#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 -2.00 0.13 -5.12 0.00 -1.26 -5.09 121.76 108.42 1a03 s ALA 2 Ca 0.00 2.37 -0.33 0.00 0.00 0.00 0.00 51.96 54.00 1a03 s ALA 2 Cb 0.00 -1.61 -0.11 0.00 0.00 0.00 0.00 23.12 21.41 1a03 s ALA 2 CO 0.00 -0.61 1.54 0.66 0.00 0.00 0.00 175.76 177.35 1a03 h SER 3 N 7.35 -1.89 0.00 0.00 4.64 -2.07 -1.86 113.55 119.72 1a03 h SER 3 Ca -0.25 0.25 -0.66 0.00 -0.47 0.00 0.00 61.79 60.67 1a03 h SER 3 Cb 1.17 0.78 0.03 0.00 -0.31 0.00 0.00 62.40 64.07 1a03 h SER 3 CO 0.14 -0.39 3.80 -0.81 -0.87 0.00 0.00 176.83 178.70 1a03 n PRO 4 N -5.35 3.62 -0.33 4.77 -0.04 -1.26 -4.76 135.00 131.66 1a03 n PRO 4 Ca -0.03 -2.17 -0.10 0.00 -0.04 0.00 0.00 63.50 61.17 1a03 n PRO 4 Cb 0.33 -2.79 -0.07 0.00 -0.04 0.00 0.00 33.50 30.94 1a03 n PRO 4 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1a03 h LEU 5 N 7.08 -1.89 -0.33 1.53 3.38 -1.77 -0.81 115.31 122.50 1a03 h LEU 5 Ca 0.86 0.30 0.03 0.00 0.09 0.00 0.00 57.88 59.16 1a03 h LEU 5 Cb 0.28 0.85 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1a03 h LEU 5 CO 1.77 -0.29 0.15 -2.24 0.09 0.00 0.00 178.44 177.92 1a03 h ASP 6 N -0.11 0.20 -0.46 -0.43 2.03 -1.88 0.16 116.42 115.93 1a03 h ASP 6 Ca 0.18 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 1a03 h ASP 6 Cb 0.50 -0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 38.97 1a03 h ASP 6 CO -0.84 0.15 0.29 1.56 -1.03 0.00 0.00 179.24 179.38 1a03 h GLN 7 N 0.31 0.62 0.55 4.15 4.20 -1.78 0.17 115.11 123.32 1a03 h GLN 7 Ca 0.14 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1a03 h GLN 7 Cb 0.08 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 27.73 1a03 h GLN 7 CO -0.12 0.43 -0.26 0.00 -0.67 0.00 0.00 178.83 178.21 1a03 h ALA 8 N 1.15 -0.82 -0.57 3.87 0.00 -0.18 0.27 119.26 122.99 1a03 h ALA 8 Ca 0.17 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1a03 h ALA 8 Cb -0.04 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1a03 h ALA 8 CO -0.03 -0.76 -0.06 0.97 0.00 0.00 0.00 179.25 179.37 1a03 h ILE 9 N -1.08 1.27 -0.00 0.00 2.10 -0.79 -0.49 117.51 118.52 1a03 h ILE 9 Ca -0.08 -1.21 0.01 0.00 1.08 0.00 0.00 64.86 64.66 1a03 h ILE 9 Cb 0.57 0.89 -0.01 0.00 -1.09 0.00 0.00 36.82 37.18 1a03 h ILE 9 CO 0.12 0.43 -0.05 1.23 -1.08 0.00 0.00 178.15 178.81 1a03 h GLY 10 N 0.93 -0.05 0.75 8.18 0.00 -0.73 0.71 103.07 112.87 1a03 h GLY 10 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1a03 h GLY 10 CO 0.04 -0.05 -0.21 -2.00 0.00 0.00 0.00 176.54 174.32 1a03 h LEU 11 N -0.08 -0.55 -0.19 3.11 5.85 -0.72 0.22 115.31 122.95 1a03 h LEU 11 Ca 0.02 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1a03 h LEU 11 Cb 0.11 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1a03 h LEU 11 CO -0.05 -0.31 -0.09 0.25 -0.34 0.00 0.00 178.44 177.91 1a03 h LEU 12 N -0.45 -0.29 -0.71 2.25 5.85 -0.84 0.14 115.31 121.26 1a03 h LEU 12 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1a03 h LEU 12 Cb 0.42 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1a03 h LEU 12 CO -0.05 -0.12 0.41 0.40 -0.34 0.00 0.00 178.44 178.74 1a03 h ILE 13 N -0.06 1.21 0.01 4.05 2.04 -0.80 -1.10 117.51 122.86 1a03 h ILE 13 Ca 0.10 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.48 1a03 h ILE 13 Cb 0.22 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1a03 h ILE 13 CO -0.24 0.23 -0.29 1.23 0.00 0.00 0.00 178.15 179.09 1a03 h GLY 14 N 0.98 -0.47 1.33 5.37 0.00 0.68 0.19 103.07 111.15 1a03 h GLY 14 Ca 0.25 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1a03 h GLY 14 CO -0.04 -0.22 0.43 -2.22 0.00 0.00 0.00 176.54 174.48 1a03 h ILE 15 N -0.44 1.18 0.56 2.60 1.08 -0.58 0.28 117.51 122.19 1a03 h ILE 15 Ca 0.06 -0.35 -0.03 0.00 -0.39 0.00 0.00 64.86 64.15 1a03 h ILE 15 Cb 0.52 0.21 0.01 0.00 -3.07 0.00 0.00 36.82 34.48 1a03 h ILE 15 CO -0.24 0.18 -0.27 0.15 -0.69 0.00 0.00 178.15 177.28 1a03 h PHE 16 N 0.92 -0.70 0.00 1.37 3.57 -0.52 -2.99 116.94 118.58 1a03 h PHE 16 Ca 0.24 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1a03 h PHE 16 Cb -0.08 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1a03 h PHE 16 CO 0.00 -0.43 -0.05 1.25 -2.23 0.00 0.00 178.31 176.85 1a03 h HIS 17 N -0.77 0.00 -0.56 0.41 2.76 0.02 0.11 115.15 117.11 1a03 h HIS 17 Ca -0.08 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.18 1a03 h HIS 17 Cb 0.59 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.48 1a03 h HIS 17 CO -0.03 0.05 0.17 -0.22 -1.30 0.00 0.00 177.93 176.59 1a03 h LYS 18 N 0.00 0.31 0.05 5.26 3.64 -0.32 0.40 116.57 125.92 1a03 h LYS 18 Ca -0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1a03 h LYS 18 Cb 0.13 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1a03 h LYS 18 CO 0.01 0.21 -0.02 1.88 -2.27 0.00 0.00 179.45 179.25 1a03 h TYR 19 N 0.32 -0.06 -0.21 1.91 0.05 -0.91 -3.36 116.97 114.71 1a03 h TYR 19 Ca 0.28 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.12 1a03 h TYR 19 Cb 0.37 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 1a03 h TYR 19 CO -0.20 -0.04 0.30 0.77 -1.05 0.00 0.00 178.16 177.94 1a03 h SER 20 N -0.63 0.00 -1.04 3.88 0.02 -0.97 -0.70 113.55 114.11 1a03 h SER 20 Ca -0.01 0.00 0.30 0.00 -0.84 0.00 0.00 61.79 61.24 1a03 h SER 20 Cb 0.05 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1a03 h SER 20 CO 0.01 0.00 0.74 1.23 -1.14 0.00 0.00 176.83 177.67 1a03 h GLY 21 N 0.00 0.06 -5.15 -3.77 0.00 -0.34 0.13 103.07 94.00 1a03 h GLY 21 Ca 0.10 -0.01 -0.47 0.00 0.00 0.00 0.00 47.33 46.95 1a03 h GLY 21 CO -0.00 -0.01 2.82 0.28 0.00 0.00 0.00 176.54 179.63 1a03 n LYS 22 N -4.24 2.66 -3.81 4.80 4.01 -0.27 -4.59 118.16 116.71 1a03 n LYS 22 Ca 0.22 -1.67 -0.24 0.00 -0.51 0.00 0.00 58.31 56.10 1a03 n LYS 22 Cb 1.09 -2.53 0.02 0.00 -0.51 0.00 0.00 35.03 33.10 1a03 n LYS 22 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1a03 n GLU 23 N 3.80 -4.59 -0.19 1.97 -0.58 -1.17 -4.91 120.64 114.97 1a03 n GLU 23 Ca 0.57 0.56 -0.09 0.00 -0.42 0.00 0.00 57.16 57.78 1a03 n GLU 23 Cb 0.23 -5.08 0.02 0.00 -0.57 0.00 0.00 31.44 26.03 1a03 n GLU 23 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1a03 h GLY 24 N -1.89 0.94 0.00 0.62 0.00 -0.98 -3.46 103.07 98.29 1a03 h GLY 24 Ca -0.61 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.13 1a03 