#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l8c s ASP 2 N 0.00 -0.23 0.43 0.00 -1.08 -1.26 -5.07 116.67 109.46 1l8c s ASP 2 Ca 0.00 0.43 0.12 0.00 -0.52 0.00 0.00 52.55 52.59 1l8c s ASP 2 Cb 0.00 0.46 1.00 0.00 -1.46 0.00 0.00 42.92 42.92 1l8c s ASP 2 CO 0.00 -0.11 2.00 1.55 0.52 0.00 0.00 175.17 179.14 1l8c h PRO 3 N 5.64 0.42 -0.15 4.34 0.13 -2.05 -0.93 132.00 139.40 1l8c h PRO 3 Ca -0.26 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1l8c h PRO 3 Cb 1.19 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1l8c h PRO 3 CO 0.36 0.28 0.03 0.93 -0.23 0.00 0.00 178.00 179.37 1l8c h GLU 4 N 0.43 0.24 -0.91 0.86 5.08 -1.99 -0.65 114.58 117.64 1l8c h GLU 4 Ca 0.24 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1l8c h GLU 4 Cb 0.39 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1l8c h GLU 4 CO -0.06 0.41 0.52 0.87 -1.00 0.00 0.00 179.01 179.75 1l8c h LYS 5 N 0.03 1.25 -0.12 2.33 1.57 -1.85 -1.50 116.57 118.28 1l8c h LYS 5 Ca 0.05 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1l8c h LYS 5 Cb 0.28 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1l8c h LYS 5 CO 0.00 0.90 0.06 0.00 -0.57 0.00 0.00 179.45 179.84 1l8c h ARG 6 N 1.26 0.16 -0.74 3.15 3.08 -1.02 -0.56 114.38 119.72 1l8c h ARG 6 Ca 0.32 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 1l8c h ARG 6 Cb -0.01 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1l8c h ARG 6 CO -0.06 0.19 0.42 1.57 -1.07 0.00 0.00 179.97 181.02 1l8c h LYS 7 N 0.09 1.01 -0.13 0.04 2.10 -0.91 0.05 116.57 118.82 1l8c h LYS 7 Ca 0.04 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1l8c h LYS 7 Cb 0.08 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.19 1l8c h LYS 7 CO -0.01 0.73 0.08 -0.07 -2.00 0.00 0.00 179.45 178.19 1l8c h LEU 8 N 1.02 0.13 -0.18 7.07 3.38 -1.08 -1.66 115.31 123.99 1l8c h LEU 8 Ca 0.26 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.25 1l8c h LEU 8 Cb 0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1l8c h LEU 8 CO -0.04 0.10 0.03 0.40 0.09 0.00 0.00 178.44 179.02 1l8c h ILE 9 N 0.16 0.92 -0.19 1.22 2.04 -0.58 -0.27 117.51 120.81 1l8c h ILE 9 Ca 0.05 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1l8c h ILE 9 Cb -0.01 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 1l8c h ILE 9 CO -0.02 0.02 -0.28 1.56 0.00 0.00 0.00 178.15 179.43 1l8c h GLN 10 N 0.11 -0.31 0.28 2.37 4.20 -0.85 -0.43 115.11 120.47 1l8c h GLN 10 Ca 0.08 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.82 1l8c h GLN 10 Cb 0.07 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1l8c h GLN 10 CO -0.11 -0.21 -0.41 0.37 -0.67 0.00 0.00 178.83 177.81 1l8c h GLN 11 N -0.32 -0.72 -0.62 1.46 4.15 -1.09 -2.56 115.11 115.41 1l8c h GLN 11 Ca 0.12 0.05 0.13 0.00 0.77 0.00 0.00 58.65 59.71 1l8c h GLN 11 Cb 0.50 0.16 -0.10 0.00 0.21 0.00 0.00 27.48 28.26 1l8c h GLN 11 CO -0.37 -0.48 0.08 1.96 -1.93 0.00 0.00 178.83 178.09 1l8c h GLN 12 N -0.75 0.19 0.23 1.69 1.08 -0.80 -0.17 115.11 116.58 1l8c h GLN 12 Ca -0.01 