#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a03 n ALA 2 N 0.00 3.54 -0.28 3.04 0.00 -1.26 -4.75 120.51 120.80 1a03 n ALA 2 Ca 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 53.44 52.18 1a03 n ALA 2 Cb 0.00 -2.76 0.18 0.00 0.00 0.00 0.00 19.45 16.87 1a03 n ALA 2 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1a03 h SER 3 N 6.48 0.57 -1.15 0.00 0.02 -2.06 -1.26 113.55 116.16 1a03 h SER 3 Ca 0.30 0.06 0.34 0.00 -0.84 0.00 0.00 61.79 61.66 1a03 h SER 3 Cb 0.19 -0.04 -0.11 0.00 0.14 0.00 0.00 62.40 62.58 1a03 h SER 3 CO 1.16 0.30 0.74 -0.65 -1.14 0.00 0.00 176.83 177.24 1a03 h PRO 4 N 0.69 0.25 -0.07 3.45 0.11 -1.99 0.30 132.00 134.75 1a03 h PRO 4 Ca 0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1a03 h PRO 4 Cb 0.45 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1a03 h PRO 4 CO -0.29 0.17 0.03 -0.07 -0.21 0.00 0.00 178.00 177.63 1a03 h LEU 5 N 0.26 0.05 -0.52 2.35 3.38 -1.63 0.92 115.31 120.12 1a03 h LEU 5 Ca 0.69 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.51 1a03 h LEU 5 Cb 1.94 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1a03 h LEU 5 CO -0.36 0.04 -0.47 -2.24 0.09 0.00 0.00 178.44 175.50 1a03 h ASP 6 N 0.07 0.72 -0.15 -0.43 3.04 -0.61 0.28 116.42 119.34 1a03 h ASP 6 Ca 0.03 -0.35 0.04 0.00 -3.24 0.00 0.00 57.03 53.50 1a03 h ASP 6 Cb 0.00 -0.21 -0.04 0.00 -1.04 0.00 0.00 39.33 38.05 1a03 h ASP 6 CO -0.02 1.08 -0.10 1.56 -2.04 0.00 0.00 179.24 179.72 1a03 h GLN 7 N 0.53 -0.10 0.36 4.15 7.50 -0.92 0.17 115.11 126.80 1a03 h GLN 7 Ca 0.03 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.17 1a03 h GLN 7 Cb 1.02 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.57 1a03 h GLN 7 CO 0.10 -0.07 -0.20 0.00 -1.50 0.00 0.00 178.83 177.16 1a03 h ALA 8 N 1.01 -0.51 -0.10 3.87 0.00 -0.29 0.23 119.26 123.47 1a03 h ALA 8 Ca 0.09 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1a03 h ALA 8 Cb 0.24 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1a03 h ALA 8 CO -0.22 -0.79 -0.14 0.82 0.00 0.00 0.00 179.25 178.92 1a03 h ILE 9 N -0.52 0.63 -0.01 0.00 2.04 -0.92 0.78 117.51 119.51 1a03 h ILE 9 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.84 1a03 h ILE 9 Cb 0.41 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 1a03 h ILE 9 CO 0.06 0.00 -0.47 1.23 0.00 0.00 0.00 178.15 178.96 1a03 h GLY 10 N -0.19 -0.93 0.82 5.37 0.00 -0.33 0.66 103.07 108.47 1a03 h GLY 10 Ca 0.08 0.58 0.02 0.00 0.00 0.00 0.00 47.33 48.01 1a03 h GLY 10 CO -0.21 -0.24 -0.05 1.41 0.00 0.00 0.00 176.54 177.45 1a03 h LEU 11 N -0.62 -0.15 0.16 3.11 -0.00 -0.81 0.16 115.31 117.16 1a03 h LEU 11 Ca 0.03 0.03 0.02 0.00 -0.00 0.00 0.00 57.88 57.96 1a03 h LEU 11 Cb 0.69 0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 41.38 1a03 h LEU 11 CO -0.35 -0.07 -0.33 0.25 -0.00 0.00 0.00 178.44 177.94 1a03 h LEU 12 N -0.07 -0.95 -0.63 1.67 5.85 -0.39 0.47 115.31 121.26 1a03 h LEU 12 Ca 0.04 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1a03 h LEU 12 Cb 0.12 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1a03 h LEU 12 CO -0.08 -0.43 0.22 0.40 -0.34 0.00 0.00 178.44 178.21 1a03 h ILE 13 N -0.58 1.24 -0.55 4.05 5.03 -0.86 0.10 117.51 125.94 1a03 h ILE 13 Ca 0.02 -0.80 0.08 0.00 -0.12 0.00 0.00 64.86 64.04 1a03 h ILE 13 Cb 0.60 0.57 -0.10 0.00 -3.03 0.00 0.00 36.82 34.85 1a03 h ILE 13 CO -0.17 0.31 -0.48 1.23 -0.68 0.00 0.00 178.15 178.35 1a03 h GLY 14 N 0.90 -0.65 0.71 5.37 0.00 0.05 -0.99 103.07 108.47 1a03 h GLY 14 Ca 0.21 0.63 -0.11 0.00 0.00 0.00 0.00 47.33 48.05 1a03 h GLY 14 CO -0.01 -0.13 -0.41 1.19 0.00 0.00 0.00 176.54 177.18 1a03 h ILE 15 N -0.27 1.43 -0.42 2.60 6.09 -0.82 -3.35 117.51 122.77 1a03 h ILE 15 Ca 0.15 -1.85 0.09 0.00 -1.37 0.00 0.00 64.86 61.87 1a03 h ILE 15 Cb 0.56 2.42 -0.08 0.00 0.47 0.00 0.00 36.82 40.19 1a03 h ILE 15 CO -0.68 0.53 -0.12 0.15 -3.07 0.00 0.00 178.15 174.97 1a03 h PHE 16 N -0.14 -0.27 -0.26 2.19 3.57 -0.42 0.10 116.94 121.71 1a03 h PHE 16 Ca -0.04 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1a03 h PHE 16 Cb 1.08 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 1a03 h PHE 16 CO 0.14 -0.20 0.09 1.12 -2.23 0.00 0.00 178.31 177.23 1a03 h HIS 17 N -0.02 0.35 0.12 0.41 2.07 -1.34 0.14 115.15 116.88 1a03 h HIS 17 Ca 0.20 -0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.71 1a03 h HIS 17 Cb 0.33 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 30.20 1a03 h HIS 17 CO -0.38 0.29 -0.06 0.87 -3.07 0.00 0.00 177.93 175.57 1a03 h LYS 18 N 0.36 -0.16 -0.16 5.12 1.57 -1.21 0.25 116.57 122.34 1a03 h LYS 18 Ca 0.09 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1a03 h LYS 18 Cb 0.09 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1a03 h LYS 18 CO -0.01 0.32 -0.11 -0.92 -0.57 0.00 0.00 179.45 178.16 1a03 h TYR 19 N -0.76 -0.27 -0.10 -1.35 3.20 -0.72 -2.49 116.97 114.48 1a03 h TYR 19 Ca -0.02 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.70 1a03 h TYR 19 Cb 0.55 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1a03 h TYR 19 CO 0.09 -0.17 -0.66 0.66 -1.64 0.00 0.00 178.16 176.44 1a03 h SER 20 N -0.11 0.48 -0.74 -2.11 4.64 -0.82 -3.17 113.55 111.71 1a03 h SER 20 Ca 0.10 -0.29 0.22 0.00 -0.47 0.00 0.00 61.79 61.34 1a03 h SER 20 Cb 0.26 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1a03 h SER 20 CO -0.23 1.01 0.63 1.23 -0.87 0.00 0.00 176.83 178.60 1a03 h GLY 21 N 1.26 0.00 -0.12 -0.77 0.00 -0.03 0.13 103.07 103.53 1a03 h GLY 21 Ca -0.02 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.56 1a03 h GLY 21 CO 0.11 0.00 0.63 0.50 0.00 0.00 0.00 176.54 177.79 1a03 h LYS 22 N 0.00 0.49 0.28 4.80 1.57 -1.49 -1.08 116.57 121.14 1a03 h LYS 22 Ca 0.35 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1a03 h LYS 22 Cb 1.61 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.81 1a03 h LYS 22 CO -0.00 0.32 -0.14 1.49 -0.57 0.00 0.00 179.45 180.55 1a03 h GLU 23 N 0.50 -0.37 0.00 3.15 4.22 -0.96 -3.50 114.58 117.62 1a03 h GLU 23 Ca 0.62 0.02 0.00 0.00 0.08 0.00 0.00 59.36 60.08 1a03 h GLU 23 Cb 1.34 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1a03 h GLU 23 CO -0.38 -0.02 0.00 0.41 -2.18 0.00 0.00 179.01 176.84 1a03 n GLY 24 N -0.03 -2.22 0.34 1.92 0.00 -0.41 -4.98 105.19 99.81 1a03 n GLY 24 Ca -0.09 -1.23 0.18 0.00 0.00 0.00 0.00 46.02 44.88 1a03 n GLY 24 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1a03 h ASP 25 N 0.00 0.00 0.28 1.61 2.03 -1.91 -0.14 116.42 118.29 1a03 h ASP 25 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1a03 h ASP 25 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1a03 h ASP 25 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 179.24 179.38 1a03 n LYS 26 N -3.53 0.12 -3.73 4.15 4.81 -1.26 -4.91 118.16 113.80 1a03 n LYS 26 Ca 0.01 0.21 -0.31 0.00 -0.87 0.00 0.00 58.31 57.35 1a03 n LYS 26 Cb 0.34 -1.50 0.03 0.00 0.02 0.00 0.00 35.03 33.92 1a03 n LYS 26 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1a03 n HIS 27 N -1.35 -1.91 -4.20 5.64 1.44 -0.07 -4.81 115.22 109.97 1a03 n HIS 27 Ca 0.05 0.49 -0.17 0.00 -2.01 0.00 0.00 57.72 56.07 1a03 n HIS 27 Cb 0.11 -3.24 -0.11 0.00 0.12 0.00 0.00 29.99 26.87 1a03 n HIS 27 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 1a03 s THR 28 N -3.35 1.15 -0.32 0.61 -1.32 -1.26 -3.70 115.64 107.46 1a03 s THR 28 Ca 0.36 -1.52 -0.18 0.00 -1.21 0.00 0.00 61.69 59.14 1a03 s THR 28 Cb -0.15 -1.29 -0.01 0.00 -1.51 0.00 0.00 72.50 69.54 1a03 s THR 28 CO 0.88 -0.36 0.53 -0.76 -2.21 0.00 0.00 174.62 172.70 1a03 s LEU 29 N -2.13 4.23 0.54 9.08 1.02 0.49 -4.48 118.68 127.43 1a03 s LEU 29 Ca 0.03 0.18 0.06 0.00 0.02 0.00 0.00 54.13 54.43 1a03 s LEU 29 Cb -0.07 -2.64 0.06 0.00 0.02 0.00 0.00 46.19 43.56 1a03 s LEU 29 CO 0.02 -0.43 0.74 -0.94 0.02 0.00 0.00 176.35 175.77 1a03 s SER 30 N 1.69 5.21 0.45 2.29 1.04 -1.26 -1.28 113.70 121.86 1a03 s SER 30 Ca 0.20 -0.48 0.31 0.00 0.48 0.00 0.00 55.95 56.47 1a03 s SER 30 Cb -0.15 -0.29 1.43 0.00 0.10 0.00 0.00 66.02 67.11 1a03 s SER 30 CO 0.12 -1.18 1.65 0.11 0.98 0.00 0.00 173.24 174.92 1a03 h LYS 31 N 0.21 0.10 0.74 4.02 1.79 -1.98 -0.79 116.57 120.67 1a03 h LYS 31 Ca -0.36 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.06 1a03 h LYS 31 Cb 1.28 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.92 1a03 h LYS 31 CO 0.44 0.07 -0.37 0.87 -1.08 0.00 0.00 179.45 179.38 1a03 h LYS 32 N 0.10 -0.98 -0.64 3.15 1.79 -1.95 0.10 116.57 118.15 1a03 h LYS 32 Ca 0.79 0.07 0.05 0.00 -2.18 0.00 0.00 60.65 59.37 1a03 h LYS 32 Cb 2.56 0.22 -0.05 0.00 -1.58 0.00 0.00 32.23 33.38 1a03 h LYS 32 CO -0.33 -0.65 0.37 0.93 -1.08 0.00 0.00 179.45 178.68 1a03 h GLU 33 N -1.01 0.67 0.32 3.15 3.07 -1.68 0.91 114.58 120.01 1a03 h GLU 33 Ca -0.10 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 1a03 h GLU 33 Cb 0.78 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 1a03 h GLU 33 CO 0.16 0.45 -0.38 1.25 -1.40 0.00 0.00 179.01 179.09 1a03 h LEU 34 N 0.69 -1.05 0.13 1.33 6.46 -1.16 -0.60 115.31 121.12 1a03 h LEU 34 Ca 0.28 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 58.14 1a03 h LEU 34 Cb 0.13 0.36 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 1a03 h LEU 34 CO -0.15 -0.48 -0.21 0.50 -0.62 0.00 0.00 178.44 177.48 1a03 h LYS 35 N -0.71 -0.40 -0.47 1.25 3.64 -0.40 -0.92 116.57 118.57 