h GLY 24 CO 0.60 0.55 0.00 1.34 0.00 0.00 0.00 176.54 179.03 1a03 n ASP 25 N -4.41 0.00 -4.77 0.19 2.03 -1.26 -4.77 116.55 103.55 1a03 n ASP 25 Ca 0.02 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.95 1a03 n ASP 25 Cb 0.23 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.61 1a03 n ASP 25 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1a03 s LYS 26 N 0.00 4.10 -0.69 -0.67 1.02 -1.26 -4.88 119.74 117.35 1a03 s LYS 26 Ca 0.00 1.81 -0.24 0.00 0.02 0.00 0.00 55.97 57.55 1a03 s LYS 26 Cb 0.00 -2.70 -0.20 0.00 -0.52 0.00 0.00 37.83 34.42 1a03 s LYS 26 CO 0.00 -0.27 1.87 0.72 -0.92 0.00 0.00 175.35 176.75 1a03 n HIS 27 N 0.13 1.57 -4.09 3.18 8.25 -1.26 -4.72 115.22 118.28 1a03 n HIS 27 Ca 0.04 -1.38 -0.11 0.00 -0.26 0.00 0.00 57.72 56.01 1a03 n HIS 27 Cb 0.47 -1.71 -0.07 0.00 1.12 0.00 0.00 29.99 29.80 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 7.14 0.00 -0.25 1.59 -4.23 -1.26 -1.49 115.64 117.14 1a03 s THR 28 Ca 0.63 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 59.50 1a03 s THR 28 Cb 0.11 -2.37 0.06 0.00 1.34 0.00 0.00 72.50 71.63 1a03 s THR 28 CO 0.18 0.00 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.93 1a03 s LEU 29 N -3.10 3.14 0.37 4.79 0.20 0.49 -4.56 118.68 120.01 1a03 s LEU 29 Ca 0.30 -1.28 0.00 0.00 0.69 0.00 0.00 54.13 53.85 1a03 s LEU 29 Cb 0.02 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.28 1a03 s LEU 29 CO 0.12 -0.18 0.58 -0.55 -0.29 0.00 0.00 176.35 176.03 1a03 s SER 30 N 1.18 6.21 0.02 3.68 0.15 -1.26 -0.79 113.70 122.88 1a03 s SER 30 Ca -0.07 0.44 -0.04 0.00 0.70 0.00 0.00 55.95 56.98 1a03 s SER 30 Cb -0.19 -1.95 -0.01 0.00 -1.71 0.00 0.00 66.02 62.16 1a03 s SER 30 CO -0.06 -0.38 0.27 1.17 1.20 0.00 0.00 173.24 175.44 1a03 n LYS 31 N -1.85 -0.05 -0.20 5.44 3.00 0.42 0.27 118.16 125.18 1a03 n LYS 31 Ca -0.03 0.27 -0.03 0.00 -0.00 0.00 0.00 58.31 58.52 1a03 n LYS 31 Cb 0.56 -0.39 0.04 0.00 0.00 0.00 0.00 35.03 35.24 1a03 n LYS 31 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 1a03 h LYS 32 N 0.00 -0.08 -0.05 1.64 2.10 -1.95 0.15 116.57 118.38 1a03 h LYS 32 Ca 0.02 0.01 -0.19 0.00 -2.00 0.00 0.00 60.65 58.49 1a03 h LYS 32 Cb 0.05 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 1a03 h LYS 32 CO -0.11 -0.05 -0.77 0.93 -2.00 0.00 0.00 179.45 177.45 1a03 h GLU 33 N -0.08 0.36 -0.27 0.07 5.08 -0.54 -0.85 114.58 118.35 1a03 h GLU 33 Ca 0.27 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1a03 h GLU 33 Cb 0.51 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1a03 h GLU 33 CO -0.66 0.97 0.07 1.25 -1.00 0.00 0.00 179.01 179.63 1a03 h LEU 34 N 0.23 0.40 -0.31 1.33 5.85 0.00 0.63 115.31 123.44 1a03 h LEU 34 Ca -0.04 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.50 1a03 h LEU 34 Cb 1.36 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 1a03 h LEU 34 CO 0.13 0.53 0.06 0.11 -0.34 0.00 0.00 178.44 178.92 1a03 h LYS 35 N 0.26 0.17 -0.08 1.25 1.57 -0.62 0.97 116.57 120.07 1a03 h LYS 35 Ca 0.08 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1a03 h LYS 35 Cb 0.28 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 