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1l8c h GLN 12 Cb 0.71 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.07 1l8c h GLN 12 CO -0.14 0.13 -0.32 1.25 -0.95 0.00 0.00 178.83 178.80 1l8c h LEU 13 N 0.20 -0.89 -0.14 1.46 6.46 -0.91 -0.99 115.31 120.50 1l8c h LEU 13 Ca 0.33 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 58.18 1l8c h LEU 13 Cb 0.52 0.32 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 1l8c h LEU 13 CO -0.47 -0.43 0.09 0.58 -0.62 0.00 0.00 178.44 177.60 1l8c h VAL 14 N -0.61 1.04 -0.32 1.05 2.07 -1.11 -2.36 116.25 116.00 1l8c h VAL 14 Ca 0.00 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1l8c h VAL 14 Cb 0.59 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1l8c h VAL 14 CO -0.12 0.04 0.05 -0.07 0.02 0.00 0.00 177.57 177.50 1l8c h LEU 15 N 0.19 -0.01 -0.35 2.57 3.38 -0.90 -1.22 115.31 118.98 1l8c h LEU 15 Ca 0.05 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1l8c h LEU 15 Cb -0.02 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1l8c h LEU 15 CO -0.01 0.03 0.16 0.25 0.09 0.00 0.00 178.44 178.96 1l8c h LEU 16 N 0.17 0.22 -0.04 1.67 5.85 -1.08 -0.24 115.31 121.86 1l8c h LEU 16 Ca 0.15 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1l8c h LEU 16 Cb 0.17 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1l8c h LEU 16 CO -0.21 0.16 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.95 1l8c h LEU 17 N 0.33 -0.12 -0.05 2.25 3.38 -1.21 -2.91 115.31 116.98 1l8c h LEU 17 Ca 0.15 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1l8c h LEU 17 Cb 0.08 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1l8c h LEU 17 CO -0.12 -0.06 -0.20 -0.74 0.09 0.00 0.00 178.44 177.41 1l8c h HIS 18 N -0.06 -0.53 -0.73 1.13 2.76 -0.98 -2.93 115.15 113.81 1l8c h HIS 18 Ca 0.03 0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.37 1l8c h HIS 18 Cb 0.10 0.24 -0.14 0.00 1.55 0.00 0.00 27.41 29.16 1l8c h HIS 18 CO -0.13 -0.28 -0.14 0.00 -1.30 0.00 0.00 177.93 176.07 1l8c h ALA 19 N 0.63 0.54 -0.15 5.26 0.00 -0.86 0.12 119.26 124.81 1l8c h ALA 19 Ca 0.07 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1l8c h ALA 19 Cb 0.40 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1l8c h ALA 19 CO -0.22 -0.42 0.05 1.25 0.00 0.00 0.00 179.25 179.91 1l8c h HIS 20 N 0.02 0.24 -0.52 0.00 6.17 -1.43 -1.18 115.15 118.45 1l8c h HIS 20 Ca 0.36 -0.02 0.05 0.00 0.71 0.00 0.00 60.37 61.47 1l8c h HIS 20 Cb 0.58 -0.07 -0.05 0.00 2.52 0.00 0.00 27.41 30.39 1l8c h HIS 20 CO -0.55 0.34 0.24 0.87 0.71 0.00 0.00 177.93 179.54 1l8c h LYS 21 N 0.08 0.45 0.06 5.26 6.56 -1.09 0.68 116.57 128.57 1l8c h LYS 21 Ca 0.05 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.63 1l8c h LYS 21 Cb 0.21 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 31.74 1l8c h LYS 21 CO -0.00 0.30 -0.20 0.00 -2.06 0.00 0.00 179.45 177.49 1l8c h GLN 23 N -0.35 -0.43 -0.14 0.00 4.15 -0.91 -0.96 115.11 116.47 1l8c h GLN 23 Ca 0.04 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.54 