#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a03 s ALA 2 N 0.00 -0.84 -0.11 3.04 0.00 -1.26 -5.02 121.76 117.57 1a03 s ALA 2 Ca 0.00 -0.69 -0.38 0.00 0.00 0.00 0.00 51.96 50.88 1a03 s ALA 2 Cb 0.00 0.69 -0.16 0.00 0.00 0.00 0.00 23.12 23.65 1a03 s ALA 2 CO 0.00 -1.00 1.58 -1.13 0.00 0.00 0.00 175.76 175.21 1a03 n SER 3 N -1.36 2.13 -0.21 0.00 3.41 -1.26 -4.40 113.62 111.92 1a03 n SER 3 Ca -0.08 1.09 -0.05 0.00 -0.26 0.00 0.00 58.87 59.57 1a03 n SER 3 Cb 0.60 -1.18 -0.05 0.00 -0.26 0.00 0.00 64.21 63.32 1a03 n SER 3 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1a03 n PRO 4 N 4.18 -0.22 -0.35 4.33 -0.02 -1.26 -0.30 135.00 141.37 1a03 n PRO 4 Ca 0.23 0.92 0.01 0.00 -2.02 0.00 0.00 63.50 62.64 1a03 n PRO 4 Cb 0.16 -1.36 0.15 0.00 -0.02 0.00 0.00 33.50 32.43 1a03 n PRO 4 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 1a03 h LEU 5 N 0.00 0.98 -0.35 2.45 -0.00 -1.99 0.19 115.31 116.59 1a03 h LEU 5 Ca 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.87 1a03 h LEU 5 Cb 0.20 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1a03 h LEU 5 CO -0.47 0.65 -0.14 -0.78 -0.00 0.00 0.00 178.44 177.70 1a03 h ASP 6 N 1.13 0.74 -0.72 0.17 3.58 -1.00 -1.08 116.42 119.25 1a03 h ASP 6 Ca 0.39 -0.39 0.06 0.00 0.42 0.00 0.00 57.03 57.51 1a03 h ASP 6 Cb 0.10 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 40.89 1a03 h ASP 6 CO -0.15 0.96 0.41 -0.61 -2.88 0.00 0.00 179.24 176.98 1a03 h GLN 7 N 0.51 0.74 0.25 0.28 4.15 -0.25 0.14 115.11 120.92 1a03 h GLN 7 Ca 0.08 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1a03 h GLN 7 Cb 0.67 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1a03 h GLN 7 CO 0.05 0.49 -0.12 0.00 -1.93 0.00 0.00 178.83 177.31 1a03 h ALA 8 N 1.36 -0.33 -0.23 3.38 0.00 -0.23 0.15 119.26 123.36 1a03 h ALA 8 Ca 0.32 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1a03 h ALA 8 Cb 0.18 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1a03 h ALA 8 CO -0.18 -0.65 -0.34 0.82 0.00 0.00 0.00 179.25 178.90 1a03 h ILE 9 N -0.40 0.24 -0.64 0.00 2.04 -1.02 -0.49 117.51 117.25 1a03 h ILE 9 Ca -0.03 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.95 1a03 h ILE 9 Cb 0.30 0.24 -0.12 0.00 -0.74 0.00 0.00 36.82 36.50 1a03 h ILE 9 CO 0.06 0.00 -0.25 1.23 0.00 0.00 0.00 178.15 179.18 1a03 h GLY 10 N -0.36 0.21 0.82 5.37 0.00 -0.26 0.40 103.07 109.25 1a03 h GLY 10 Ca 0.12 0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.78 1a03 h GLY 10 CO -0.43 -0.24 0.01 1.41 0.00 0.00 0.00 176.54 177.29 1a03 h LEU 11 N -0.08 0.05 0.01 3.11 3.38 -0.27 0.34 115.31 121.85 1a03 h LEU 11 Ca 0.28 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1a03 h LEU 11 Cb 0.53 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1a03 h LEU 11 CO -0.70 0.23 -0.19 -0.07 0.09 0.00 0.00 178.44 177.80 1a03 h LEU 12 N -0.14 -0.56 -0.53 1.67 4.07 -0.16 -0.62 115.31 119.03 1a03 h LEU 12 Ca 0.01 0.08 -0.11 0.00 0.08 0.00 0.00 57.88 57.93 1a03 h LEU 12 Cb 0.20 0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 1a03 h LEU 12 CO -0.00 -0.26 -0.12 0.16 -1.08 0.00 0.00 178.44 177.14 