00 173.10 177.68 1wad n THR 50 N -4.37 1.29 -1.67 0.00 -2.24 -1.26 -1.04 114.28 104.99 1wad n THR 50 Ca -0.02 -0.83 -0.40 0.00 -2.27 0.00 0.00 64.05 60.52 1wad n THR 50 Cb 0.21 0.01 0.02 0.00 -2.10 0.00 0.00 70.33 68.47 1wad n THR 50 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1wad n THR 51 N 0.74 2.79 -1.64 4.28 -1.04 -0.81 -3.88 114.28 114.72 1wad n THR 51 Ca 0.18 -0.50 -0.46 0.00 -2.04 0.00 0.00 64.05 61.23 1wad n THR 51 Cb 0.67 -1.41 -0.03 0.00 -1.82 0.00 0.00 70.33 67.74 1wad n THR 51 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1wad n ASP 52 N 0.05 2.27 0.00 8.00 2.03 -1.26 -0.08 116.55 127.56 1wad n ASP 52 Ca 0.09 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.54 1wad n ASP 52 Cb 0.41 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 1wad n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wad n GLY 53 N 2.03 1.12 0.00 0.27 0.00 -1.26 -4.95 105.19 102.40 1wad n GLY 53 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1wad n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wad n HIS 55 N 0.00 2.78 1.26 0.00 8.25 -0.21 -4.48 115.22 122.83 1wad n HIS 55 Ca 0.00 -2.60 0.14 0.00 -0.26 0.00 0.00 57.72 55.00 1wad n HIS 55 Cb 0.00 -1.18 0.60 0.00 1.12 0.00 0.00 29.99 30.53 1wad n HIS 55 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1wad n ASN 56 N -0.00 0.25 -4.64 0.41 6.94 -1.08 -3.79 115.26 113.35 1wad n ASN 56 Ca 0.46 -0.18 -0.41 0.00 -0.02 0.00 0.00 54.58 54.43 1wad n ASN 56 Cb 0.27 -0.18 -0.05 0.00 -2.36 0.00 0.00 39.78 37.45 1wad n ASN 56 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1wad s ILE 57 N -2.69 4.88 -2.29 1.53 1.01 -0.51 -4.93 121.20 118.21 1wad s ILE 57 Ca 0.23 1.43 0.21 0.00 0.00 0.00 0.00 60.65 62.51 1wad s ILE 57 Cb 0.20 -4.06 0.46 0.00 0.01 0.00 0.00 42.46 39.06 1wad s ILE 57 CO 0.51 -0.04 1.45 0.18 0.00 0.00 0.00 174.94 177.04 1wad n LEU 58 N 5.91 2.86 -4.64 2.97 4.77 -1.26 -1.10 117.00 126.51 1wad n LEU 58 Ca 0.04 -1.29 -0.41 0.00 -0.03 0.00 0.00 56.01 54.32 1wad n LEU 58 Cb 0.48 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1wad n LEU 58 CO 0.46 0.64 0.44 -0.62 -1.33 0.00 0.00 177.39 176.99 1wad s ASP 59 N -1.36 6.68 0.54 -1.43 2.15 -1.26 -4.91 116.67 117.08 1wad s ASP 59 Ca 0.37 0.83 0.24 0.00 0.43 0.00 0.00 52.55 54.42 1wad s ASP 59 Cb 0.20 -2.36 1.50 0.00 -0.30 0.00 0.00 42.92 41.96 1wad s ASP 59 CO 0.28 -0.36 2.16 0.07 -0.17 0.00 0.00 175.17 177.15 1wad h LYS 60 N 7.69 0.00 -0.24 4.34 2.10 -1.99 -1.66 116.57 126.81 1wad h LYS 60 Ca -0.28 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.26 1wad h LYS 60 Cb 1.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 1wad h LYS 60 CO 0.79 0.05 -0.33 0.00 -2.00 0.00 0.00 179.45 177.96 1wad h ALA 61 N 1.95 0.98 -2.40 0.07 0.00 -1.99 -3.44 119.26 114.43 1wad h ALA 61 Ca -0.00 -0.39 -0.56 0.00 0.00 0.00 0.00 54.91 53.95 1wad h ALA 61 Cb 0.11 -0.11 0.05 0.00 0.00 0.00 0.00 17.79 17.84 1wad h ALA 61 CO 0.01 0.60 0.91 -3.47 0.00 0.00 0.00 179.25 177.30 1wad n ASP 62 N -4.07 3.49 -0.67 0.00 2.03 -0.62 -4.87 116.55 111.84 1wad n ASP 62 Ca -0.01 