#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 -0.04 0.22 0.00 -1.08 -1.26 -5.08 116.67 109.43 1l8c s ASP 2 Ca 0.00 0.11 -0.09 0.00 -0.52 0.00 0.00 52.55 52.05 1l8c s ASP 2 Cb 0.00 0.08 0.21 0.00 -1.46 0.00 0.00 42.92 41.75 1l8c s ASP 2 CO 0.00 -0.05 1.86 1.55 0.52 0.00 0.00 175.17 179.05 1l8c h PRO 3 N 6.39 0.91 -0.73 4.34 0.13 -2.06 -2.61 132.00 138.37 1l8c h PRO 3 Ca -0.30 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 1l8c h PRO 3 Cb 1.19 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 1l8c h PRO 3 CO 0.47 0.60 0.35 1.49 -0.23 0.00 0.00 178.00 180.69 1l8c h GLU 4 N 0.94 1.05 -0.82 0.86 4.81 -1.99 -1.62 114.58 117.81 1l8c h GLU 4 Ca 0.30 -0.15 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 1l8c h GLU 4 Cb 0.01 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.15 1l8c h GLU 4 CO -0.11 0.82 0.54 0.87 -0.73 0.00 0.00 179.01 180.40 1l8c h LYS 5 N 1.02 0.90 -0.36 1.92 1.57 -1.92 -0.19 116.57 119.51 1l8c h LYS 5 Ca 0.25 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1l8c h LYS 5 Cb 0.12 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1l8c h LYS 5 CO -0.03 0.60 0.09 -0.09 -0.57 0.00 0.00 179.45 179.45 1l8c h ARG 6 N 0.93 0.57 -0.44 3.15 2.43 -1.01 -0.77 114.38 119.22 1l8c h ARG 6 Ca 0.35 -0.13 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1l8c h ARG 6 Cb 0.18 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1l8c h ARG 6 CO -0.12 0.61 0.14 0.87 -1.51 0.00 0.00 179.97 179.95 1l8c h LYS 7 N 0.43 0.29 -0.33 0.20 1.57 -0.51 0.50 116.57 118.71 1l8c h LYS 7 Ca 0.11 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1l8c h LYS 7 Cb 0.29 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1l8c h LYS 7 CO -0.00 0.19 0.18 -0.07 -0.57 0.00 0.00 179.45 179.17 1l8c h LEU 8 N 0.29 0.27 0.21 2.94 3.38 -0.90 -2.34 115.31 119.17 1l8c h LEU 8 Ca 0.21 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1l8c h LEU 8 Cb 0.23 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1l8c h LEU 8 CO -0.24 0.20 -0.13 0.40 0.09 0.00 0.00 178.44 178.77 1l8c h ILE 9 N 0.36 0.73 -0.43 1.22 2.04 -0.73 -3.04 117.51 117.67 1l8c h ILE 9 Ca 0.13 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.06 1l8c h ILE 9 Cb 0.03 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 36.75 1l8c h ILE 9 CO -0.08 0.00 -0.43 1.56 0.00 0.00 0.00 178.15 179.20 1l8c h GLN 10 N -0.33 -0.30 -0.24 2.37 4.20 -0.74 -0.97 115.11 119.11 1l8c h GLN 10 Ca -0.02 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1l8c h GLN 10 Cb 0.27 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 1l8c h GLN 10 CO 0.02 -0.20 0.01 -0.56 -0.67 0.00 0.00 178.83 177.43 1l8c h GLN 11 N -0.31 0.08 -0.53 1.46 3.07 -1.44 -2.49 115.11 114.95 1l8c h GLN 11 Ca 0.14 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.87 1l8c h GLN 11 Cb 0.58 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 