1a03 h ILE 13 N -0.32 1.27 -0.73 1.22 3.07 -0.99 -0.34 117.51 120.70 1a03 h ILE 13 Ca 0.05 -1.27 0.10 0.00 1.55 0.00 0.00 64.86 65.29 1a03 h ILE 13 Cb 0.39 1.00 -0.12 0.00 -0.27 0.00 0.00 36.82 37.82 1a03 h ILE 13 CO -0.17 0.45 -0.46 1.23 -1.05 0.00 0.00 178.15 178.14 1a03 h GLY 14 N 0.88 -0.45 0.26 0.16 0.00 0.37 0.13 103.07 104.42 1a03 h GLY 14 Ca 0.14 0.61 -0.00 0.00 0.00 0.00 0.00 47.33 48.07 1a03 h GLY 14 CO 0.05 -0.13 -0.04 1.19 0.00 0.00 0.00 176.54 177.61 1a03 h ILE 15 N -0.15 1.09 -0.61 2.60 2.10 -1.13 -3.38 117.51 118.03 1a03 h ILE 15 Ca 0.20 -1.43 0.09 0.00 1.08 0.00 0.00 64.86 64.80 1a03 h ILE 15 Cb 0.54 1.90 -0.07 0.00 -1.09 0.00 0.00 36.82 38.11 1a03 h ILE 15 CO -0.79 0.31 0.25 0.15 -1.08 0.00 0.00 178.15 176.99 1a03 h PHE 16 N -0.85 0.44 -0.17 2.19 3.57 -0.56 -2.28 116.94 119.28 1a03 h PHE 16 Ca -0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1a03 h PHE 16 Cb 0.59 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1a03 h PHE 16 CO 0.13 0.14 0.02 1.12 -2.23 0.00 0.00 178.31 177.48 1a03 h HIS 17 N 0.45 0.23 -0.84 0.41 2.07 -0.94 0.15 115.15 116.68 1a03 h HIS 17 Ca 0.30 -0.01 0.06 0.00 -2.85 0.00 0.00 60.37 57.87 1a03 h HIS 17 Cb 0.34 -0.07 -0.06 0.00 2.57 0.00 0.00 27.41 30.18 1a03 h HIS 17 CO -0.15 0.23 0.52 0.87 -3.07 0.00 0.00 177.93 176.33 1a03 h LYS 18 N 0.24 0.92 0.00 5.12 1.57 -1.58 0.23 116.57 123.06 1a03 h LYS 18 Ca 0.06 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a03 h LYS 18 Cb 0.14 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1a03 h LYS 18 CO 0.00 0.61 -0.02 1.88 -0.57 0.00 0.00 179.45 181.34 1a03 h TYR 19 N 0.95 0.00 0.00 -1.35 0.05 -1.54 -3.40 116.97 111.67 1a03 h TYR 19 Ca 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.13 1a03 h TYR 19 Cb 0.16 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 1a03 h TYR 19 CO -0.04 0.00 -0.05 0.66 -1.05 0.00 0.00 178.16 177.68 1a03 h SER 20 N -0.44 0.00 -0.87 3.88 4.64 -0.70 -1.56 113.55 118.50 1a03 h SER 20 Ca 0.00 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.55 1a03 h SER 20 Cb 0.02 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.07 1a03 h SER 20 CO 0.00 0.05 0.60 1.23 -0.87 0.00 0.00 176.83 177.84 1a03 h GLY 21 N 0.61 0.41 0.84 -0.77 0.00 -0.73 0.25 103.07 103.69 1a03 h GLY 21 Ca -0.00 -0.09 0.16 0.00 0.00 0.00 0.00 47.33 47.40 1a03 h GLY 21 CO 0.01 -0.01 0.43 0.50 0.00 0.00 0.00 176.54 177.47 1a03 h LYS 22 N 0.19 0.09 -1.30 4.80 1.57 -1.50 0.93 116.57 121.33 1a03 h LYS 22 Ca 0.43 -0.01 -0.54 0.00 -1.87 0.00 0.00 60.65 58.67 1a03 h LYS 22 Cb 1.41 -0.02 -0.42 0.00 0.08 0.00 0.00 32.23 33.28 1a03 h LYS 22 CO -0.09 0.06 -0.82 0.39 -0.57 0.00 0.00 179.45 178.41 1a03 n GLU 23 N -4.39 3.06 -1.00 3.15 1.02 0.80 -5.00 120.64 118.27 1a03 n GLU 23 Ca 0.11 -4.25 -0.35 0.00 -0.02 0.00 0.00 57.16 52.65 1a03 n GLU 23 Cb 0.61 -2.08 -0.04 0.00 -0.02 0.00 0.00 31.44 29.91 1a03 n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a03 n GLY 24 N -0.45 2.78 1.38 0.62 0.00 0.32 -1.00 105.19 108.84 1a03 n GLY 24 Ca 0.34 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1a03 