1.06 0.06 0.00 0.52 0.00 0.00 54.79 56.42 1wad n ASP 62 Cb 0.46 -1.48 0.20 0.00 -0.72 0.00 0.00 41.12 39.58 1wad n ASP 62 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1wad n LYS 63 N 3.98 2.00 -2.27 -0.67 4.76 -1.26 -4.62 118.16 120.08 1wad n LYS 63 Ca 0.17 -2.90 -0.26 0.00 -2.87 0.00 0.00 58.31 52.45 1wad n LYS 63 Cb 0.32 -1.71 0.09 0.00 -1.84 0.00 0.00 35.03 31.89 1wad n LYS 63 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1wad s SER 64 N -2.53 4.53 0.29 4.39 1.04 -1.26 -4.94 113.70 115.22 1wad s SER 64 Ca 0.39 0.25 0.23 0.00 0.48 0.00 0.00 55.95 57.30 1wad s SER 64 Cb 0.34 -0.78 1.08 0.00 0.10 0.00 0.00 66.02 66.75 1wad s SER 64 CO 0.03 -1.77 1.69 0.55 0.98 0.00 0.00 173.24 174.72 1wad n VAL 65 N -2.98 0.92 1.43 5.02 3.14 -1.26 -1.57 118.33 123.03 1wad n VAL 65 Ca 0.10 0.47 0.12 0.00 -2.96 0.00 0.00 64.34 62.07 1wad n VAL 65 Cb 0.60 -1.43 0.48 0.00 -1.06 0.00 0.00 33.84 32.43 1wad n VAL 65 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1wad n ASN 66 N -2.26 1.40 -4.66 6.55 4.13 -1.26 -4.73 115.26 114.43 1wad n ASN 66 Ca 0.00 -1.57 -0.43 0.00 1.68 0.00 0.00 54.58 54.27 1wad n ASN 66 Cb 0.14 -0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.31 1wad n ASN 66 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1wad s SER 67 N -1.77 7.02 0.18 6.41 0.15 -0.61 -1.42 113.70 123.67 1wad s SER 67 Ca 0.35 1.45 -0.09 0.00 0.70 0.00 0.00 55.95 58.37 1wad s SER 67 Cb 0.19 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 62.04 1wad s SER 67 CO 0.29 -0.73 1.64 -0.25 1.20 0.00 0.00 173.24 175.39 1wad h TRP 68 N 7.82 1.16 -0.95 3.44 -0.00 -1.21 -2.32 115.95 123.89 1wad h TRP 68 Ca -0.22 -0.21 0.06 0.00 -0.00 0.00 0.00 58.89 58.52 1wad h TRP 68 Cb 1.08 -0.30 -0.06 0.00 -0.00 0.00 0.00 29.16 29.87 1wad h TRP 68 CO 0.78 1.03 0.62 -0.92 -0.00 0.00 0.00 178.44 179.94 1wad h TYR 69 N 0.96 1.12 -0.16 2.65 5.03 -1.86 -2.44 116.97 122.28 1wad h TYR 69 Ca 0.17 0.03 -0.22 0.00 2.58 0.00 0.00 58.73 61.29 1wad h TYR 69 Cb 0.58 -0.37 0.01 0.00 1.55 0.00 0.00 36.73 38.50 1wad h TYR 69 CO 0.04 0.60 -0.75 -0.22 -1.32 0.00 0.00 178.16 176.51 1wad h LYS 70 N 1.11 0.79 0.00 1.82 3.64 -1.73 -1.02 116.57 121.18 1wad h LYS 70 Ca 0.40 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1wad h LYS 70 Cb 0.15 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1wad h LYS 70 CO -0.15 1.24 0.00 1.33 -2.27 0.00 0.00 179.45 179.61 1wad n VAL 71 N -3.96 0.98 -0.09 2.00 0.24 -0.91 -1.01 118.33 115.58 1wad n VAL 71 Ca -0.07 0.25 -0.23 0.00 -2.04 0.00 0.00 64.34 62.24 1wad n VAL 71 Cb 0.73 -1.04 -0.12 0.00 -1.47 0.00 0.00 33.84 31.95 1wad n VAL 71 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1wad n VAL 72 N -1.63 1.59 -0.01 3.34 0.31 -0.95 -3.66 118.33 117.31 1wad n VAL 72 Ca 0.03 -0.31 0.09 0.00 -0.01 0.00 0.00 64.34 64.15 1wad n VAL 72 Cb 0.18 -1.87 -0.16 0.00 -0.91 0.00 0.00 33.84 31.08 1wad n VAL 72 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1wad n HIS 73 N -4.05 0.07 -1.66 3.52 8.25 -0.41 -1.83 115.22 119.11 1wad n HIS 73 Ca -0.38 0.02 -0.50 0.00 -0.26 0.00 