28.10 1l8c h GLN 11 CO -0.59 0.06 0.31 1.96 0.09 0.00 0.00 178.83 180.65 1l8c h GLN 12 N 0.09 0.72 0.25 0.06 4.20 -1.34 -0.71 115.11 118.37 1l8c h GLN 12 Ca 0.11 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1l8c h GLN 12 Cb 0.14 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1l8c h GLN 12 CO -0.18 0.52 -0.30 1.25 -0.67 0.00 0.00 178.83 179.44 1l8c h LEU 13 N 0.73 -0.83 -0.36 1.46 6.46 -0.76 -0.19 115.31 121.81 1l8c h LEU 13 Ca 0.19 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1l8c h LEU 13 Cb -0.01 0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1l8c h LEU 13 CO -0.03 -0.42 0.24 0.58 -0.62 0.00 0.00 178.44 178.18 1l8c h VAL 14 N -0.61 1.09 -0.01 1.05 2.07 -1.12 -2.33 116.25 116.40 1l8c h VAL 14 Ca -0.00 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1l8c h VAL 14 Cb 0.57 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1l8c h VAL 14 CO -0.09 0.09 -0.09 -0.07 0.02 0.00 0.00 177.57 177.42 1l8c h LEU 15 N 0.48 -0.27 -0.78 2.57 3.38 -0.97 -1.91 115.31 117.81 1l8c h LEU 15 Ca 0.13 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.20 1l8c h LEU 15 Cb -0.05 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1l8c h LEU 15 CO -0.03 -0.13 0.48 0.25 0.09 0.00 0.00 178.44 179.09 1l8c h LEU 16 N -0.16 0.75 0.01 1.67 5.85 -0.94 -0.44 115.31 122.06 1l8c h LEU 16 Ca 0.04 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1l8c h LEU 16 Cb 0.21 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1l8c h LEU 16 CO -0.10 0.49 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.42 1l8c h LEU 17 N 0.89 -0.01 -0.30 2.25 3.38 -1.29 -2.96 115.31 117.27 1l8c h LEU 17 Ca 0.34 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.30 1l8c h LEU 17 Cb 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1l8c h LEU 17 CO -0.16 0.06 -0.07 -0.74 0.09 0.00 0.00 178.44 177.62 1l8c h HIS 18 N -0.08 -0.15 -0.91 1.13 2.76 -0.95 -2.69 115.15 114.26 1l8c h HIS 18 Ca -0.00 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.33 1l8c h HIS 18 Cb 0.08 0.11 -0.15 0.00 1.55 0.00 0.00 27.41 29.00 1l8c h HIS 18 CO -0.06 -0.12 -0.41 0.00 -1.30 0.00 0.00 177.93 176.04 1l8c h ALA 19 N 1.30 0.01 -0.14 5.26 0.00 -0.91 0.86 119.26 125.63 1l8c h ALA 19 Ca 0.14 0.23 -0.22 0.00 0.00 0.00 0.00 54.91 55.06 1l8c h ALA 19 Cb 0.22 1.03 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1l8c h ALA 19 CO -0.30 -0.69 -0.79 1.25 0.00 0.00 0.00 179.25 178.72 1l8c h HIS 20 N -0.04 1.01 -0.32 0.00 6.17 -1.53 -1.88 115.15 118.55 1l8c h HIS 20 Ca 0.30 -0.45 0.06 0.00 0.71 0.00 0.00 60.37 60.99 1l8c h HIS 20 Cb 0.57 -0.15 -0.06 0.00 2.52 0.00 0.00 27.41 30.28 1l8c h HIS 20 CO -0.85 1.28 -0.08 -0.22 0.71 0.00 0.00 177.93 178.76 1l8c h LYS 21 N 0.50 0.00 0.06 5.26 3.64 -0.92 0.16 116.57 125.27 1l8c h LYS 21 Ca -0.05 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1l8c