n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a03 n ASP 25 N 6.28 -2.66 -0.27 1.61 2.03 -1.26 -4.87 116.55 117.41 1a03 n ASP 25 Ca 0.47 0.75 -0.07 0.00 0.52 0.00 0.00 54.79 56.47 1a03 n ASP 25 Cb 0.30 2.65 0.05 0.00 -0.72 0.00 0.00 41.12 43.40 1a03 n ASP 25 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1a03 h LYS 26 N 0.00 1.12 -5.52 -0.67 1.57 -1.74 -3.48 116.57 107.85 1a03 h LYS 26 Ca 0.00 -0.22 -0.23 0.00 -1.87 0.00 0.00 60.65 58.32 1a03 h LYS 26 Cb 0.00 -0.17 0.16 0.00 0.08 0.00 0.00 32.23 32.30 1a03 h LYS 26 CO 0.00 0.93 -0.75 0.72 -0.57 0.00 0.00 179.45 179.78 1a03 n HIS 27 N -4.31 -2.49 -4.39 -1.35 8.25 -0.17 -4.85 115.22 105.91 1a03 n HIS 27 Ca 0.06 0.86 -0.19 0.00 -0.26 0.00 0.00 57.72 58.19 1a03 n HIS 27 Cb 0.20 -4.06 -0.10 0.00 1.12 0.00 0.00 29.99 27.15 1a03 n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1a03 s THR 28 N -3.34 0.89 -0.17 1.59 -4.23 -1.26 -2.60 115.64 106.51 1a03 s THR 28 Ca 0.40 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1a03 s THR 28 Cb -0.06 -2.71 0.04 0.00 1.34 0.00 0.00 72.50 71.10 1a03 s THR 28 CO 0.75 0.00 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.51 1a03 s LEU 29 N -3.41 1.92 0.38 4.79 0.20 0.21 -4.15 118.68 118.61 1a03 s LEU 29 Ca 0.37 -0.70 0.04 0.00 0.69 0.00 0.00 54.13 54.53 1a03 s LEU 29 Cb 0.08 -1.13 -0.01 0.00 -0.43 0.00 0.00 46.19 44.71 1a03 s LEU 29 CO 0.15 -0.13 0.54 -0.44 -0.29 0.00 0.00 176.35 176.18 1a03 s SER 30 N 1.49 5.92 0.26 3.68 0.01 -1.26 -0.78 113.70 123.01 1a03 s SER 30 Ca 0.01 -0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.20 1a03 s SER 30 Cb -0.15 -1.34 0.48 0.00 0.21 0.00 0.00 66.02 65.22 1a03 s SER 30 CO -0.09 -0.53 1.62 0.50 0.41 0.00 0.00 173.24 175.15 1a03 h LYS 31 N 0.71 0.07 0.52 12.44 3.64 -1.15 0.22 116.57 133.03 1a03 h LYS 31 Ca -0.46 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 1a03 h LYS 31 Cb 1.26 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1a03 h LYS 31 CO 0.54 0.05 -0.50 -0.22 -2.27 0.00 0.00 179.45 177.05 1a03 h LYS 32 N 0.08 -0.98 -0.61 1.90 3.64 -1.95 0.98 116.57 119.62 1a03 h LYS 32 Ca 0.44 0.07 0.12 0.00 -1.27 0.00 0.00 60.65 60.01 1a03 h LYS 32 Cb 0.79 0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 32.74 1a03 h LYS 32 CO -0.73 -0.66 0.06 0.93 -2.27 0.00 0.00 179.45 176.78 1a03 h GLU 33 N -1.02 0.18 0.40 1.90 3.07 -1.65 -1.04 114.58 116.41 1a03 h GLU 33 Ca -0.06 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1a03 h GLU 33 Cb 0.88 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 1a03 h GLU 33 CO -0.05 0.12 -0.30 1.25 -1.40 0.00 0.00 179.01 178.63 1a03 h LEU 34 N 0.18 -0.77 -0.96 1.33 5.85 -0.48 0.12 115.31 120.58 1a03 h LEU 34 Ca 0.32 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.10 1a03 h LEU 34 Cb 0.51 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 1a03 h LEU 34 CO -0.47 -0.45 0.62 0.07 -0.34 0.00 0.00 178.44 177.87 1a03 h LYS 35 N -0.69 1.27 -0.01 1.25 2.10 -0.42 0.12 116.57 120.19 1a03 h LYS 35 Ca -0.04 -0.09 0.02 0.00 -2.00 0.00 0.00 60.65 58.54 1a03 h LYS 35 Cb 0.59 -0.28 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 