1a03 h LYS 35 Ca -0.04 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 1a03 h LYS 35 Cb 0.63 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.44 1a03 h LYS 35 CO -0.08 -0.27 -0.30 0.93 -2.27 0.00 0.00 179.45 177.47 1a03 h GLU 36 N -0.41 -0.19 0.58 1.90 3.07 -0.82 0.18 114.58 118.89 1a03 h GLU 36 Ca 0.02 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1a03 h GLU 36 Cb 0.42 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1a03 h GLU 36 CO -0.10 -0.12 -0.38 1.25 -1.40 0.00 0.00 179.01 178.25 1a03 h LEU 37 N -0.19 -0.97 -1.24 1.33 5.85 -0.59 -0.50 115.31 119.00 1a03 h LEU 37 Ca 0.20 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 1a03 h LEU 37 Cb 0.52 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1a03 h LEU 37 CO -0.58 -0.57 0.01 0.16 -0.34 0.00 0.00 178.44 177.13 1a03 h ILE 38 N -0.90 1.19 0.20 4.05 3.07 -0.83 -0.05 117.51 124.23 1a03 h ILE 38 Ca -0.08 -0.76 -0.01 0.00 1.55 0.00 0.00 64.86 65.56 1a03 h ILE 38 Cb 0.73 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.20 1a03 h ILE 38 CO 0.06 0.26 -0.10 -0.61 -1.05 0.00 0.00 178.15 176.72 1a03 h GLN 39 N 0.51 -0.26 -0.49 0.16 4.15 -0.63 0.38 115.11 118.93 1a03 h GLN 39 Ca 0.11 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1a03 h GLN 39 Cb 0.31 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1a03 h GLN 39 CO 0.01 0.03 0.24 0.87 -1.93 0.00 0.00 178.83 178.06 1a03 h LYS 40 N -0.55 0.71 -0.50 1.69 1.57 -0.74 -1.78 116.57 116.97 1a03 h LYS 40 Ca -0.03 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1a03 h LYS 40 Cb 0.41 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1a03 h LYS 40 CO 0.04 0.58 0.24 0.93 -0.57 0.00 0.00 179.45 180.68 1a03 h GLU 41 N 0.65 0.70 -5.59 3.15 5.08 -1.02 -3.47 114.58 114.08 1a03 h GLU 41 Ca 0.17 -0.08 -0.36 0.00 -1.00 0.00 0.00 59.36 58.09 1a03 h GLU 41 Cb 0.11 -0.14 0.15 0.00 0.50 0.00 0.00 28.75 29.37 1a03 h GLU 41 CO -0.02 0.54 -0.69 -0.11 -1.00 0.00 0.00 179.01 177.73 1a03 n LEU 42 N -4.38 -3.62 -0.24 1.33 7.94 0.13 -4.89 117.00 113.27 1a03 n LEU 42 Ca 0.04 -0.55 0.17 0.00 -1.11 0.00 0.00 56.01 54.56 1a03 n LEU 42 Cb 0.13 -2.98 0.48 0.00 0.53 0.00 0.00 43.42 41.58 1a03 n LEU 42 CO 0.37 0.52 1.22 0.74 -1.11 0.00 0.00 177.39 179.13 1a03 h THR 43 N -2.27 0.72 -0.89 1.96 2.02 -1.67 0.79 112.91 113.56 1a03 h THR 43 Ca -0.56 -0.16 0.30 0.00 0.77 0.00 0.00 66.41 66.77 1a03 h THR 43 Cb 1.34 0.22 -0.16 0.00 -1.74 0.00 0.00 68.15 67.81 1a03 h THR 43 CO 0.51 0.08 0.21 -0.38 0.37 0.00 0.00 175.52 176.32 1a03 n ILE 44 N -4.52 -0.37 -0.35 3.11 -0.00 -1.26 -0.91 119.36 115.05 1a03 n ILE 44 Ca 0.18 1.90 0.26 0.00 -0.00 0.00 0.00 62.75 65.09 1a03 n ILE 44 Cb 0.64 -2.90 0.54 0.00 -0.00 0.00 0.00 39.64 37.92 1a03 n ILE 44 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 1a03 h GLY 45 N 0.00 1.24 1.95 7.39 0.00 -1.20 0.15 103.07 112.60 1a03 h GLY 45 Ca 0.63 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.68 1a03 h GLY 45 CO -0.77 -0.20 -0.44 1.48 0.00 0.00 0.00 176.54 176.61 1a03 h SER 46 N 0.32 0.05 0.00 0.19 4.64 -1.24 -3.46 113.55 114.06 1a03 h SER 