h LYS 21 Cb 1.41 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.21 1l8c h LYS 21 CO 0.16 0.00 -0.13 0.00 -2.27 0.00 0.00 179.45 177.21 1l8c h GLN 23 N -0.26 -0.11 -0.24 0.00 4.15 -0.88 -0.86 115.11 116.91 1l8c h GLN 23 Ca 0.03 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.51 1l8c h GLN 23 Cb 0.28 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.94 1l8c h GLN 23 CO -0.08 -0.08 -0.15 -0.09 -1.93 0.00 0.00 178.83 176.50 1l8c h ARG 24 N -0.12 -0.12 -0.01 1.69 9.65 -0.59 0.14 114.38 125.03 1l8c h ARG 24 Ca 0.08 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.99 1l8c h ARG 24 Cb 0.23 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.80 1l8c h ARG 24 CO -0.18 -0.08 -0.20 -0.09 2.80 0.00 0.00 179.97 182.22 1l8c h ARG 25 N -0.13 -0.30 -0.35 0.20 2.43 -0.98 -0.80 114.38 114.44 1l8c h ARG 25 Ca 0.13 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 1l8c h ARG 25 Cb 0.33 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 1l8c h ARG 25 CO -0.32 -0.20 0.03 1.49 -1.51 0.00 0.00 179.97 179.46 1l8c h GLU 26 N -0.31 0.13 -0.30 0.20 4.81 -0.84 -0.08 114.58 118.20 1l8c h GLU 26 Ca 0.06 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1l8c h GLU 26 Cb 0.39 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1l8c h GLU 26 CO -0.19 0.09 0.16 1.96 -0.73 0.00 0.00 179.01 180.30 1l8c h GLN 27 N 0.14 0.32 0.17 1.92 4.20 -0.75 -2.78 115.11 118.33 1l8c h GLN 27 Ca 0.17 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1l8c h GLN 27 Cb 0.22 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1l8c h GLN 27 CO -0.26 0.21 -0.08 0.00 -0.67 0.00 0.00 178.83 178.03 1l8c h ALA 28 N 1.14 -0.23 -2.65 3.87 0.00 -0.85 -3.43 119.26 117.11 1l8c h ALA 28 Ca 0.12 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.67 1l8c h ALA 28 Cb 0.02 0.09 -0.34 0.00 0.00 0.00 0.00 17.79 17.56 1l8c h ALA 28 CO -0.07 -0.59 -0.59 1.21 0.00 0.00 0.00 179.25 179.21 1l8c s ASN 29 N -5.06 0.93 0.05 0.00 2.47 -0.07 -5.10 114.94 108.15 1l8c s ASN 29 Ca -0.14 0.11 -0.31 0.00 0.42 0.00 0.00 52.86 52.94 1l8c s ASN 29 Cb 0.05 0.51 -0.08 0.00 -1.45 0.00 0.00 41.25 40.28 1l8c s ASN 29 CO 0.64 -0.29 1.63 -0.83 -3.72 0.00 0.00 177.10 174.53 1l8c s GLY 30 N 2.36 1.59 -0.03 1.21 0.00 -1.06 -4.09 107.32 107.30 1l8c s GLY 30 Ca 0.05 1.15 -0.03 0.00 0.00 0.00 0.00 44.72 45.89 1l8c s GLY 30 CO -0.11 2.86 0.10 1.85 0.00 0.00 0.00 173.10 177.80 1l8c s GLU 31 N 2.72 0.12 -0.11 2.90 2.56 -1.26 -5.09 118.70 120.55 1l8c s GLU 31 Ca 0.73 0.11 -0.04 0.00 0.00 0.00 0.00 54.97 55.77 1l8c s GLU 31 Cb -0.38 0.06 -0.03 0.00 2.00 0.00 0.00 34.13 35.78 1l8c s GLU 31 CO 0.31 -0.02 0.05 0.28 -0.56 0.00 0.00 175.26 175.32 1l8c h VAL 32 N 4.97 0.16 -1.66 3.70 2.07 -2.02 -3.41 116.25 120.06 1l8c h VAL 32 Ca -0.25 -1.12 -0.71 0.00 0.82 0.00 0.00 66.70 65.44 1l8c h VAL 32 Cb 1.20 0.30 -0.14 0.00 -1.52 0.00 0.00 