1a03 h LYS 35 CO 0.00 0.85 -0.09 0.93 -2.00 0.00 0.00 179.45 179.15 1a03 h GLU 36 N 1.30 -0.15 0.07 0.07 3.07 -0.93 -0.16 114.58 117.85 1a03 h GLU 36 Ca 0.35 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.24 1a03 h GLU 36 Cb -0.12 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.78 1a03 h GLU 36 CO -0.07 -0.10 -0.29 1.25 -1.40 0.00 0.00 179.01 178.40 1a03 h LEU 37 N -0.15 -0.84 -0.26 1.33 5.85 -0.10 -1.35 115.31 119.79 1a03 h LEU 37 Ca 0.04 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.92 1a03 h LEU 37 Cb 0.20 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1a03 h LEU 37 CO -0.10 -0.37 -0.24 0.40 -0.34 0.00 0.00 178.44 177.80 1a03 h ILE 38 N -0.48 0.39 -0.04 4.05 2.04 -0.60 0.14 117.51 123.02 1a03 h ILE 38 Ca 0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1a03 h ILE 38 Cb 0.53 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1a03 h ILE 38 CO -0.20 0.00 -0.31 1.56 0.00 0.00 0.00 178.15 179.20 1a03 h GLN 39 N -0.24 -0.42 -0.01 2.37 4.20 -0.78 0.47 115.11 120.70 1a03 h GLN 39 Ca 0.14 0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 1a03 h GLN 39 Cb 0.46 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1a03 h GLN 39 CO -0.39 -0.28 -0.49 1.57 -0.67 0.00 0.00 178.83 178.56 1a03 h LYS 40 N -0.44 0.02 -0.26 1.46 2.10 -0.65 0.13 116.57 118.93 1a03 h LYS 40 Ca 0.07 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.70 1a03 h LYS 40 Cb 0.54 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.86 1a03 h LYS 40 CO -0.28 0.51 0.12 0.93 -2.00 0.00 0.00 179.45 178.73 1a03 h GLU 41 N 0.02 0.37 -0.12 0.07 5.08 -0.45 -3.31 114.58 116.23 1a03 h GLU 41 Ca -0.00 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1a03 h GLU 41 Cb 0.88 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1a03 h GLU 41 CO 0.07 0.38 -0.21 1.25 -1.00 0.00 0.00 179.01 179.49 1a03 h LEU 42 N 0.28 0.40 0.00 1.33 5.85 -0.35 -3.48 115.31 119.34 1a03 h LEU 42 Ca 0.09 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1a03 h LEU 42 Cb 0.13 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1a03 h LEU 42 CO -0.01 0.86 0.00 0.35 -0.34 0.00 0.00 178.44 179.30 1a03 n THR 43 N -4.50 0.00 -2.22 1.05 -2.24 0.40 -0.92 114.28 105.85 1a03 n THR 43 Ca -0.07 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.75 1a03 n THR 43 Cb 0.42 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.70 1a03 n THR 43 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1a03 n ILE 44 N 0.00 0.49 -3.86 2.28 -5.35 -1.26 -4.99 119.36 106.66 1a03 n ILE 44 Ca 0.00 -1.36 -0.36 0.00 -0.27 0.00 0.00 62.75 60.77 1a03 n ILE 44 Cb 0.00 0.66 -0.08 0.00 -1.74 0.00 0.00 39.64 38.48 1a03 n ILE 44 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1a03 s GLY 45 N -2.15 2.05 0.00 3.28 0.00 -0.09 -4.99 107.32 105.42 1a03 s GLY 45 Ca 0.31 -0.69 -0.05 0.00 0.00 0.00 0.00 44.72 44.29 1a03 s GLY 45 CO -0.12 -0.09 2.97 1.44 0.00 0.00 0.00 173.10 177.30 1a03 n SER 46 N 2.92 4.24 -3.93 1.64 7.64 -1.26 -4.82 113.62 120.04 1a03 n SER 46 Ca -0.18 -2.29 -0.40 0.00 1.01 0.00 0.00 58.87 57.02 1a03 n SER 46 