1a03 h LYS 35 CO 0.00 0.11 -0.36 1.49 -0.57 0.00 0.00 179.45 180.12 1a03 h GLU 36 N 0.17 -0.44 -0.12 3.15 4.81 -0.80 0.16 114.58 121.51 1a03 h GLU 36 Ca 0.15 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1a03 h GLU 36 Cb 0.16 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 1a03 h GLU 36 CO -0.19 -0.30 -0.16 1.25 -0.73 0.00 0.00 179.01 178.88 1a03 h LEU 37 N -0.46 -0.50 -0.50 1.64 5.85 -0.59 -0.92 115.31 119.82 1a03 h LEU 37 Ca 0.08 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1a03 h LEU 37 Cb 0.58 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 1a03 h LEU 37 CO -0.34 -0.21 0.11 0.40 -0.34 0.00 0.00 178.44 178.06 1a03 h ILE 38 N -0.21 0.73 -0.03 4.05 2.04 -0.45 0.61 117.51 124.24 1a03 h ILE 38 Ca 0.09 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1a03 h ILE 38 Cb 0.34 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1a03 h ILE 38 CO -0.24 0.05 -0.12 -0.61 0.00 0.00 0.00 178.15 177.22 1a03 h GLN 39 N 0.25 -0.18 -0.06 2.37 -0.00 -0.09 0.19 115.11 117.59 1a03 h GLN 39 Ca 0.25 0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.95 1a03 h GLN 39 Cb 0.33 0.04 -0.04 0.00 0.00 0.00 0.00 27.48 27.81 1a03 h GLN 39 CO -0.32 -0.12 -0.17 0.87 0.00 0.00 0.00 178.83 179.09 1a03 h LYS 40 N -0.19 -0.24 -0.92 1.69 1.57 -0.34 0.33 116.57 118.46 1a03 h LYS 40 Ca 0.06 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.96 1a03 h LYS 40 Cb 0.26 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 1a03 h LYS 40 CO -0.15 -0.16 0.59 0.93 -0.57 0.00 0.00 179.45 180.09 1a03 h GLU 41 N -0.25 0.85 -0.32 3.15 5.08 -0.56 -1.39 114.58 121.14 1a03 h GLU 41 Ca 0.07 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 1a03 h GLU 41 Cb 0.35 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1a03 h GLU 41 CO -0.20 0.56 -0.49 1.25 -1.00 0.00 0.00 179.01 179.13 1a03 h LEU 42 N 0.87 0.98 0.00 1.33 5.85 0.22 -3.47 115.31 121.09 1a03 h LEU 42 Ca 0.44 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1a03 h LEU 42 Cb 0.49 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1a03 h LEU 42 CO -0.20 1.30 0.00 0.41 -0.34 0.00 0.00 178.44 179.60 1a03 n THR 43 N -4.02 0.00 -2.22 1.05 -1.04 0.11 -0.47 114.28 107.68 1a03 n THR 43 Ca -0.04 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.99 1a03 n THR 43 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1a03 n THR 43 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1a03 n ILE 44 N 0.00 0.00 -0.58 12.58 -5.35 -1.26 -4.91 119.36 119.83 1a03 n ILE 44 Ca 0.00 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1a03 n ILE 44 Cb 0.00 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 38.59 1a03 n ILE 44 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a03 n GLY 45 N 0.22 -1.74 0.00 3.28 0.00 0.38 -5.10 105.19 102.24 1a03 n GLY 45 Ca 0.01 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1a03 n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a03 n SER 46 N -2.37 0.00 0.10 1.61 3.41 -1.26 -4.98 113.62 110.13 1a03 n SER 46 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1a03 n SER 46 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1a03 