46 Ca 0.64 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 1a03 h SER 46 Cb 1.73 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 1a03 h SER 46 CO -0.33 0.49 0.00 1.17 -0.87 0.00 0.00 176.83 177.29 1a03 n LYS 47 N -4.01 0.00 -1.68 4.77 3.00 0.51 -4.75 118.16 115.99 1a03 n LYS 47 Ca -0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.88 1a03 n LYS 47 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.51 1a03 n LYS 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1a03 n LEU 48 N 0.00 3.60 0.00 3.14 4.77 -1.26 -0.59 117.00 126.66 1a03 n LEU 48 Ca 0.00 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 1a03 n LEU 48 Cb 0.00 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.62 1a03 n LEU 48 CO 0.00 -0.72 0.00 0.00 -1.33 0.00 0.00 177.39 175.34 1a03 n GLN 49 N 0.27 0.00 -0.04 3.23 -0.00 -1.26 -4.53 117.38 115.05 1a03 n GLN 49 Ca 0.06 0.00 0.03 0.00 -0.00 0.00 0.00 57.00 57.09 1a03 n GLN 49 Cb 0.38 -0.36 0.37 0.00 -0.00 0.00 0.00 30.24 30.63 1a03 n GLN 49 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1a03 h ASP 50 N 0.00 0.54 -0.84 2.61 1.82 -1.78 0.29 116.42 119.05 1a03 h ASP 50 Ca 0.00 -0.03 0.20 0.00 -0.39 0.00 0.00 57.03 56.81 1a03 h ASP 50 Cb 0.00 -0.14 -0.12 0.00 0.68 0.00 0.00 39.33 39.75 1a03 h ASP 50 CO 0.00 0.43 0.30 0.00 -1.61 0.00 0.00 179.24 178.36 1a03 h ALA 51 N 1.67 1.25 -0.15 -0.78 0.00 -1.08 0.21 119.26 120.37 1a03 h ALA 51 Ca 0.16 0.17 -0.19 0.00 0.00 0.00 0.00 54.91 55.05 1a03 h ALA 51 Cb -0.01 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a03 h ALA 51 CO -0.03 -0.35 -0.69 0.93 0.00 0.00 0.00 179.25 179.11 1a03 h GLU 52 N 0.34 0.62 0.35 0.00 5.08 -0.86 -1.26 114.58 118.86 1a03 h GLU 52 Ca 0.51 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1a03 h GLU 52 Cb 0.94 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1a03 h GLU 52 CO -0.54 1.09 -0.33 0.82 -1.00 0.00 0.00 179.01 179.05 1a03 h ILE 53 N 0.44 0.32 -0.78 3.13 2.04 0.15 0.76 117.51 123.58 1a03 h ILE 53 Ca -0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1a03 h ILE 53 Cb 1.28 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1a03 h ILE 53 CO 0.13 0.00 0.32 1.62 0.00 0.00 0.00 178.15 180.22 1a03 h VAL 54 N -0.69 1.26 0.01 1.67 3.04 -0.74 0.48 116.25 121.27 1a03 h VAL 54 Ca -0.02 -0.80 0.02 0.00 -1.01 0.00 0.00 66.70 64.89 1a03 h VAL 54 Cb 0.62 0.31 -0.03 0.00 -2.01 0.00 0.00 31.29 30.19 1a03 h VAL 54 CO -0.05 0.33 -0.13 0.50 -1.01 0.00 0.00 177.57 177.21 1a03 h LYS 55 N 1.14 -0.21 -0.16 4.17 3.64 -1.02 0.13 116.57 124.25 1a03 h LYS 55 Ca 0.26 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1a03 h LYS 55 Cb 0.20 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1a03 h LYS 55 CO -0.02 -0.14 0.11 -0.07 -2.27 0.00 0.00 179.45 177.05 1a03 h LEU 56 N -0.22 0.18 -0.02 5.20 3.38 -0.35 0.75 115.31 124.23 1a03 h LEU 56 Ca 0.04 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1a03 h LEU 56 Cb 0.27 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1a03 h LEU 56 CO -0.12 0.13 -0.22 0.24 0.09 0.00 0.00 178.44 178.57 1a03 h MET 57 N 0.22 -0.32 -0.16 1.13 2.86 -0.77 0.92 114.93 118.80 1a03 h MET 57 Ca 0.06 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.77 1a03 h MET 57 Cb -0.02 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 1a03 h MET 57 CO -0.02 -0.22 -0.22 0.22 1.06 0.00 0.00 176.91 177.74 1a03 h ASP 58 N -0.33 -0.68 -0.07 1.22 3.58 -0.45 0.16 116.42 119.85 1a03 h ASP 58 Ca 0.07 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1a03 h ASP 58 Cb 0.42 0.31 -0.00 0.00 1.72 0.00 0.00 39.33 41.78 1a03 h ASP 58 CO -0.21 -0.26 0.02 -0.78 -2.88 0.00 0.00 179.24 175.13 1a03 h ASP 59 N -0.26 0.09 -0.55 2.28 3.58 -0.58 0.86 116.42 121.84 1a03 h ASP 59 Ca 0.11 -0.18 0.05 0.00 0.42 0.00 0.00 57.03 57.43 1a03 h ASP 59 Cb 0.42 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.40 1a03 h ASP 59 CO -0.31 0.24 0.29 0.25 -2.88 0.00 0.00 179.24 176.83 1a03 h LEU 60 N -0.07 0.41 0.23 2.28 5.85 -0.66 0.66 115.31 124.03 1a03 h LEU 60 Ca 0.02 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1a03 h LEU 60 Cb 0.18 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1a03 h LEU 60 CO -0.00 0.28 -0.12 0.44 -0.34 0.00 0.00 178.44 178.70 1a03 h ASP 61 N 0.55 -0.28 -0.81 1.25 5.19 -0.46 0.12 116.42 121.98 1a03 h ASP 61 Ca 0.24 0.01 0.17 0.00 -0.62 0.00 0.00 57.03 56.83 1a03 h ASP 61 Cb 0.15 0.07 -0.10 0.00 0.18 0.00 0.00 39.33 39.63 1a03 h ASP 61 CO -0.17 -0.20 0.34 -0.09 -3.12 0.00 0.00 179.24 176.01 1a03 h ARG 62 N -0.32 0.44 -0.29 3.56 2.43 -0.42 0.18 114.38 119.96 1a03 h ARG 62 Ca -0.03 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1a03 h ARG 62 Cb 0.25 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1a03 h ARG 62 CO 0.05 0.29 -0.00 -0.97 -1.51 0.00 0.00 179.97 177.83 1a03 h ASN 63 N 0.46 0.51 -0.63 -3.80 -0.00 -0.18 -3.31 115.58 108.63 1a03 h ASN 63 Ca 0.46 -0.31 -0.31 0.00 -0.00 0.00 0.00 56.30 56.14 1a03 h ASN 63 Cb 0.76 -0.14 -0.18 0.00 -0.00 0.00 0.00 38.32 38.75 1a03 h ASN 63 CO -0.44 0.70 0.23 0.29 -0.00 0.00 0.00 177.43 178.21 1a03 n LYS 64 N -4.57 2.14 -4.22 6.67 4.76 0.37 -4.94 118.16 118.37 1a03 n LYS 64 Ca -0.03 -3.10 -0.33 0.00 -2.87 0.00 0.00 58.31 51.98 1a03 n LYS 64 Cb 0.26 -1.98 -0.05 0.00 -1.84 0.00 0.00 35.03 31.42 1a03 n LYS 64 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1a03 n ASP 65 N -1.06 -1.31 -0.44 4.39 2.03 -0.22 -0.61 116.55 119.33 1a03 n ASP 65 Ca 0.44 -1.11 -0.04 0.00 0.52 0.00 0.00 54.79 54.60 1a03 n ASP 65 Cb 1.31 -2.39 -0.02 0.00 -0.72 0.00 0.00 41.12 39.29 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 -4.38 -1.75 -3.12 -0.67 -0.00 0.47 -4.91 117.38 103.01 1a03 n GLN 66 Ca -0.11 0.39 -0.45 0.00 -0.00 0.00 0.00 57.00 56.82 1a03 n GLN 66 Cb 0.58 -4.16 -0.02 0.00 -0.00 0.00 0.00 30.24 26.65 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 -1.68 3.59 -0.62 2.61 2.02 0.22 -4.10 118.70 120.75 1a03 s GLU 67 Ca 0.00 -2.09 -0.20 0.00 0.02 0.00 0.00 54.97 52.70 1a03 s GLU 67 Cb 0.00 -4.67 0.09 0.00 0.10 0.00 0.00 34.13 29.65 1a03 s GLU 67 CO 0.00 -1.54 0.81 0.08 0.02 0.00 0.00 175.26 174.63 1a03 s VAL 68 N 1.48 4.62 0.60 2.63 1.01 -0.40 -4.88 120.40 