31.29 31.14 1l8c h VAL 32 CO 0.45 0.05 1.66 -0.13 0.02 0.00 0.00 177.57 179.62 1l8c s ARG 33 N -1.68 4.02 0.19 1.57 0.52 -1.26 -4.43 118.95 117.88 1l8c s ARG 33 Ca -0.03 -2.30 0.00 0.00 -0.52 0.00 0.00 55.73 52.88 1l8c s ARG 33 Cb 0.00 -5.24 0.00 0.00 0.52 0.00 0.00 34.95 30.23 1l8c s ARG 33 CO 0.09 -1.96 0.00 0.00 0.02 0.00 0.00 175.30 173.44 1l8c n ALA 34 N 6.79 3.00 -1.20 2.13 0.00 -1.26 -5.12 120.51 124.85 1l8c n ALA 34 Ca 0.41 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.53 1l8c n ALA 34 Cb 0.44 0.05 0.10 0.00 0.00 0.00 0.00 19.45 20.05 1l8c n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8c n SER 36 N -3.36 0.08 -4.69 0.00 3.41 -1.26 -5.10 113.62 102.70 1l8c n SER 36 Ca 0.10 0.34 -0.44 0.00 -0.26 0.00 0.00 58.87 58.61 1l8c n SER 36 Cb 0.52 0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 64.64 1l8c n SER 36 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1l8c n LEU 37 N -3.32 3.69 -0.11 1.04 4.77 -1.26 -4.95 117.00 116.87 1l8c n LEU 37 Ca 0.00 1.02 -0.11 0.00 -0.03 0.00 0.00 56.01 56.90 1l8c n LEU 37 Cb 0.02 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 39.59 1l8c n LEU 37 CO 0.00 0.02 0.78 1.55 -1.33 0.00 0.00 177.39 178.41 1l8c h PRO 38 N 7.62 0.54 0.00 3.23 0.13 -2.05 -3.12 132.00 138.35 1l8c h PRO 38 Ca -0.46 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1l8c h PRO 38 Cb 1.23 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1l8c h PRO 38 CO 0.93 0.68 0.00 0.72 -0.23 0.00 0.00 178.00 180.10 1l8c n HIS 39 N -4.56 0.00 -0.19 1.56 8.25 -1.26 -3.46 115.22 115.55 1l8c n HIS 39 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1l8c n HIS 39 Cb 0.25 -0.09 0.10 0.00 1.12 0.00 0.00 29.99 31.37 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 0.31 0.23 0.11 0.00 2.43 -1.81 0.97 114.38 116.63 1l8c h ARG 41 Ca 0.30 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1l8c h ARG 41 Cb 0.40 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1l8c h ARG 41 CO -0.35 0.15 -0.15 1.15 -1.51 0.00 0.00 179.97 179.26 1l8c h THR 42 N 0.24 0.65 -0.93 0.20 2.02 -1.53 -2.17 112.91 111.39 1l8c h THR 42 Ca 0.26 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.45 1l8c h THR 42 Cb 0.35 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 1l8c h THR 42 CO -0.34 0.00 0.61 0.24 0.37 0.00 0.00 175.52 176.41 1l8c h MET 43 N -0.32 1.20 -0.63 6.66 2.86 -0.62 -1.78 114.93 122.30 1l8c h MET 43 Ca 0.02 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1l8c h MET 43 Cb 0.32 -0.27 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 1l8c h MET 43 CO -0.07 0.80 0.37 0.87 1.06 0.00 0.00 176.91 179.94 1l8c h LYS 44 N 1.24 0.69 -0.10 1.72 1.57 -0.60 0.18 116.57 121.27 1l8c h LYS 44 Ca 0.35 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1l8c h LYS 44 Cb -0.12 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.03 1l8c h LYS 