n SER 46 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1a03 h LYS 47 N 0.00 -0.35 -0.12 4.33 6.56 -1.98 0.18 116.57 125.18 1a03 h LYS 47 Ca 0.00 0.02 0.02 0.00 -1.06 0.00 0.00 60.65 59.63 1a03 h LYS 47 Cb 0.00 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 1a03 h LYS 47 CO 0.00 -0.23 0.02 -0.07 -2.06 0.00 0.00 179.45 177.11 1a03 h LEU 48 N -0.36 0.00 -0.38 2.94 -0.00 -1.99 0.97 115.31 116.50 1a03 h LEU 48 Ca -0.02 0.02 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 1a03 h LEU 48 Cb 0.31 0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 40.96 1a03 h LEU 48 CO -0.02 0.02 0.14 1.56 -0.00 0.00 0.00 178.44 180.14 1a03 h GLN 49 N 0.07 0.29 -0.29 1.13 7.50 -1.94 -0.81 115.11 121.07 1a03 h GLN 49 Ca 0.05 -0.02 -0.11 0.00 0.50 0.00 0.00 58.65 59.07 1a03 h GLN 49 Cb 0.05 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.50 1a03 h GLN 49 CO -0.07 0.19 -0.30 0.22 -1.50 0.00 0.00 178.83 177.37 1a03 h ASP 50 N 0.30 0.61 -0.60 1.46 3.58 -0.13 0.48 116.42 122.13 1a03 h ASP 50 Ca 0.17 -0.23 0.09 0.00 0.42 0.00 0.00 57.03 57.48 1a03 h ASP 50 Cb 0.14 -0.17 -0.07 0.00 1.72 0.00 0.00 39.33 40.95 1a03 h ASP 50 CO -0.17 0.88 0.22 0.00 -2.88 0.00 0.00 179.24 177.29 1a03 h ALA 51 N 1.16 0.76 -0.28 -0.78 0.00 -0.35 0.23 119.26 120.01 1a03 h ALA 51 Ca 0.06 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1a03 h ALA 51 Cb 0.77 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1a03 h ALA 51 CO 0.06 -0.19 -0.06 0.93 0.00 0.00 0.00 179.25 179.99 1a03 h GLU 52 N 0.41 0.44 -0.54 0.00 4.39 -0.03 -0.28 114.58 118.96 1a03 h GLU 52 Ca 0.30 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1a03 h GLU 52 Cb 0.36 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1a03 h GLU 52 CO -0.30 0.52 0.26 0.82 -1.16 0.00 0.00 179.01 179.15 1a03 h ILE 53 N 0.42 1.20 -0.12 3.13 1.08 0.21 0.18 117.51 123.62 1a03 h ILE 53 Ca 0.09 -0.58 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1a03 h ILE 53 Cb 0.38 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1a03 h ILE 53 CO 0.02 0.23 0.07 0.58 -0.69 0.00 0.00 178.15 178.36 1a03 h VAL 54 N 0.73 1.08 -0.36 1.67 2.07 -0.29 0.16 116.25 121.32 1a03 h VAL 54 Ca 0.19 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1a03 h VAL 54 Cb 0.13 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1a03 h VAL 54 CO -0.02 0.07 0.07 0.50 0.02 0.00 0.00 177.57 178.21 1a03 h LYS 55 N 0.11 0.18 -0.10 1.57 3.64 -0.89 0.03 116.57 121.12 1a03 h LYS 55 Ca 0.04 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1a03 h LYS 55 Cb 0.06 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1a03 h LYS 55 CO -0.01 0.12 -0.03 1.25 -2.27 0.00 0.00 179.45 178.51 1a03 h LEU 56 N 0.19 -0.10 -0.13 5.20 5.85 -0.31 0.39 115.31 126.40 1a03 h LEU 56 Ca 0.17 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1a03 h LEU 56 Cb 0.20 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1a03 h LEU 56 CO -0.23 -0.04 -0.28 -0.03 -0.34 0.00 0.00 178.44 177.52 1a03 h MET 57 N -0.01 -0.34 -0.19 1.25 4.05 -0.29 0.22 114.93 119.63 1a03 h MET 57 Ca 0.05 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.54 