125.47 1a03 s VAL 68 Ca 0.25 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1a03 s VAL 68 Cb -0.08 -4.57 0.04 0.00 0.00 0.00 0.00 36.38 31.78 1a03 s VAL 68 CO -0.09 -1.26 0.85 0.20 0.00 0.00 0.00 175.10 174.80 1a03 s ASN 69 N 3.65 5.11 0.23 3.32 0.01 -1.26 -0.38 114.94 125.62 1a03 s ASN 69 Ca 0.16 0.13 -0.14 0.00 -0.71 0.00 0.00 52.86 52.29 1a03 s ASN 69 Cb -0.21 -0.93 0.28 0.00 0.41 0.00 0.00 41.25 40.80 1a03 s ASN 69 CO 0.08 -1.30 1.59 0.15 -1.51 0.00 0.00 177.10 176.11 1a03 h PHE 70 N -0.15 -0.58 -0.49 2.20 3.57 -1.87 0.42 116.94 120.02 1a03 h PHE 70 Ca -0.43 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.13 1a03 h PHE 70 Cb 1.30 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 40.39 1a03 h PHE 70 CO 0.35 -0.35 0.23 0.37 -2.23 0.00 0.00 178.31 176.68 1a03 h GLN 71 N -0.04 0.69 -0.27 1.11 5.75 -1.94 0.10 115.11 120.52 1a03 h GLN 71 Ca 0.34 -0.08 -0.18 0.00 -0.15 0.00 0.00 58.65 58.58 1a03 h GLN 71 Cb 0.57 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.98 1a03 h GLN 71 CO -0.79 0.54 -0.54 0.93 -2.65 0.00 0.00 178.83 176.32 1a03 h GLU 72 N 0.69 0.80 -0.18 1.69 3.07 -0.66 -0.53 114.58 119.46 1a03 h GLU 72 Ca 0.17 -0.50 0.04 0.00 -0.50 0.00 0.00 59.36 58.57 1a03 h GLU 72 Cb 0.08 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.01 1a03 h GLU 72 CO -0.02 1.13 -0.06 -0.92 -1.40 0.00 0.00 179.01 177.74 1a03 h TYR 73 N 0.61 -0.13 -0.25 4.33 3.20 0.10 0.26 116.97 125.09 1a03 h TYR 73 Ca 0.02 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1a03 h TYR 73 Cb 1.13 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.44 1a03 h TYR 73 CO 0.06 -0.10 -0.08 0.82 -1.64 0.00 0.00 178.16 177.23 1a03 h ILE 74 N -0.02 0.72 -0.85 1.81 1.08 -0.69 0.30 117.51 119.85 1a03 h ILE 74 Ca 0.09 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.66 1a03 h ILE 74 Cb 0.16 0.72 -0.07 0.00 -3.07 0.00 0.00 36.82 34.55 1a03 h ILE 74 CO -0.20 0.00 0.50 0.74 -0.69 0.00 0.00 178.15 178.50 1a03 h THR 75 N -0.02 0.92 -0.68 -0.27 2.02 -0.68 -0.45 112.91 113.74 1a03 h THR 75 Ca 0.12 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 1a03 h THR 75 Cb 0.21 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1a03 h THR 75 CO -0.27 0.15 0.30 0.15 0.37 0.00 0.00 175.52 176.22 1a03 h PHE 76 N 0.83 0.99 -0.20 3.16 3.57 0.93 0.12 116.94 126.34 1a03 h PHE 76 Ca 0.41 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.90 1a03 h PHE 76 Cb 0.36 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1a03 h PHE 76 CO -0.05 0.74 -0.04 1.25 -2.23 0.00 0.00 178.31 177.98 1a03 h LEU 77 N 0.98 -0.17 -0.15 0.59 6.46 0.11 0.19 115.31 123.31 1a03 h LEU 77 Ca 0.23 0.06 0.05 0.00 -0.12 0.00 0.00 57.88 58.10 1a03 h LEU 77 Cb 0.14 0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.12 1a03 h LEU 77 CO -0.03 -0.06 -0.38 1.23 -0.62 0.00 0.00 178.44 178.59 1a03 h GLY 78 N 0.01 -0.58 0.85 3.75 0.00 -0.35 -0.01 103.07 106.74 1a03 h GLY 78 Ca 0.10 0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.91 1a03 h GLY 78 CO -0.20 -0.22 0.04 0.00 0.00 0.00 0.00 176.54 176.16 1a03 h ALA 79 N 0.27 0.17 0.14 