1l8c h GLN 23 Cb 0.40 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.12 1l8c h GLN 23 CO -0.14 -0.28 -0.33 -0.09 -1.93 0.00 0.00 178.83 176.05 1l8c h ARG 24 N -0.44 -0.39 0.20 1.69 2.43 -0.72 -0.96 114.38 116.19 1l8c h ARG 24 Ca 0.01 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1l8c h ARG 24 Cb 0.43 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 1l8c h ARG 24 CO -0.08 -0.26 -0.38 -0.09 -1.51 0.00 0.00 179.97 177.65 1l8c h ARG 25 N -0.40 -0.64 -0.20 0.20 2.43 -0.82 -1.03 114.38 113.93 1l8c h ARG 25 Ca 0.10 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1l8c h ARG 25 Cb 0.55 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.19 1l8c h ARG 25 CO -0.36 -0.43 -0.23 1.49 -1.51 0.00 0.00 179.97 178.93 1l8c h GLU 26 N -0.66 -0.25 -0.24 0.20 4.57 -1.00 0.39 114.58 117.58 1l8c h GLU 26 Ca 0.01 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1l8c h GLU 26 Cb 0.66 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 1l8c h GLU 26 CO -0.17 -0.16 0.14 1.96 -1.18 0.00 0.00 179.01 179.59 1l8c h GLN 27 N -0.26 0.28 0.03 1.92 1.08 -1.07 -3.35 115.11 113.75 1l8c h GLN 27 Ca 0.12 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1l8c h GLN 27 Cb 0.44 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1l8c h GLN 27 CO -0.34 0.19 -0.01 0.00 -0.95 0.00 0.00 178.83 177.71 1l8c h ALA 28 N 1.11 -0.62 -0.49 3.87 0.00 -0.98 -3.48 119.26 118.67 1l8c h ALA 28 Ca 0.09 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.19 1l8c h ALA 28 Cb -0.00 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 17.59 1l8c h ALA 28 CO -0.04 -0.62 0.00 1.21 0.00 0.00 0.00 179.25 179.80 1l8c s ASN 29 N -2.48 -0.70 -0.58 0.00 2.47 0.10 -5.09 114.94 108.66 1l8c s ASN 29 Ca -0.01 0.35 0.06 0.00 0.42 0.00 0.00 52.86 53.69 1l8c s ASN 29 Cb 0.00 1.56 0.26 0.00 -1.45 0.00 0.00 41.25 41.61 1l8c s ASN 29 CO 0.02 -0.13 0.71 0.61 -3.72 0.00 0.00 177.10 174.58 1l8c n GLY 30 N 5.41 4.41 0.36 1.21 0.00 -1.06 -4.66 105.19 110.86 1l8c n GLY 30 Ca -0.03 -2.49 -0.14 0.00 0.00 0.00 0.00 46.02 43.36 1l8c n GLY 30 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1l8c h GLU 31 N 4.06 -0.86 -6.11 1.61 5.08 -1.95 -3.40 114.58 113.02 1l8c h GLU 31 Ca 0.17 0.06 -0.60 0.00 -1.00 0.00 0.00 59.36 57.98 1l8c h GLU 31 Cb 0.71 0.19 -0.10 0.00 0.50 0.00 0.00 28.75 30.05 1l8c h GLU 31 CO 0.75 -0.57 0.57 0.08 -1.00 0.00 0.00 179.01 178.83 1l8c s VAL 32 N -4.53 4.51 -0.57 3.13 1.01 -1.26 -5.00 120.40 117.70 1l8c s VAL 32 Ca -0.13 0.81 -0.27 0.00 0.00 0.00 0.00 61.98 62.39 1l8c s VAL 32 Cb 0.01 -4.40 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1l8c s VAL 32 CO 0.39 -0.77 1.73 -0.13 0.00 0.00 0.00 175.10 176.33 1l8c s ARG 33 N 3.66 2.89 0.32 2.72 0.52 -1.26 -4.87 118.95 122.93 1l8c s ARG 33 Ca 0.37 0.66 0.12 0.00 -0.52 0.00 0.00 55.73 56.35 1l8c s ARG 33 Cb -0.11 -4.30 0.53 0.00 0.52 0.00 0.00 34.95 31.59 1l8c s ARG 33 CO 0.25 -2.42 1.71 0.00 0.02 0.00 0.00 175.30 174.85 1l8c h ALA 34 N 13.63 1.13 -1.93 2.13 0.00 -1.94 -3.45 119.26 128.84 1l8c h ALA 34 Ca -0.27 -0.46 -0.64 0.00 0.00 0.00 0.00 54.91 53.54 1l8c h ALA 34 Cb 1.14 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.87 1l8c h ALA 34 CO 1.19 0.63 1.07 0.00 0.00 0.00 0.00 179.25 182.13 1l8c n SER 36 N 6.46 1.10 -3.73 0.00 7.64 -1.26 -5.04 113.62 118.79 1l8c n SER 36 Ca 0.24 -2.43 -0.29 0.00 1.01 0.00 0.00 58.87 57.40 1l8c n SER 36 Cb 0.26 -0.34 -0.16 0.00 -1.01 0.00 0.00 64.21 62.96 1l8c n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1l8c s LEU 37 N -0.75 1.62 0.27 -3.43 1.43 -1.26 -5.05 118.68 111.52 1l8c s LEU 37 Ca 0.32 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 1l8c s LEU 37 Cb 0.35 -0.71 0.60 0.00 0.03 0.00 0.00 46.19 46.46 1l8c s LEU 37 CO -0.13 -0.36 1.72 -0.65 0.23 0.00 0.00 176.35 177.16 1l8c h PRO 38 N 8.18 0.43 0.00 1.29 0.11 -2.05 -1.82 132.00 138.14 1l8c h PRO 38 Ca -0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1l8c h PRO 38 Cb 1.06 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1l8c h PRO 38 CO 0.40 0.28 0.00 0.72 -0.21 0.00 0.00 178.00 179.20 1l8c n HIS 39 N -5.01 0.00 -0.10 0.65 8.25 -1.26 -3.77 115.22 113.97 1l8c n HIS 39 Ca 0.19 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.59 1l8c n HIS 39 Cb 0.54 -0.48 0.01 0.00 1.12 0.00 0.00 29.99 31.17 1l8c n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1l8c h ARG 41 N -0.02 0.47 -0.05 0.00 2.43 -1.80 0.10 114.38 115.52 1l8c h ARG 41 Ca 0.18 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1l8c h ARG 41 Cb 0.29 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1l8c h ARG 41 CO -0.39 0.31 0.03 1.15 -1.51 0.00 0.00 179.97 179.56 1l8c h THR 42 N 0.48 1.04 -0.87 0.20 2.02 -1.63 -1.73 112.91 112.42 1l8c h THR 42 Ca 0.39 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.47 1l8c h THR 42 Cb 0.53 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 1l8c h THR 42 CO -0.36 0.04 0.58 0.24 0.37 0.00 0.00 175.52 176.39 1l8c h MET 43 N 0.03 1.11 -0.68 6.66 2.86 -0.41 -1.55 114.93 122.95 1l8c h MET 43 Ca 0.02 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1l8c h MET 43 Cb 0.03 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.41 1l8c h MET 43 CO -0.00 0.74 0.42 0.87 1.06 0.00 0.00 176.91 179.99 1l8c h LYS 44 N 1.14 0.92 -0.12 1.72 1.57 -0.51 0.12 116.57 121.41 1l8c h LYS 44 Ca 0.33 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1l8c h LYS 44 Cb -0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1l8c h LYS 44 CO -0.08 0.64 0.08 -0.91 -0.57 0.00 0.00 179.45 178.61 1l8c h ASN 45 N 0.93 0.14 0.13 0.86 2.35 -0.86 -0.49 115.58 118.63 1l8c h ASN 45 Ca 0.25 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 56.00 1l8c h ASN 45 Cb -0.05 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 1l8c h ASN 45 CO -0.05 0.11 -0.33 0.58 -1.65 0.00 0.00 177.43 176.09 1l8c h VAL 46 N 0.15 0.31 -0.25 2.81 2.07 -1.01 -1.92 116.25 118.41 1l8c h VAL 46 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.62 1l8c h VAL 46 Cb -0.01 