1a03 h MET 57 Cb 0.08 0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 30.90 1a03 h MET 57 CO -0.10 -0.23 -0.17 0.22 0.23 0.00 0.00 176.91 176.86 1a03 h ASP 58 N -0.36 -0.53 -0.31 1.39 3.58 -0.59 0.13 116.42 119.73 1a03 h ASP 58 Ca 0.10 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 1a03 h ASP 58 Cb 0.51 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 1a03 h ASP 58 CO -0.33 -0.21 0.17 -0.78 -2.88 0.00 0.00 179.24 175.21 1a03 h ASP 59 N -0.18 0.39 0.11 2.28 3.58 -0.55 -3.35 116.42 118.71 1a03 h ASP 59 Ca 0.12 -0.09 -0.14 0.00 0.42 0.00 0.00 57.03 57.33 1a03 h ASP 59 Cb 0.35 -0.10 0.02 0.00 1.72 0.00 0.00 39.33 41.32 1a03 h ASP 59 CO -0.30 0.37 -0.63 0.25 -2.88 0.00 0.00 179.24 176.06 1a03 h LEU 60 N 0.38 0.37 -6.11 2.28 5.85 -0.29 -3.41 115.31 114.37 1a03 h LEU 60 Ca 0.11 -0.96 -0.62 0.00 0.84 0.00 0.00 57.88 57.25 1a03 h LEU 60 Cb 0.07 -0.12 0.02 0.00 0.37 0.00 0.00 40.66 41.00 1a03 h LEU 60 CO -0.02 1.30 2.63 -0.67 -0.34 0.00 0.00 178.44 181.35 1a03 n ASP 61 N -4.23 3.56 -2.59 1.25 2.03 0.41 -4.76 116.55 112.22 1a03 n ASP 61 Ca -0.13 -2.65 -0.24 0.00 0.52 0.00 0.00 54.79 52.29 1a03 n ASP 61 Cb 0.74 -1.26 -0.11 0.00 -0.72 0.00 0.00 41.12 39.78 1a03 n ASP 61 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1a03 n ARG 62 N 6.15 2.72 0.00 -0.67 3.00 -1.26 -4.27 116.66 122.33 1a03 n ARG 62 Ca 0.51 -1.52 0.00 0.00 -0.00 0.00 0.00 57.85 56.84 1a03 n ARG 62 Cb 0.35 -2.35 0.00 0.00 0.00 0.00 0.00 32.46 30.46 1a03 n ARG 62 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1a03 n ASN 63 N 3.00 0.00 -3.55 6.15 5.15 -1.26 -4.99 115.26 119.76 1a03 n ASN 63 Ca 0.58 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 54.49 1a03 n ASN 63 Cb 0.60 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.82 1a03 n ASN 63 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1a03 s LYS 64 N 0.64 0.62 -1.18 1.20 -2.85 -1.26 -5.07 119.74 111.84 1a03 s LYS 64 Ca 0.00 -0.14 -0.17 0.00 -1.00 0.00 0.00 55.97 54.65 1a03 s LYS 64 Cb 0.00 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 1a03 s LYS 64 CO 0.00 -0.25 2.09 -3.47 0.10 0.00 0.00 175.35 173.81 1a03 n ASP 65 N 0.04 3.36 0.08 0.03 2.03 -1.26 -3.66 116.55 117.17 1a03 n ASP 65 Ca -0.06 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.47 1a03 n ASP 65 Cb 0.60 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 1a03 n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a03 n GLN 66 N 6.58 0.00 -3.87 -0.67 6.02 -1.26 -5.00 117.38 119.18 1a03 n GLN 66 Ca 0.51 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 57.39 1a03 n GLN 66 Cb 0.40 -0.23 -0.09 0.00 1.02 0.00 0.00 30.24 31.33 1a03 n GLN 66 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1a03 s GLU 67 N -2.00 0.55 0.12 -1.09 2.02 -1.24 -0.44 118.70 116.62 1a03 s GLU 67 Ca 0.00 -0.50 0.09 0.00 0.02 0.00 0.00 54.97 54.58 1a03 s GLU 67 Cb 0.00 0.23 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 1a03 s GLU 67 CO 0.00 -0.14 -0.19 0.14 0.02 0.00 0.00 175.26 175.09 1a03 s VAL 68 N -1.82 2.75 0.40 2.63 -7.23 0.03 -4.49 120.40 112.66 1a03 s VAL 68 Ca -0.11 -1.56 -0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1a03 s VAL 68 Cb -0.05 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1a03 s VAL 68 CO -0.00 0.09 0.63 0.21 -0.31 0.00 0.00 175.10 175.72 1a03 s ASN 69 N -2.16 6.27 0.33 4.85 3.84 -1.26 -0.38 114.94 126.43 1a03 s ASN 69 Ca 0.18 0.61 0.10 0.00 0.21 0.00 0.00 52.86 53.95 1a03 s ASN 69 Cb -0.10 -2.09 0.97 0.00 -0.55 0.00 0.00 41.25 39.48 1a03 s ASN 69 CO 0.10 -0.40 1.62 0.15 -2.79 0.00 0.00 177.10 175.77 1a03 h PHE 70 N 0.56 0.52 -0.69 0.43 3.57 -1.58 0.42 116.94 120.16 1a03 h PHE 70 Ca -0.49 0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.20 1a03 h PHE 70 Cb 1.21 -0.07 -0.10 0.00 2.79 0.00 0.00 35.95 39.79 1a03 h PHE 70 CO 0.53 -0.32 0.18 0.37 -2.23 0.00 0.00 178.31 176.83 1a03 h GLN 71 N 0.13 0.28 -0.26 1.11 -0.00 -1.93 0.13 115.11 114.57 1a03 h GLN 71 Ca 0.68 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.65 59.19 1a03 h GLN 71 Cb 1.57 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.97 1a03 h GLN 71 CO -0.74 0.19 -0.35 0.93 0.00 0.00 0.00 178.83 178.86 1a03 h GLU 72 N 0.29 0.58 -0.45 1.69 5.08 -0.56 0.67 114.58 121.88 1a03 h GLU 72 Ca 0.38 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1a03 h GLU 72 Cb 0.61 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1a03 h GLU 72 CO -0.46 0.85 0.29 -0.92 -1.00 0.00 0.00 179.01 177.77 1a03 h TYR 73 N 0.49 0.55 -0.50 4.33 3.20 -0.08 0.36 116.97 125.32 1a03 h TYR 73 Ca 0.05 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.99 1a03 h TYR 73 Cb 0.84 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.87 1a03 h TYR 73 CO 0.03 0.34 0.23 0.82 -1.64 0.00 0.00 178.16 177.94 1a03 h ILE 74 N 0.59 0.92 -0.63 1.81 1.08 -0.36 -0.43 117.51 120.49 1a03 h ILE 74 Ca 0.17 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 1a03 h ILE 74 Cb -0.05 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 1a03 h ILE 74 CO -0.05 0.08 0.34 0.74 -0.69 0.00 0.00 178.15 178.58 1a03 h THR 75 N 0.45 1.19 -0.09 -0.27 2.02 -0.26 -0.82 112.91 115.13 1a03 h THR 75 Ca 0.23 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 66.95 1a03 h THR 75 Cb 0.17 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1a03 h THR 75 CO -0.18 0.21 -0.06 0.15 0.37 0.00 0.00 175.52 176.01 1a03 h PHE 76 N 0.87 -0.14 -0.31 3.16 3.04 0.65 0.22 116.94 124.43 1a03 h PHE 76 Ca 0.22 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.25 1a03 h PHE 76 Cb 0.03 0.08 -0.07 0.00 2.56 0.00 0.00 35.95 38.54 1a03 h PHE 76 CO 0.01 -0.09 -0.20 1.25 -2.02 0.00 0.00 178.31 177.25 1a03 h LEU 77 N -0.06 -0.66 0.02 0.59 5.85 -0.33 0.03 115.31 120.75 1a03 h LEU 77 Ca 0.06 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.95 1a03 h LEU 77 Cb 0.15 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1a03 h LEU 77 CO -0.13 -0.24 -0.34 1.23 -0.34 0.00 0.00 178.44 178.63 1a03 h GLY 78 N -0.17 -0.58 0.45 3.75 0.00 -0.69 0.41 103.07 106.23 1a03 h GLY 78 Ca 0.16 0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.93 1a03 h GLY 78 CO -0.41 -0.24 -0.19 0.00 0.00 0.00 0.00 176.54 175.70 1a03 h ALA 79 N 0.18 -0.18 -0.14 3.60 0.00 