Cb 0.53 -1.14 -0.04 0.00 -1.01 0.00 0.00 64.21 62.55 1a03 n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1a03 n LYS 47 N 2.56 1.87 -0.34 1.43 5.02 -1.26 -4.83 118.16 122.61 1a03 n LYS 47 Ca 0.33 -2.22 -0.01 0.00 -2.02 0.00 0.00 58.31 54.40 1a03 n LYS 47 Cb 0.73 -3.20 0.04 0.00 -0.02 0.00 0.00 35.03 32.58 1a03 n LYS 47 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1a03 n LEU 48 N 8.86 -0.58 -0.04 -0.35 7.94 -1.26 0.11 117.00 131.68 1a03 n LEU 48 Ca 0.49 1.55 -0.08 0.00 -1.11 0.00 0.00 56.01 56.86 1a03 n LEU 48 Cb 0.42 -0.36 -0.02 0.00 0.53 0.00 0.00 43.42 44.00 1a03 n LEU 48 CO 0.92 -1.39 0.75 1.56 -1.11 0.00 0.00 177.39 178.11 1a03 h GLN 49 N 0.00 -0.16 -0.07 1.96 4.20 -2.00 -0.44 115.11 118.61 1a03 h GLN 49 Ca 0.31 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.95 1a03 h GLN 49 Cb 0.53 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1a03 h GLN 49 CO -0.88 -0.11 -0.31 -0.44 -0.67 0.00 0.00 178.83 176.42 1a03 h ASP 50 N -0.17 0.12 -0.50 1.46 5.19 -0.73 0.46 116.42 122.26 1a03 h ASP 50 Ca 0.12 -0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.57 1a03 h ASP 50 Cb 0.35 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 39.77 1a03 h ASP 50 CO -0.31 0.44 0.16 0.00 -3.12 0.00 0.00 179.24 176.40 1a03 h ALA 51 N 1.58 0.60 -0.52 3.45 0.00 0.55 0.21 119.26 125.13 1a03 h ALA 51 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1a03 h ALA 51 Cb 0.61 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1a03 h ALA 51 CO 0.04 -0.24 0.34 0.93 0.00 0.00 0.00 179.25 180.32 1a03 h GLU 52 N 0.32 0.69 0.27 0.00 4.39 -0.13 -0.12 114.58 120.00 1a03 h GLU 52 Ca 0.24 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1a03 h GLU 52 Cb 0.28 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1a03 h GLU 52 CO -0.26 0.46 -0.30 0.82 -1.16 0.00 0.00 179.01 178.57 1a03 h ILE 53 N 0.70 0.37 -0.68 3.13 2.04 0.59 0.34 117.51 124.01 1a03 h ILE 53 Ca 0.19 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.00 1a03 h ILE 53 Cb -0.07 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1a03 h ILE 53 CO -0.04 0.00 0.21 -0.37 0.00 0.00 0.00 178.15 177.95 1a03 h VAL 54 N -0.61 1.25 -0.30 1.67 -1.51 -0.60 -0.17 116.25 115.98 1a03 h VAL 54 Ca -0.01 -0.86 0.04 0.00 -1.23 0.00 0.00 66.70 64.64 1a03 h VAL 54 Cb 0.57 0.51 -0.04 0.00 -2.13 0.00 0.00 31.29 30.20 1a03 h VAL 54 CO -0.08 0.34 0.06 0.50 -1.23 0.00 0.00 177.57 177.16 1a03 h LYS 55 N 1.00 0.17 0.31 5.19 3.64 -0.78 0.17 116.57 126.27 1a03 h LYS 55 Ca 0.22 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1a03 h LYS 55 Cb 0.29 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1a03 h LYS 55 CO -0.01 0.11 -0.22 1.25 -2.27 0.00 0.00 179.45 178.31 1a03 h LEU 56 N 0.17 -0.58 -0.43 5.20 6.46 -0.14 0.63 115.31 126.62 1a03 h LEU 56 Ca 0.14 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 58.00 1a03 h LEU 56 Cb 0.15 0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.22 1a03 h LEU 56 CO -0.18 -0.35 0.16 0.24 -0.62 0.00 0.00 178.44 177.69 1a03 h MET 57 N -0.53 0.32 0.08 1.25 2.86 -0.87 0.90 114.93 118.94 1a03 h MET 57 Ca -0.02 