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 29.99 1l8c h VAL 46 CO -0.01 0.00 -0.37 0.25 0.02 0.00 0.00 177.57 177.46 1l8c h LEU 47 N -0.56 -1.19 -0.60 2.57 7.12 -0.64 0.93 115.31 122.94 1l8c h LEU 47 Ca 0.03 0.18 0.08 0.00 0.13 0.00 0.00 57.88 58.30 1l8c h LEU 47 Cb 0.59 0.51 -0.06 0.00 -0.53 0.00 0.00 40.66 41.17 1l8c h LEU 47 CO -0.18 -0.37 0.25 -1.13 -0.13 0.00 0.00 178.44 176.88 1l8c h ASN 48 N -0.38 0.30 -0.09 1.25 -1.24 -0.99 -2.56 115.58 111.87 1l8c h ASN 48 Ca 0.12 0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.17 1l8c h ASN 48 Cb 0.58 0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.64 1l8c h ASN 48 CO -0.45 0.19 -0.00 -0.74 -1.29 0.00 0.00 177.43 175.13 1l8c h HIS 49 N 0.46 0.18 -0.86 0.67 2.76 -0.92 -3.32 115.15 114.13 1l8c h HIS 49 Ca 0.29 -0.03 0.20 0.00 -2.20 0.00 0.00 60.37 58.63 1l8c h HIS 49 Cb 0.31 -0.05 -0.16 0.00 1.55 0.00 0.00 27.41 29.06 1l8c h HIS 49 CO -0.14 0.42 -0.04 1.98 -1.30 0.00 0.00 177.93 178.85 1l8c h MET 50 N -0.11 0.05 -0.20 5.26 4.05 -0.42 0.25 114.93 123.81 1l8c h MET 50 Ca 0.03 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1l8c h MET 50 Cb 0.35 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1l8c h MET 50 CO 0.00 0.03 0.08 1.79 0.23 0.00 0.00 176.91 179.05 1l8c h THR 51 N 0.05 1.16 -0.18 -0.77 1.35 -1.61 -3.27 112.91 109.64 1l8c h THR 51 Ca 0.47 -0.48 -0.08 0.00 -0.55 0.00 0.00 66.41 65.77 1l8c h THR 51 Cb 0.85 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1l8c h THR 51 CO -0.80 0.16 -0.18 0.45 -0.25 0.00 0.00 175.52 174.89 1l8c h HIS 52 N 0.17 0.52 -3.96 4.73 3.86 -1.52 -3.45 115.15 115.50 1l8c h HIS 52 Ca 0.07 -0.16 -0.54 0.00 -1.16 0.00 0.00 60.37 58.58 1l8c h HIS 52 Cb 0.17 -0.11 0.11 0.00 1.06 0.00 0.00 27.41 28.64 1l8c h HIS 52 CO -0.01 0.81 0.71 0.00 0.86 0.00 0.00 177.93 180.30 1l8c n GLN 54 N 0.11 1.47 0.11 0.00 6.02 -1.26 -4.85 117.38 118.98 1l8c n GLN 54 Ca 0.03 -0.21 -0.11 0.00 -0.01 0.00 0.00 57.00 56.71 1l8c n GLN 54 Cb 0.41 -0.65 -0.07 0.00 1.02 0.00 0.00 30.24 30.96 1l8c n GLN 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1l8c h ALA 55 N 0.00 -0.34 -0.69 -1.58 0.00 -1.96 -3.47 119.26 111.21 1l8c h ALA 55 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1l8c h ALA 55 Cb 0.09 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1l8c h ALA 55 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.26 1l8c n GLY 56 N 0.39 0.84 0.14 0.00 0.00 -1.26 -3.44 105.19 101.86 1l8c n GLY 56 Ca -0.08 0.50 -0.07 0.00 0.00 0.00 0.00 46.02 46.37 1l8c n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1l8c h LYS 57 N 0.00 0.16 0.00 1.61 1.79 -1.91 -3.06 116.57 115.16 1l8c h LYS 57 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1l8c h LYS 57 Cb 0.00 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1l8c h LYS 57 CO 0.00 0.11 -0.10 0.00 -1.08 0.00 0.00 179.45 178.38 1l8c n ALA 58 N -2.37 2.44 -1.92 3.86 0.00 -1.22 -4.91 120.51 116.39 1l8c n ALA 58 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 1l8c n