0.00 57.72 56.60 1wad n HIS 73 Cb 0.84 -0.57 -0.05 0.00 1.12 0.00 0.00 29.99 31.33 1wad n HIS 73 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1wad n ASP 74 N -2.33 2.69 0.26 0.41 -0.08 -0.18 -4.73 116.55 112.59 1wad n ASP 74 Ca -0.06 1.07 0.15 0.00 -1.51 0.00 0.00 54.79 54.43 1wad n ASP 74 Cb 0.62 -1.31 0.59 0.00 2.34 0.00 0.00 41.12 43.35 1wad n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wad h ALA 75 N 6.51 1.01 0.12 -1.67 0.00 -1.93 -3.27 119.26 120.04 1wad h ALA 75 Ca -0.47 -0.07 -0.36 0.00 0.00 0.00 0.00 54.91 54.01 1wad h ALA 75 Cb 1.29 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1wad h ALA 75 CO 0.88 0.10 -2.00 1.17 0.00 0.00 0.00 179.25 179.40 1wad n LYS 76 N -3.20 0.76 0.00 0.00 4.81 -1.26 -4.33 118.16 114.94 1wad n LYS 76 Ca 0.01 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1wad n LYS 76 Cb 0.36 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.70 1wad n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wad n GLY 77 N 1.99 0.57 0.00 3.14 0.00 -1.25 -4.91 105.19 104.74 1wad n GLY 77 Ca -0.32 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1wad n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wad n GLY 78 N 0.65 3.69 0.29 -0.02 0.00 -1.26 -4.98 105.19 103.56 1wad n GLY 78 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.71 1wad n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wad h ALA 79 N 1.29 1.49 -2.20 4.61 0.00 -2.03 -3.42 119.26 118.99 1wad h ALA 79 Ca 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 54.91 54.41 1wad h ALA 79 Cb 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 17.79 17.48 1wad h ALA 79 CO 0.00 0.39 -0.68 0.15 0.00 0.00 0.00 179.25 179.10 1wad s LYS 80 N -5.21 1.25 0.47 0.00 -0.14 -1.26 -5.14 119.74 109.71 1wad s LYS 80 Ca -0.08 -1.60 -0.20 0.00 -1.36 0.00 0.00 55.97 52.73 1wad s LYS 80 Cb 0.16 -0.68 -0.09 0.00 -1.68 0.00 0.00 37.83 35.55 1wad s LYS 80 CO 0.75 -0.01 1.01 -1.25 -0.76 0.00 0.00 175.35 175.10 1wad s PRO 81 N -3.80 3.92 0.72 -1.68 0.04 -1.26 -4.80 135.00 128.14 1wad s PRO 81 Ca 0.24 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 1wad s PRO 81 Cb 0.04 -2.12 0.12 0.00 0.04 0.00 0.00 34.50 32.58 1wad s PRO 81 CO 0.06 -0.32 0.99 0.95 0.04 0.00 0.00 177.00 178.72 1wad s THR 82 N -2.07 2.17 0.24 1.26 -4.23 -1.26 -4.89 115.64 106.87 1wad s THR 82 Ca 0.65 -0.56 -0.06 0.00 -1.18 0.00 0.00 61.69 60.54 1wad s THR 82 Cb -0.14 -2.60 0.22 0.00 1.34 0.00 0.00 72.50 71.31 1wad s THR 82 CO 0.19 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.14 1wad h ILE 84 N 1.23 1.35 -0.72 0.00 2.04 -1.61 -2.78 117.51 117.02 1wad h ILE 84 Ca 0.31 -2.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.00 1wad h ILE 84 Cb 0.02 2.