44 CO -0.08 0.45 0.06 -0.91 -0.57 0.00 0.00 179.45 178.40 1l8c h ASN 45 N 0.71 0.12 0.24 0.86 2.35 -1.02 -0.98 115.58 117.85 1l8c h ASN 45 Ca 0.27 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1l8c h ASN 45 Cb 0.09 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1l8c h ASN 45 CO -0.14 0.15 -0.33 0.58 -1.65 0.00 0.00 177.43 176.04 1l8c h VAL 46 N 0.08 0.30 -0.36 2.81 2.07 -0.99 -2.44 116.25 117.73 1l8c h VAL 46 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1l8c h VAL 46 Cb 0.06 0.30 -0.09 0.00 -1.52 0.00 0.00 31.29 30.04 1l8c h VAL 46 CO -0.01 0.00 -0.38 0.25 0.02 0.00 0.00 177.57 177.45 1l8c h LEU 47 N -0.63 -1.27 -0.07 2.57 7.12 -0.60 0.10 115.31 122.53 1l8c h LEU 47 Ca 0.00 0.20 0.04 0.00 0.13 0.00 0.00 57.88 58.25 1l8c h LEU 47 Cb 0.61 0.56 -0.06 0.00 -0.53 0.00 0.00 40.66 41.24 1l8c h LEU 47 CO -0.12 -0.36 -0.39 -1.13 -0.13 0.00 0.00 178.44 176.31 1l8c h ASN 48 N -0.32 -1.20 -0.39 1.25 -1.24 -1.10 -2.20 115.58 110.38 1l8c h ASN 48 Ca 0.14 0.16 0.05 0.00 0.71 0.00 0.00 56.30 57.36 1l8c h ASN 48 Cb 0.57 0.48 -0.04 0.00 0.73 0.00 0.00 38.32 40.06 1l8c h ASN 48 CO -0.53 -0.42 0.12 -0.74 -1.29 0.00 0.00 177.43 174.57 1l8c h HIS 49 N -0.50 0.22 -0.72 0.67 2.76 -1.09 -2.93 115.15 113.56 1l8c h HIS 49 Ca 0.07 0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.41 1l8c h HIS 49 Cb 0.61 -0.04 -0.13 0.00 1.55 0.00 0.00 27.41 29.40 1l8c h HIS 49 CO -0.43 0.08 -0.15 1.98 -1.30 0.00 0.00 177.93 178.11 1l8c h MET 50 N 0.28 0.01 -0.45 5.26 4.05 -0.23 0.85 114.93 124.70 1l8c h MET 50 Ca 0.18 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1l8c h MET 50 Cb 0.17 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 1l8c h MET 50 CO -0.19 0.01 0.28 1.79 0.23 0.00 0.00 176.91 179.02 1l8c h THR 51 N 0.01 1.14 -0.14 -0.77 1.35 -1.23 -3.23 112.91 110.04 1l8c h THR 51 Ca 0.35 -0.30 -0.08 0.00 -0.55 0.00 0.00 66.41 65.83 1l8c h THR 51 Cb 0.56 0.52 -0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1l8c h THR 51 CO -0.72 0.14 -0.24 0.45 -0.25 0.00 0.00 175.52 174.90 1l8c h HIS 52 N 0.60 0.50 -1.46 4.73 3.86 -1.28 -3.44 115.15 118.67 1l8c h HIS 52 Ca 0.16 -0.17 -0.57 0.00 -1.16 0.00 0.00 60.37 58.63 1l8c h HIS 52 Cb -0.02 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1l8c h HIS 52 CO -0.03 0.85 1.53 0.00 0.86 0.00 0.00 177.93 181.14 1l8c h GLN 54 N 15.32 0.00 0.00 0.00 1.08 -1.86 -3.46 115.11 126.19 1l8c h GLN 54 Ca -0.29 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.59 1l8c h GLN 54 Cb 1.28 0.00 0.15 0.00 -0.05 0.00 0.00 27.48 28.86 1l8c h GLN 54 CO 1.06 0.00 0.16 0.00 -0.95 0.00 0.00 178.83 179.10 1l8c n ALA 55 N -1.89 -2.31 -2.00 3.87 0.00 -1.26 -5.11 120.51 111.81 1l8c n ALA 55 Ca 0.03 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1l8c n ALA 55 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1l8c