ALA 58 Cb 0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1l8c n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8c h GLN 60 N 5.41 0.68 -6.43 0.00 4.20 -1.90 -3.44 115.11 113.62 1l8c h GLN 60 Ca -0.45 -0.19 -0.53 0.00 0.06 0.00 0.00 58.65 57.54 1l8c h GLN 60 Cb 1.21 -0.08 0.02 0.00 0.30 0.00 0.00 27.48 28.94 1l8c h GLN 60 CO 0.80 0.73 1.04 0.08 -0.67 0.00 0.00 178.83 180.81 1l8c s VAL 61 N -4.89 3.02 0.05 -0.54 1.01 -1.26 -4.96 120.40 112.83 1l8c s VAL 61 Ca -0.09 0.41 -0.20 0.00 0.00 0.00 0.00 61.98 62.10 1l8c s VAL 61 Cb 0.15 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 1l8c s VAL 61 CO 0.80 -0.01 1.32 0.00 0.00 0.00 0.00 175.10 177.21 1l8c h ALA 62 N 8.65 -0.92 -0.64 5.51 0.00 -2.00 -3.13 119.26 126.74 1l8c h ALA 62 Ca -0.43 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.47 1l8c h ALA 62 Cb 1.20 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 1l8c h ALA 62 CO 0.94 -0.96 0.42 0.45 0.00 0.00 0.00 179.25 180.10 1l8c h HIS 63 N -0.53 0.54 -0.48 0.00 3.86 -1.98 -2.87 115.15 113.70 1l8c h HIS 63 Ca -0.02 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1l8c h HIS 63 Cb 0.48 -0.18 -0.07 0.00 1.06 0.00 0.00 27.41 28.71 1l8c h HIS 63 CO -0.25 0.27 0.09 0.00 0.86 0.00 0.00 177.93 178.90 1l8c h ALA 65 N 1.37 -0.47 0.32 0.00 0.00 -1.55 -3.27 119.26 115.67 1l8c h ALA 65 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1l8c h ALA 65 Cb 0.32 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1l8c h ALA 65 CO -0.31 -0.68 -0.21 0.77 0.00 0.00 0.00 179.25 178.81 1l8c h SER 66 N -0.63 -0.54 -0.85 0.00 0.02 -1.42 -3.15 113.55 106.99 1l8c h SER 66 Ca -0.05 0.04 0.19 0.00 -0.84 0.00 0.00 61.79 61.13 1l8c h SER 66 Cb 0.46 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.10 1l8c h SER 66 CO 0.08 -0.34 0.57 0.77 -1.14 0.00 0.00 176.83 176.77 1l8c h SER 67 N -0.52 0.36 0.18 3.07 4.64 -0.82 -0.62 113.55 119.83 1l8c h SER 67 Ca -0.03 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1l8c h SER 67 Cb 0.44 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1l8c h SER 67 CO 0.02 0.16 -0.09 0.03 -0.87 0.00 0.00 176.83 176.08 1l8c h ARG 68 N 0.37 -0.23 -0.25 4.77 3.08 -1.60 -3.25 114.38 117.26 1l8c h ARG 68 Ca 0.43 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.55 1l8c h ARG 68 Cb 1.11 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 31.14 1l8c h ARG 68 CO -0.14 0.12 -0.38 0.37 -1.07 0.00 0.00 179.97 178.86 1l8c h GLN 69 N -0.62 -0.37 -0.71 0.04 -0.00 -1.11 0.66 115.11 113.00 1l8c h GLN 69 Ca -0.02 0.03 0.13 0.00 -0.00 0.00 0.00 58.65 58.78 1l8c h GLN 69 Cb 0.46 0.08 -0.09 0.00 0.00 0.00 0.00 27.48 27.93 1l8c h GLN 69 CO 0.04 -0.25 0.25 -0.84 0.00 0.00 0.00 178.83 178.03 1l8c h ILE 70 N -0.38 0.65 -0.10 2.39 3.07 -1.43 -0.32 117.51 121.38 1l8c h ILE 70 Ca 0.11 -0.13 -0.22 0.00 1.55 0.00 0.00 64.86 66.17 1l8c h ILE 70 Cb 0.58 0.23 0.01 0.00 -0.27 0.00 0.00 36.82 37.37 1l8c h ILE 70 CO -0.46 0.07 -0.82 0.40 -1.05 0.00 0.00 178.15 176.29 1l8c h ILE 71 N 0.39 