3.60 0.00 -0.26 0.17 119.26 123.36 1a03 h ALA 79 Ca 0.09 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1a03 h ALA 79 Cb 0.59 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1a03 h ALA 79 CO -0.39 -0.39 -0.41 1.25 0.00 0.00 0.00 179.25 179.30 1a03 h LEU 80 N 0.12 -1.21 -0.90 0.00 5.85 -0.49 -1.96 115.31 116.72 1a03 h LEU 80 Ca 0.07 0.13 0.13 0.00 0.84 0.00 0.00 57.88 59.06 1a03 h LEU 80 Cb 0.05 0.45 -0.09 0.00 0.37 0.00 0.00 40.66 41.45 1a03 h LEU 80 CO -0.08 -0.49 0.51 0.00 -0.34 0.00 0.00 178.44 178.04 1a03 h ALA 81 N -0.19 1.35 -0.61 1.25 0.00 -0.68 -0.62 119.26 119.77 1a03 h ALA 81 Ca 0.02 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1a03 h ALA 81 Cb 0.68 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1a03 h ALA 81 CO -0.23 0.04 0.41 1.98 0.00 0.00 0.00 179.25 181.45 1a03 h MET 82 N 0.77 0.32 0.00 0.00 1.85 0.08 0.23 114.93 118.18 1a03 h MET 82 Ca 0.47 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.53 1a03 h MET 82 Cb 0.57 -0.07 -0.00 0.00 0.43 0.00 0.00 31.60 32.53 1a03 h MET 82 CO -0.31 0.21 -0.02 0.82 -0.40 0.00 0.00 176.91 177.21 1a03 h ILE 83 N 0.33 1.00 -0.01 1.77 1.08 -0.70 0.04 117.51 121.03 1a03 h ILE 83 Ca 0.29 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.68 1a03 h ILE 83 Cb 0.68 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 1a03 h ILE 83 CO -0.07 0.02 -0.12 -1.22 -0.69 0.00 0.00 178.15 176.07 1a03 n TYR 84 N -4.50 0.00 0.00 1.37 4.02 0.73 -4.89 117.16 113.89 1a03 n TYR 84 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1a03 n TYR 84 Cb 0.11 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 1a03 n TYR 84 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1a03 n ASN 85 N -0.03 0.00 -0.33 7.72 0.23 -0.00 -0.69 115.26 122.17 1a03 n ASN 85 Ca 0.15 0.00 0.26 0.00 -0.53 0.00 0.00 54.58 54.47 1a03 n ASN 85 Cb 0.38 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.58 1a03 n ASN 85 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1a03 n GLU 86 N 0.00 -0.07 -0.45 -3.83 0.00 -1.26 -0.21 120.64 114.82 1a03 n GLU 86 Ca 0.00 1.42 0.37 0.00 0.00 0.00 0.00 57.16 58.95 1a03 n GLU 86 Cb 0.00 -2.45 0.67 0.00 0.00 0.00 0.00 31.44 29.66 1a03 n GLU 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a03 h ALA 87 N 2.00 2.88 0.00 4.31 0.00 -1.18 0.19 119.26 127.46 1a03 h ALA 87 Ca 0.77 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.74 1a03 h ALA 87 Cb 1.93 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1a03 h ALA 87 CO -0.82 -1.42 -0.00 1.47 0.00 0.00 0.00 179.25 178.47 1a03 n LEU 88 N -4.49 0.00 -0.10 0.00 -0.00 0.14 -4.74 117.00 107.81 1a03 n LEU 88 Ca 0.35 -0.22 0.12 0.00 -0.00 0.00 0.00 56.01 56.26 1a03 n LEU 88 Cb 1.40 0.00 0.29 0.00 -0.00 0.00 0.00 43.42 45.11 1a03 n LEU 88 CO 0.28 0.00 0.52 0.29 -0.00 0.00 0.00 177.39 178.48 1a03 n LYS 89 N -0.44 0.33 0.00 1.47 5.02 0.70 -5.13 118.16 120.12 1a03 n LYS 89 Ca 0.00 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1a03 n LYS 89 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1a03 n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29