n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l8c n GLY 56 N -2.87 1.83 0.22 0.00 0.00 -1.26 -4.96 105.19 98.15 1l8c n GLY 56 Ca 0.12 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -0.23 1.61 6.56 -1.97 -3.33 116.57 119.21 1l8c h LYS 57 Ca 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1l8c h LYS 57 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1l8c h LYS 57 CO 0.00 0.26 0.13 0.00 -2.06 0.00 0.00 179.45 177.78 1l8c h ALA 58 N 1.74 1.79 -2.40 3.86 0.00 -1.98 -3.45 119.26 118.82 1l8c h ALA 58 Ca -0.00 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 54.34 1l8c h ALA 58 Cb 0.57 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.28 1l8c h ALA 58 CO 0.03 0.18 1.21 0.00 0.00 0.00 0.00 179.25 180.67 1l8c h GLN 60 N 10.10 0.00 -6.24 0.00 1.08 -1.96 -3.39 115.11 114.70 1l8c h GLN 60 Ca -0.49 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.15 1l8c h GLN 60 Cb 1.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 1l8c h GLN 60 CO 0.94 0.10 1.23 0.08 -0.95 0.00 0.00 178.83 180.23 1l8c s VAL 61 N -4.13 3.36 0.18 -0.54 1.01 -1.26 -4.92 120.40 114.10 1l8c s VAL 61 Ca -0.03 0.42 -0.24 0.00 0.00 0.00 0.00 61.98 62.13 1l8c s VAL 61 Cb 0.13 -3.35 0.08 0.00 0.00 0.00 0.00 36.38 33.24 1l8c s VAL 61 CO 0.57 -0.13 1.57 0.00 0.00 0.00 0.00 175.10 177.11 1l8c h ALA 62 N 11.42 -0.21 -0.31 5.51 0.00 -2.00 -1.46 119.26 132.22 1l8c h ALA 62 Ca -0.40 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1l8c h ALA 62 Cb 1.20 0.96 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 1l8c h ALA 62 CO 0.97 -0.78 0.11 0.45 0.00 0.00 0.00 179.25 180.00 1l8c h HIS 63 N -0.17 0.49 -0.22 0.00 3.86 -1.96 -1.67 115.15 115.49 1l8c h HIS 63 Ca 0.21 -0.05 0.04 0.00 -1.16 0.00 0.00 60.37 59.42 1l8c h HIS 63 Cb 0.56 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.85 1l8c h HIS 63 CO -0.74 0.49 -0.03 0.00 0.86 0.00 0.00 177.93 178.51 1l8c h ALA 65 N 1.20 -1.17 0.01 0.00 0.00 -1.25 -3.30 119.26 114.75 1l8c h ALA 65 Ca 0.10 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1l8c h ALA 65 Cb 0.15 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1l8c h ALA 65 CO -0.20 -1.18 -0.17 0.77 0.00 0.00 0.00 179.25 178.46 1l8c h SER 66 N -1.02 -0.51 -0.88 0.00 0.02 -1.13 -3.25 113.55 106.79 1l8c h SER 66 Ca -0.07 0.07 0.22 0.00 -0.84 0.00 0.00 61.79 61.17 1l8c h SER 66 Cb 0.86 0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.56 1l8c h SER 66 CO -0.02 -0.24 0.60 0.77 -1.14 0.00 0.00 176.83 176.80 1l8c h SER 67 N -0.29 0.25 0.37 3.07 4.64 -1.00 -2.21 113.55 118.37 1l8c h SER 67 Ca 0.05 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1l8c h SER 67 Cb 0.36 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1l8c h SER 67 CO -0.16 0.10 -0.22 0.03 -0.87 0.00 0.00 176.83 175.70 1l8c h ARG 68 N 0.25 -0.54 -0.20 4.77 3.08 -1.63 -3.16 114.38 116.94 1l8c h ARG 68 Ca 0.45 