1.31 -0.43 0.16 1.08 -1.50 -2.05 117.51 116.47 1l8c h ILE 71 Ca 0.39 -2.08 0.08 0.00 -0.39 0.00 0.00 64.86 62.85 1l8c h ILE 71 Cb 0.58 2.10 -0.07 0.00 -3.07 0.00 0.00 36.82 36.36 1l8c h ILE 71 CO -0.41 0.65 0.02 0.28 -0.69 0.00 0.00 178.15 178.01 1l8c h SER 72 N 0.44 -0.13 0.45 1.72 0.02 -0.34 -0.79 113.55 114.92 1l8c h SER 72 Ca -0.06 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1l8c h SER 72 Cb 1.44 0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.14 1l8c h SER 72 CO 0.16 -0.03 -0.25 -0.74 -1.14 0.00 0.00 176.83 174.83 1l8c h HIS 73 N 0.14 -0.66 -0.73 3.45 -0.00 -1.05 -2.74 115.15 113.57 1l8c h HIS 73 Ca 0.21 -0.01 0.16 0.00 -0.00 0.00 0.00 60.37 60.73 1l8c h HIS 73 Cb 0.30 0.23 -0.12 0.00 -0.00 0.00 0.00 27.41 27.81 1l8c h HIS 73 CO -0.26 -0.38 0.07 2.35 -0.00 0.00 0.00 177.93 179.70 1l8c h TRP 74 N -0.64 0.07 -0.23 5.26 7.01 -1.12 0.11 115.95 126.41 1l8c h TRP 74 Ca -0.06 0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1l8c h TRP 74 Cb 0.51 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 1l8c h TRP 74 CO 0.05 -0.18 0.14 -0.22 -2.79 0.00 0.00 178.44 175.43 1l8c h LYS 75 N 0.16 0.27 -0.14 2.65 3.64 -1.20 -3.09 116.57 118.86 1l8c h LYS 75 Ca 0.40 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.61 1l8c h LYS 75 Cb 0.70 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1l8c h LYS 75 CO -0.59 0.18 -0.56 -0.91 -2.27 0.00 0.00 179.45 175.30 1l8c h ASN 76 N 0.28 0.47 -2.53 4.20 2.35 -1.03 -3.46 115.58 115.86 1l8c h ASN 76 Ca 0.09 -0.25 -0.54 0.00 -0.55 0.00 0.00 56.30 55.05 1l8c h ASN 76 Cb -0.01 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.24 1l8c h ASN 76 CO -0.04 0.93 1.13 0.00 -1.65 0.00 0.00 177.43 177.80 1l8c n THR 78 N 5.28 0.71 -1.15 0.00 -2.24 -1.26 -4.96 114.28 110.66 1l8c n THR 78 Ca 0.18 -1.71 -0.35 0.00 -2.27 0.00 0.00 64.05 59.90 1l8c n THR 78 Cb 0.41 0.60 0.10 0.00 -2.10 0.00 0.00 70.33 69.35 1l8c n THR 78 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1l8c n ARG 79 N -0.02 0.21 0.07 -0.78 3.00 -1.26 -4.96 116.66 112.92 1l8c n ARG 79 Ca 0.10 0.13 -0.12 0.00 -0.00 0.00 0.00 57.85 57.96 1l8c n ARG 79 Cb 1.00 -2.15 -0.07 0.00 0.00 0.00 0.00 32.46 31.24 1l8c n ARG 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1l8c h HIS 80 N -0.74 -0.12 -2.39 -0.14 -0.00 -2.04 -3.44 115.15 106.29 1l8c h HIS 80 Ca -0.46 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 59.85 1l8c h HIS 80 Cb 1.32 0.04 -0.25 0.00 -0.00 0.00 0.00 27.41 28.52 1l8c h HIS 80 CO 0.41 -0.07 -0.20 0.16 -0.00 0.00 0.00 177.93 178.23 1l8c s ASP 81 N -5.09 -0.66 0.01 3.26 -4.77 -1.26 -4.99 116.67 103.16 1l8c s ASP 81 Ca -0.14 1.14 0.05 0.00 -3.30 0.00 0.00 52.55 50.30 1l8c s ASP 81 Cb 0.06 1.13 -0.01 0.00 -1.09 0.00 0.00 42.92 43.01 1l8c s ASP 81 CO 0.66 -0.21 -0.14 0.00 0.70 0.00 0.00 175.17 176.17 1l8c n PRO 83 N 2.42 0.11 0.01 0.00 -0.04 -1.26 -3.03 135.00 133.21 1l8c n PRO 83 Ca -0.16 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1l8c n PRO 83 Cb 0.55 