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 1wad h ILE 84 CO -0.05 0.64 0.30 0.77 0.00 0.00 0.00 178.15 179.81 1wad h SER 85 N 0.16 0.96 -0.19 1.72 4.64 -1.59 0.12 113.55 119.36 1wad h SER 85 Ca -0.10 -0.13 -0.20 0.00 -0.47 0.00 0.00 61.79 60.90 1wad h SER 85 Cb 1.48 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1wad h SER 85 CO 0.16 0.84 -0.65 0.00 -0.87 0.00 0.00 176.83 176.32 1wad h HIS 87 N 0.51 0.87 -0.33 0.00 -0.00 -1.17 -0.42 115.15 114.60 1wad h HIS 87 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.20 1wad h HIS 87 Cb 1.27 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 28.38 1wad h HIS 87 CO 0.09 0.58 -0.37 -0.22 -0.00 0.00 0.00 177.93 178.00 1wad h LYS 88 N 0.92 0.78 -0.76 2.45 3.64 -0.74 0.79 116.57 123.64 1wad h LYS 88 Ca 0.24 -0.39 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1wad h LYS 88 Cb -0.04 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1wad h LYS 88 CO -0.05 1.02 0.37 -0.44 -2.27 0.00 0.00 179.45 178.09 1wad h ASP 89 N 0.64 0.99 0.44 4.20 3.32 -1.18 -1.97 116.42 122.86 1wad h ASP 89 Ca 0.06 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 1wad h ASP 89 Cb 0.93 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1wad h ASP 89 CO 0.08 0.84 -0.50 0.11 -1.72 0.00 0.00 179.24 178.06 1wad h LYS 90 N 1.07 0.07 0.00 3.56 6.56 -0.75 -2.96 116.57 124.13 1wad h LYS 90 Ca 0.26 -0.04 -0.14 0.00 -1.06 0.00 0.00 60.65 59.68 1wad h LYS 90 Cb 0.11 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 1wad h LYS 90 CO -0.03 0.55 -0.65 0.00 -2.06 0.00 0.00 179.45 177.26 1wad h ALA 91 N 1.44 0.78 -0.50 3.86 0.00 -0.43 -3.47 119.26 120.94 1wad h ALA 91 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1wad h ALA 91 Cb 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wad h ALA 91 CO 0.07 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.55 1wad n GLY 92 N 0.64 3.14 1.24 0.00 0.00 -0.78 -1.02 105.19 108.42 1wad n GLY 92 Ca -0.00 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1wad n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wad n ASP 93 N 3.92 3.75 -4.58 1.61 8.00 -1.26 -4.87 116.55 123.12 1wad n ASP 93 Ca 0.00 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.09 1wad n ASP 93 Cb 0.00 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 1wad n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wad s ASP 94 N -1.10 6.33 0.54 -2.24 -1.08 -0.19 -4.84 116.67 114.09 1wad s ASP 94 Ca 0.44 0.10 0.21 0.00 -0.52 0.00 0.00 52.55 52.78 1wad s ASP 94 Cb 0.24 -2.55 1.39 0.00 -1.46 0.00 0.00 42.92 40.53 1wad s ASP 94 CO 0.31 -1.58 2.11 0.07 0.52 0.00 0.00 175.17 176.60 1wad h LYS 95 N 10.01 0.00 -0.14 4.34 5.09 -1.89 -0.23 116.57 133.75 1wad h LYS 95 Ca -0.26 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.33 1wad h LYS 95 Cb 1.07 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.40 1wad h LYS 95 CO 1.19 0.00 -0.50 1.05 -2.09 0.00 0.00 179.45 179.10 1wad h GLU 96 N 0.00 0.58 -0.71 0.07 9.09 -1.96 -2.36 114.58 119.29 1wad h GLU 96 Ca 0.08 -0.44 -0.06 0.00 0.05 0.00 0.00 59.36 58.99 1wad h GLU 96 Cb 0.34 0.08 -0.03 0.00 -1.65 0.00 0.00 28.75 27.49 1wad h GLU 96 CO -0.00 1.07 0.22 1.25 0.05 0.00 0.00 179.01 181.59 1wad h LEU 97 N 0.22 1.03 -0.50 3.06 5.85 -1.71 -0.75 115.31 122.51 1wad h LEU 97 Ca -0.02 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1wad h LEU 97 Cb 1.13 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1wad h LEU 