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.58 1l8c h ARG 68 Cb 1.34 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 31.46 1l8c h ARG 68 CO -0.12 -0.36 -0.11 1.96 -1.07 0.00 0.00 179.97 180.27 1l8c h GLN 69 N -0.56 -0.10 -0.79 0.04 7.50 -1.57 -0.44 115.11 119.19 1l8c h GLN 69 Ca -0.04 0.01 0.13 0.00 0.50 0.00 0.00 58.65 59.25 1l8c h GLN 69 Cb 0.46 0.02 -0.09 0.00 0.05 0.00 0.00 27.48 27.93 1l8c h GLN 69 CO 0.04 -0.06 0.38 -0.84 -1.50 0.00 0.00 178.83 176.85 1l8c h ILE 70 N -0.10 0.73 0.04 2.54 3.07 -1.57 0.11 117.51 122.34 1l8c h ILE 70 Ca 0.11 -0.20 -0.22 0.00 1.55 0.00 0.00 64.86 66.11 1l8c h ILE 70 Cb 0.27 0.12 0.02 0.00 -0.27 0.00 0.00 36.82 36.96 1l8c h ILE 70 CO -0.27 0.10 -0.89 0.40 -1.05 0.00 0.00 178.15 176.45 1l8c h ILE 71 N 0.57 1.37 -0.46 0.16 1.08 -1.49 -2.79 117.51 115.95 1l8c h ILE 71 Ca 0.42 -2.26 0.08 0.00 -0.39 0.00 0.00 64.86 62.72 1l8c h ILE 71 Cb 0.58 2.64 -0.07 0.00 -3.07 0.00 0.00 36.82 36.90 1l8c h ILE 71 CO -0.35 0.67 0.03 0.28 -0.69 0.00 0.00 178.15 178.09 1l8c h SER 72 N 0.07 -0.13 0.52 1.72 0.02 -0.62 -1.34 113.55 113.81 1l8c h SER 72 Ca -0.12 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1l8c h SER 72 Cb 1.59 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 64.29 1l8c h SER 72 CO 0.17 -0.03 -0.34 -0.74 -1.14 0.00 0.00 176.83 174.76 1l8c h HIS 73 N 0.15 -0.90 -0.74 3.45 -0.00 -0.86 -2.52 115.15 113.73 1l8c h HIS 73 Ca 0.23 -0.01 0.16 0.00 -0.00 0.00 0.00 60.37 60.75 1l8c h HIS 73 Cb 0.33 0.32 -0.11 0.00 -0.00 0.00 0.00 27.41 27.96 1l8c h HIS 73 CO -0.27 -0.50 0.22 2.35 -0.00 0.00 0.00 177.93 179.74 1l8c h TRP 74 N -0.81 0.36 -0.44 5.26 7.01 -1.22 0.13 115.95 126.24 1l8c h TRP 74 Ca -0.07 0.04 -0.04 0.00 2.11 0.00 0.00 58.89 60.93 1l8c h TRP 74 Cb 0.65 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 1l8c h TRP 74 CO -0.05 -0.04 0.13 -0.22 -2.79 0.00 0.00 178.44 175.47 1l8c h LYS 75 N 0.32 0.69 -0.14 2.65 3.64 -1.26 -3.26 116.57 119.21 1l8c h LYS 75 Ca 0.42 -0.15 -0.16 0.00 -1.27 0.00 0.00 60.65 59.48 1l8c h LYS 75 Cb 0.69 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1l8c h LYS 75 CO -0.48 0.67 -0.55 -0.91 -2.27 0.00 0.00 179.45 175.92 1l8c h ASN 76 N 0.57 0.73 -2.44 4.20 2.35 -0.96 -3.46 115.58 116.57 1l8c h ASN 76 Ca 0.14 -0.62 -0.55 0.00 -0.55 0.00 0.00 56.30 54.72 1l8c h ASN 76 Cb 0.28 -0.21 0.05 0.00 0.05 0.00 0.00 38.32 38.49 1l8c h ASN 76 CO -0.00 1.22 0.95 0.00 -1.65 0.00 0.00 177.43 177.95 1l8c n THR 78 N 3.94 0.35 -1.88 0.00 5.66 -1.26 -4.95 114.28 116.14 1l8c n THR 78 Ca 0.17 -0.40 -0.41 0.00 -3.05 0.00 0.00 64.05 60.36 1l8c n THR 78 Cb 0.32 0.60 -0.02 0.00 -1.55 0.00 0.00 70.33 69.69 1l8c n THR 78 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1l8c s ARG 79 N -0.47 4.18 0.31 1.09 3.52 -1.26 -4.94 118.95 121.38 1l8c s ARG 79 Ca 0.04 2.46 0.05 0.00 -0.13 0.00 0.00 55.73 58.15 1l8c s ARG 79 