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1a03 h MET 57 Cb 0.46 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 1a03 h MET 57 CO 0.00 0.21 -0.19 0.22 1.06 0.00 0.00 176.91 178.21 1a03 h ASP 58 N 0.33 -0.54 -0.16 1.22 3.58 -0.39 0.11 116.42 120.57 1a03 h ASP 58 Ca 0.20 0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.75 1a03 h ASP 58 Cb 0.18 0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 1a03 h ASP 58 CO -0.20 -0.27 -0.05 -0.78 -2.88 0.00 0.00 179.24 175.06 1a03 h ASP 59 N -0.35 -0.18 -0.84 2.28 3.58 -0.56 0.14 116.42 120.49 1a03 h ASP 59 Ca 0.03 0.05 0.08 0.00 0.42 0.00 0.00 57.03 57.62 1a03 h ASP 59 Cb 0.39 0.11 -0.07 0.00 1.72 0.00 0.00 39.33 41.48 1a03 h ASP 59 CO -0.12 -0.07 0.50 0.25 -2.88 0.00 0.00 179.24 176.92 1a03 h LEU 60 N -0.02 0.74 0.40 2.28 5.85 -0.47 0.96 115.31 125.06 1a03 h LEU 60 Ca 0.08 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1a03 h LEU 60 Cb 0.14 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1a03 h LEU 60 CO -0.18 0.44 -0.19 -0.78 -0.34 0.00 0.00 178.44 177.40 1a03 h ASP 61 N 0.86 -0.46 -1.03 1.25 1.82 -0.44 -3.25 116.42 115.18 1a03 h ASP 61 Ca 0.39 -0.11 0.26 0.00 -0.39 0.00 0.00 57.03 57.18 1a03 h ASP 61 Cb 0.29 0.12 -0.11 0.00 0.68 0.00 0.00 39.33 40.31 1a03 h ASP 61 CO -0.22 -0.12 0.64 -0.09 -1.61 0.00 0.00 179.24 177.84 1a03 h ARG 62 N -0.83 0.46 -1.05 0.28 1.12 0.07 0.24 114.38 114.66 1a03 h ARG 62 Ca -0.06 -0.03 0.28 0.00 -1.11 0.00 0.00 59.98 59.07 1a03 h ARG 62 Cb 0.54 -0.10 -0.11 0.00 -0.01 0.00 0.00 29.97 30.29 1a03 h ARG 62 CO 0.09 0.30 0.66 -0.97 -3.11 0.00 0.00 179.97 176.94 1a03 h ASN 63 N 0.47 0.50 -0.91 -3.80 -1.24 -0.87 0.01 115.58 109.74 1a03 h ASN 63 Ca 0.63 0.11 -0.45 0.00 0.71 0.00 0.00 56.30 57.30 1a03 h ASN 63 Cb 1.42 0.04 -0.42 0.00 0.73 0.00 0.00 38.32 40.09 1a03 h ASN 63 CO -0.39 0.04 -0.94 2.29 -1.29 0.00 0.00 177.43 177.14 1a03 n LYS 64 N -4.75 2.68 -0.19 6.67 2.85 0.61 -5.07 118.16 120.96 1a03 n LYS 64 Ca 0.28 -3.93 -0.01 0.00 -1.05 0.00 0.00 58.31 53.59 1a03 n LYS 64 Cb 0.91 -1.93 -0.01 0.00 -0.65 0.00 0.00 35.03 33.35 1a03 n LYS 64 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1a03 n ASP 65 N -0.51 -0.32 0.06 -5.58 2.03 0.09 -3.88 116.55 108.44 1a03 n ASP 65 Ca 0.28 -0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1a03 n ASP 65 Cb 0.83 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 1a03 n ASP 65 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1a03 n GLN 66 N 0.81 0.00 -4.10 -0.67 0.00 -1.25 -4.97 117.38 107.20 1a03 n GLN 66 Ca 0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 56.92 1a03 n GLN 66 Cb 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.24 1a03 n GLN 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1a03 s GLU 67 N -1.99 1.39 -0.02 3.69 2.02 -1.25 -0.46 118.70 122.08 1a03 s GLU 67 Ca 0.00 -1.45 0.08 0.00 0.02 0.00 0.00 54.97 53.62 1a03 s GLU 67 Cb 0.00 0.37 -0.02 0.00 0.10 0.00 0.00 34.13 34.58 1a03 s GLU 67 CO 0.00 -0.52 -0.26 0.14 0.02 0.00 0.00 175.26 174.64 1a03 s VAL 68 N -4.06 2.06 0.22 2.63 -7.23 0.04 -4.65 120.40 109.40 1a03 