97 CO 0.11 0.96 0.27 0.50 -0.34 0.00 0.00 178.44 179.94 1wad h LYS 98 N 1.06 0.69 -0.31 1.25 3.64 -1.05 0.38 116.57 122.24 1wad h LYS 98 Ca 0.23 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1wad h LYS 98 Cb 0.30 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1wad h LYS 98 CO -0.01 0.54 -0.03 0.87 -2.27 0.00 0.00 179.45 178.56 1wad h LYS 99 N 0.66 0.56 -0.47 1.90 1.57 -1.10 0.27 116.57 119.96 1wad h LYS 99 Ca 0.17 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1wad h LYS 99 Cb 0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1wad h LYS 99 CO -0.03 0.72 -0.13 -0.22 -0.57 0.00 0.00 179.45 179.23 1wad h LYS 100 N 0.35 0.87 0.00 3.15 3.64 -0.81 -1.63 116.57 122.14 1wad h LYS 100 Ca 0.08 -0.31 -0.10 0.00 -1.27 0.00 0.00 60.65 59.06 1wad h LYS 100 Cb 0.49 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1wad h LYS 100 CO 0.02 0.95 -1.57 1.28 -2.27 0.00 0.00 179.45 177.86 1wad n LEU 101 N -4.15 0.53 0.00 5.20 4.77 0.13 -0.99 117.00 122.49 1wad n LEU 101 Ca 0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1wad n LEU 101 Cb 0.39 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1wad n LEU 101 CO 0.44 0.05 0.07 0.35 -1.33 0.00 0.00 177.39 176.97 1wad n THR 102 N -2.64 0.00 -1.85 -5.08 -2.24 0.93 -4.84 114.28 98.55 1wad n THR 102 Ca -0.08 -0.31 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 1wad n THR 102 Cb 0.72 1.18 0.05 0.00 -2.10 0.00 0.00 70.33 70.17 1wad n THR 102 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wad s GLY 103 N -0.33 2.84 0.23 3.38 0.00 -0.61 -4.94 107.32 107.89 1wad s GLY 103 Ca 0.00 1.19 0.18 0.00 0.00 0.00 0.00 44.72 46.09 1wad s GLY 103 CO 0.00 1.64 1.23 0.00 0.00 0.00 0.00 173.10 175.96 1wad s LYS 105 N -3.07 0.13 -0.38 0.00 2.20 -1.26 -4.72 119.74 112.63 1wad s LYS 105 Ca 0.02 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 1wad s LYS 105 Cb 0.08 -0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.30 1wad s LYS 105 CO 0.76 0.02 0.00 0.41 -0.36 0.00 0.00 175.35 176.18 1wad n GLY 106 N 2.94 0.66 3.92 5.54 0.00 0.56 -4.99 105.19 113.82 1wad n GLY 106 Ca -0.13 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 1wad n GLY 106 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wad n SER 107 N 1.14 2.34 0.20 1.61 3.41 -0.84 -4.78 113.62 116.71 1wad n SER 107 Ca -0.04 -2.67 0.06 0.00 -0.26 0.00 0.00 58.87 55.96 1wad n SER 107 Cb 0.13 -0.31 0.42 0.00 -0.26 0.00 0.00 64.21 64.19 1wad n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wad h ALA 108 N 0.29 1.16 0.13 7.33 0.00 -1.32 -2.27 119.26 124.57 1wad h ALA 108 Ca -0.30 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.13 1wad h ALA 108 Cb 1.27 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.03 1wad h ALA 108 CO 0.44 0.41 -0.82 0.00 0.00 0.00 0.00 179.25 179.29 1wad n HIS 110 N -4.14 2.78 0.67 0.00 -0.00 -1.18 -4.61 115.22 108.74 1wad n HIS 110 Ca -0.15 -4.16 0.05 0.00 -0.00 0.00 0.00 57.72 53.47 1wad n HIS 110 Cb 0.81 -0.51 0.32 0.00 -0.00 0.00 0.00 29.99 30.61 1wad n HIS 110 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99