0.09 -1.01 119.26 121.80 1a03 h ALA 79 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1a03 h ALA 79 Cb 0.58 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1a03 h ALA 79 CO -0.26 -0.66 0.08 -0.07 0.00 0.00 0.00 179.25 178.33 1a03 h LEU 80 N -0.27 0.17 -1.73 0.00 -0.00 -0.95 -2.81 115.31 109.73 1a03 h LEU 80 Ca 0.08 -0.08 0.23 0.00 -0.00 0.00 0.00 57.88 58.12 1a03 h LEU 80 Cb 0.39 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 40.95 1a03 h LEU 80 CO -0.23 0.20 0.62 0.00 -0.00 0.00 0.00 178.44 179.03 1a03 h ALA 81 N 0.98 2.50 -0.28 1.53 0.00 -0.22 -1.16 119.26 122.60 1a03 h ALA 81 Ca 0.05 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1a03 h ALA 81 Cb 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1a03 h ALA 81 CO -0.01 -0.78 0.64 0.52 0.00 0.00 0.00 179.25 179.62 1a03 h MET 82 N 0.21 0.00 -0.94 0.00 2.86 -0.93 0.91 114.93 117.05 1a03 h MET 82 Ca 0.46 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 58.33 1a03 h MET 82 Cb 1.44 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.97 1a03 h MET 82 CO -0.11 0.00 0.47 0.97 1.06 0.00 0.00 176.91 179.31 1a03 h ILE 83 N 0.00 0.48 0.00 -1.22 2.10 -1.40 -3.44 117.51 114.03 1a03 h ILE 83 Ca 0.13 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1a03 h ILE 83 Cb 1.41 -0.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.13 1a03 h ILE 83 CO -0.00 0.08 0.00 -1.22 -1.08 0.00 0.00 178.15 175.93 1a03 n TYR 84 N -5.00 0.00 -0.04 2.19 4.01 0.31 -4.64 117.16 114.00 1a03 n TYR 84 Ca 0.25 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.98 1a03 n TYR 84 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.74 1a03 n TYR 84 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1a03 n ASN 85 N 0.07 -0.10 0.15 7.72 5.15 -1.26 -0.14 115.26 126.85 1a03 n ASN 85 Ca 0.00 0.22 -0.00 0.00 -0.60 0.00 0.00 54.58 54.19 1a03 n ASN 85 Cb 0.00 -0.05 0.21 0.00 -0.53 0.00 0.00 39.78 39.42 1a03 n ASN 85 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1a03 h GLU 86 N 0.00 0.00 0.10 1.20 3.07 -1.98 -1.44 114.58 115.53 1a03 h GLU 86 Ca 0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1a03 h GLU 86 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1a03 h GLU 86 CO -0.09 0.56 -0.05 0.00 -1.40 0.00 0.00 179.01 178.04 1a03 h ALA 87 N 1.44 -0.14 0.00 3.43 0.00 -0.91 -3.34 119.26 119.74 1a03 h ALA 87 Ca -0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1a03 h ALA 87 Cb 1.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1a03 h ALA 87 CO 0.07 -0.14 -0.22 1.28 0.00 0.00 0.00 179.25 180.24 1a03 n LEU 88 N -4.85 5.12 -0.11 0.00 4.77 0.34 -4.52 117.00 117.74 1a03 n LEU 88 Ca -0.03 -2.80 -0.06 0.00 -0.03 0.00 0.00 56.01 53.08 1a03 n LEU 88 Cb 0.12 -1.27 0.12 0.00 -2.33 0.00 0.00 43.42 40.06 1a03 n LEU 88 CO 0.09 1.38 0.81 0.50 -1.33 0.00 0.00 177.39 178.85 1a03 h LYS 89 N 2.33 0.81 0.00 3.23 3.64 -1.39 -3.43 116.57 121.76 1a03 h LYS 89 Ca 0.11 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1a03 h LYS 89 Cb 1.28 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1a03 h LYS 89 CO 0.15 0.87 0.00 0.41 -2.27 0.00 0.00 179.45 178.60