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1l8c n PRO 83 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1l8c n VAL 84 N -2.05 0.14 -0.01 0.52 0.31 -1.26 -4.81 118.33 111.17 1l8c n VAL 84 Ca -0.01 0.05 -0.10 0.00 -0.01 0.00 0.00 64.34 64.27 1l8c n VAL 84 Cb 0.04 -1.20 -0.03 0.00 -0.91 0.00 0.00 33.84 31.74 1l8c n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1l8c h LEU 86 N -0.33 -1.21 -0.69 0.00 7.12 -1.88 0.23 115.31 118.53 1l8c h LEU 86 Ca 0.11 0.09 0.07 0.00 0.13 0.00 0.00 57.88 58.28 1l8c h LEU 86 Cb 0.50 0.39 -0.06 0.00 -0.53 0.00 0.00 40.66 40.96 1l8c h LEU 86 CO -0.34 -0.62 0.38 1.55 -0.13 0.00 0.00 178.44 179.28 1l8c h PRO 87 N -0.94 0.67 0.08 5.25 0.13 -1.76 0.21 132.00 135.64 1l8c h PRO 87 Ca -0.07 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1l8c h PRO 87 Cb 0.80 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1l8c h PRO 87 CO -0.02 0.44 -0.09 -0.07 -0.23 0.00 0.00 178.00 178.02 1l8c h LEU 88 N 0.69 -0.25 -0.23 1.56 3.38 -1.29 -1.49 115.31 117.67 1l8c h LEU 88 Ca 0.32 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.34 1l8c h LEU 88 Cb 0.23 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1l8c h LEU 88 CO -0.20 -0.15 0.07 0.50 0.09 0.00 0.00 178.44 178.75 1l8c h LYS 89 N -0.20 0.16 -0.35 1.13 3.64 -0.62 -0.87 116.57 119.45 1l8c h LYS 89 Ca 0.01 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1l8c h LYS 89 Cb 0.20 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1l8c h LYS 89 CO -0.04 0.11 0.04 -0.97 -2.27 0.00 0.00 179.45 176.32 1l8c h ASN 90 N 0.17 -0.05 -0.12 4.20 -0.73 -0.88 -0.09 115.58 118.08 1l8c h ASN 90 Ca 0.10 0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.34 1l8c h ASN 90 Cb 0.08 0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 1l8c h ASN 90 CO -0.12 0.01 0.06 0.00 -0.37 0.00 0.00 177.43 177.02 1l8c h ALA 91 N 1.28 0.16 -0.43 1.57 0.00 -1.05 -3.24 119.26 117.54 1l8c h ALA 91 Ca 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1l8c h ALA 91 Cb 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1l8c h ALA 91 CO -0.24 -0.29 0.27 0.77 0.00 0.00 0.00 179.25 179.75 1l8c h SER 92 N 0.09 0.45 -2.57 0.00 0.02 -0.88 -3.42 113.55 107.24 1l8c h SER 92 Ca 0.04 -0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.42 1l8c h SER 92 Cb 0.09 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1l8c h SER 92 CO -0.01 0.32 1.23 -0.62 -1.14 0.00 0.00 176.83 176.61 1l8c s ASP 93 N -5.55 6.15 0.04 3.07 2.15 -0.07 -5.00 116.67 117.46 1l8c s ASP 93 Ca -0.13 1.75 -0.04 0.00 0.43 0.00 0.00 52.55 54.56 1l8c s ASP 93 Cb 0.11 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.19 1l8c s ASP 93 CO 0.73 -1.42 0.06 -0.54 -0.17 0.00 0.00 175.17 173.82 1l8c s LYS 94 N 5.09 0.59 0.00 4.34 1.02 -1.26 -4.92 119.74 124.59 1l8c s LYS 94 Ca 0.80 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.91 1l8c s LYS 94 Cb -0.28 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.25 1l8c s LYS 94 CO 0.32 -0.14 0.00 0.54 -0.92 0.00 0.00 175.35 175.16