s VAL 68 Ca 0.31 -1.10 -0.07 0.00 -1.81 0.00 0.00 61.98 59.30 1a03 s VAL 68 Cb 0.03 -1.71 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 1a03 s VAL 68 CO 0.11 0.58 0.50 0.21 -0.31 0.00 0.00 175.10 176.19 1a03 s ASN 69 N -0.60 6.55 0.28 4.85 3.84 -1.26 -0.62 114.94 127.98 1a03 s ASN 69 Ca 0.10 0.78 0.02 0.00 0.21 0.00 0.00 52.86 53.96 1a03 s ASN 69 Cb -0.10 -2.17 0.69 0.00 -0.55 0.00 0.00 41.25 39.12 1a03 s ASN 69 CO -0.01 -0.07 1.66 0.15 -2.79 0.00 0.00 177.10 176.05 1a03 h PHE 70 N 2.42 0.43 -0.90 0.43 3.57 -1.83 0.31 116.94 121.37 1a03 h PHE 70 Ca -0.47 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.11 1a03 h PHE 70 Cb 1.17 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 1a03 h PHE 70 CO 0.60 -0.15 0.59 0.37 -2.23 0.00 0.00 178.31 177.49 1a03 h GLN 71 N 0.27 1.12 -0.18 1.11 5.75 -1.94 0.87 115.11 122.09 1a03 h GLN 71 Ca 0.54 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.95 1a03 h GLN 71 Cb 1.06 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 1a03 h GLN 71 CO -0.60 0.74 0.05 0.93 -2.65 0.00 0.00 178.83 177.29 1a03 h GLU 72 N 1.15 0.29 -0.52 1.69 5.08 -0.87 -0.54 114.58 120.87 1a03 h GLU 72 Ca 0.35 -0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.74 1a03 h GLU 72 Cb -0.03 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.09 1a03 h GLU 72 CO -0.10 0.42 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.29 1a03 h TYR 73 N 0.11 -0.27 0.18 4.33 3.20 -0.33 0.36 116.97 124.55 1a03 h TYR 73 Ca 0.06 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1a03 h TYR 73 Cb 0.26 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1a03 h TYR 73 CO 0.01 -0.22 -0.22 0.82 -1.64 0.00 0.00 178.16 176.91 1a03 h ILE 74 N 0.00 0.53 0.00 1.81 1.08 -0.60 -0.06 117.51 120.27 1a03 h ILE 74 Ca 0.25 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.70 1a03 h ILE 74 Cb 0.38 0.53 -0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1a03 h ILE 74 CO -0.53 0.00 -0.09 0.71 -0.69 0.00 0.00 178.15 177.55 1a03 h THR 75 N -0.45 0.60 -0.29 -0.27 1.35 -0.38 -0.28 112.91 113.20 1a03 h THR 75 Ca 0.01 -0.38 -0.04 0.00 -0.55 0.00 0.00 66.41 65.45 1a03 h THR 75 Cb 0.43 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1a03 h THR 75 CO -0.07 0.09 0.03 0.15 -0.25 0.00 0.00 175.52 175.46 1a03 h PHE 76 N 0.00 0.52 -0.40 4.73 3.57 0.55 0.30 116.94 126.21 1a03 h PHE 76 Ca -0.00 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.49 1a03 h PHE 76 Cb 0.23 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 1a03 h PHE 76 CO 0.00 0.60 0.03 1.25 -2.23 0.00 0.00 178.31 177.96 1a03 h LEU 77 N 0.30 -0.10 -0.36 0.59 5.85 0.02 -0.35 115.31 121.26 1a03 h LEU 77 Ca 0.09 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.94 1a03 h LEU 77 Cb 0.37 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 1a03 h LEU 77 CO 0.01 -0.01 -0.56 1.23 -0.34 0.00 0.00 178.44 178.77 1a03 h GLY 78 N 0.14 -1.03 0.61 3.75 0.00 -0.65 -0.16 103.07 105.74 1a03 h GLY 78 Ca 0.20 0.71 0.06 0.00 0.00 0.00 0.00 47.33 48.30 1a03 h GLY 78 CO -0.30 -0.13 0.28 0.00 0.00 0.00 0.00 176.54 176.38 1a03 h ALA 79 N -0.09 0.75 0.24 3.60 0.00 0.34 0.20 119.26 124.30 1a03 h ALA 79 Ca 0.07 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1a03 h ALA 79 Cb 0.61 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1a03 h ALA 79 CO -0.57 -0.09 -0.17 -0.07 0.00 0.00 0.00 179.25 178.35 1a03 h LEU 80 N 0.52 -0.44 -1.13 0.00 3.38 -0.83 -2.97 115.31 113.84 1a03 h LEU 80 Ca 0.27 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.35 1a03 h LEU 80 Cb 0.22 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 1a03 h LEU 80 CO -0.21 -0.27 0.60 0.00 0.09 0.00 0.00 178.44 178.65 1a03 h ALA 81 N 0.32 1.54 0.00 1.53 0.00 0.19 -1.28 119.26 121.57 1a03 h ALA 81 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a03 h ALA 81 Cb 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1a03 h ALA 81 CO -0.00 0.29 0.25 0.52 0.00 0.00 0.00 179.25 180.31 1a03 h MET 82 N 0.99 0.00 -0.65 0.00 2.86 -0.49 0.81 114.93 118.46 1a03 h MET 82 Ca 0.42 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.17 1a03 h MET 82 Cb 0.31 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1a03 h MET 82 CO -0.18 0.00 0.43 0.82 1.06 0.00 0.00 176.91 179.05 1a03 h ILE 83 N 0.00 0.87 -6.06 -1.22 2.04 -1.28 -3.47 117.51 108.39 1a03 h ILE 83 Ca 0.00 -0.15 -0.24 0.00 1.00 0.00 0.00 64.86 65.47 1a03 h ILE 83 Cb 0.50 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1a03 h ILE 83 CO 0.00 0.08 -0.85 -1.22 0.00 0.00 0.00 178.15 176.16 1a03 n TYR 84 N -4.47 -2.89 -0.86 1.37 4.01 0.28 -4.75 117.16 109.84 1a03 n TYR 84 Ca 0.11 1.18 -0.37 0.00 -0.16 0.00 0.00 57.90 58.66 1a03 n TYR 84 Cb 0.41 -2.89 -0.08 0.00 -0.31 0.00 0.00 39.34 36.46 1a03 n TYR 84 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1a03 n ASN 85 N -0.74 0.42 -3.73 7.72 6.94 -1.26 0.12 115.26 124.74 1a03 n ASN 85 Ca -0.05 0.37 -0.25 0.00 -0.02 0.00 0.00 54.58 54.63 1a03 n ASN 85 Cb 0.60 -0.60 0.05 0.00 -2.36 0.00 0.00 39.78 37.47 1a03 n ASN 85 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1a03 n GLU 86 N 5.10 -6.23 -3.79 -3.83 1.02 -1.26 -0.33 120.64 111.32 1a03 n GLU 86 Ca 0.38 0.70 -0.27 0.00 -0.02 0.00 0.00 57.16 57.95 1a03 n GLU 86 Cb -0.02 -5.58 0.04 0.00 -0.02 0.00 0.00 31.44 25.87 1a03 n GLU 86 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a03 n ALA 87 N -4.63 -1.41 -3.58 0.62 0.00 0.12 -1.57 120.51 110.05 1a03 n ALA 87 Ca -0.07 0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.34 1a03 n ALA 87 Cb 0.58 -4.39 0.08 0.00 0.00 0.00 0.00 19.45 15.73 1a03 n ALA 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1a03 n LEU 88 N -4.71 -3.50 0.00 0.00 7.94 0.55 -5.01 117.00 112.27 1a03 n LEU 88 Ca -0.02 -0.58 0.00 0.00 -1.11 0.00 0.00 56.01 54.30 1a03 n LEU 88 Cb 0.56 -3.02 0.00 0.00 0.53 0.00 0.00 43.42 41.49 1a03 n LEU 88 CO 0.71 0.57 0.00 1.17 -1.11 0.00 0.00 177.39 178.74 1a03 n LYS 89 N -4.76 0.00 0.00 1.96 3.00 0.41 -4.99 118.16 113.78 1a03 n LYS 89 Ca -0.07 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.26 1a03 n LYS 89 Cb 0.59 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.71 1a03 n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81