Cb 0.03 -3.06 0.69 0.00 -1.56 0.00 0.00 34.95 31.06 1l8c s ARG 79 CO 0.00 -0.53 1.83 0.45 -0.81 0.00 0.00 175.30 176.24 1l8c h HIS 80 N 4.85 1.01 -0.72 5.12 3.86 -2.03 -3.32 115.15 123.92 1l8c h HIS 80 Ca -0.47 0.03 -0.30 0.00 -1.16 0.00 0.00 60.37 58.47 1l8c h HIS 80 Cb 1.22 -0.32 -0.38 0.00 1.06 0.00 0.00 27.41 28.99 1l8c h HIS 80 CO 0.59 0.35 -1.11 -0.40 0.86 0.00 0.00 177.93 178.21 1l8c n ASP 81 N -4.63 1.29 -4.76 2.45 5.75 -1.26 -4.90 116.55 110.48 1l8c n ASP 81 Ca 0.20 -2.42 -0.41 0.00 -0.01 0.00 0.00 54.79 52.14 1l8c n ASP 81 Cb 0.45 -0.42 -0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1l8c n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1l8c h PRO 83 N 4.10 0.00 0.00 0.00 0.13 -1.99 -3.07 132.00 131.17 1l8c h PRO 83 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1l8c h PRO 83 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1l8c h PRO 83 CO 0.71 0.00 -0.67 0.28 -0.23 0.00 0.00 178.00 178.10 1l8c n VAL 84 N -2.32 0.16 -0.10 1.56 0.31 -1.26 -4.80 118.33 111.89 1l8c n VAL 84 Ca -0.02 0.05 -0.06 0.00 -0.01 0.00 0.00 64.34 64.31 1l8c n VAL 84 Cb 0.08 -1.31 0.01 0.00 -0.91 0.00 0.00 33.84 31.71 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 0.06 -1.06 -1.50 0.00 7.12 -1.82 -0.44 115.31 117.67 1l8c h LEU 86 Ca 0.17 0.08 0.07 0.00 0.13 0.00 0.00 57.88 58.33 1l8c h LEU 86 Cb 0.24 0.34 -0.04 0.00 -0.53 0.00 0.00 40.66 40.67 1l8c h LEU 86 CO -0.31 -0.53 0.42 1.55 -0.13 0.00 0.00 178.44 179.44 1l8c h PRO 87 N -0.82 0.58 -0.02 5.25 0.13 -1.71 0.01 132.00 135.42 1l8c h PRO 87 Ca -0.06 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1l8c h PRO 87 Cb 0.69 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 1l8c h PRO 87 CO -0.02 0.38 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.06 1l8c h LEU 88 N 0.59 0.03 0.45 1.56 3.38 -1.37 -2.69 115.31 117.26 1l8c h LEU 88 Ca 0.28 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1l8c h LEU 88 Cb 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1l8c h LEU 88 CO -0.09 0.34 -0.21 0.50 0.09 0.00 0.00 178.44 179.07 1l8c h LYS 89 N -0.27 -0.58 -3.37 1.13 3.64 -0.64 -3.41 116.57 113.07 1l8c h LYS 89 Ca 0.01 0.04 -0.56 0.00 -1.27 0.00 0.00 60.65 58.86 1l8c h LYS 89 Cb 0.32 0.13 -0.40 0.00 -0.41 0.00 0.00 32.23 31.87 1l8c h LYS 89 CO 0.00 -0.36 -0.76 1.21 -2.27 0.00 0.00 179.45 177.27 1l8c s ASN 90 N -4.70 3.79 -0.07 4.20 2.47 -0.05 -5.10 114.94 115.49 1l8c s ASN 90 Ca -0.16 -1.46 -0.30 0.00 0.42 0.00 0.00 52.86 51.36 1l8c s ASN 90 Cb 0.04 -0.71 -0.05 0.00 -1.45 0.00 0.00 41.25 39.08 1l8c s ASN 90 CO 0.62 -0.41 1.58 0.00 -3.72 0.00 0.00 177.10 175.17 1l8c s ALA 91 N 1.76 3.63 -0.10 1.71 0.00 -1.02 -4.16 121.76 123.58 1l8c s ALA 91 Ca 0.08 0.86 -0.33 0.00 0.00 0.00 0.00 51.96 52.57 1l8c s ALA 91 Cb -0.17 -3.72 -0.11 0.00 0.00 0.00 0.00 23.12 19.13 1l8c s ALA 91 CO -0.26 -1.33 1.96 0.43 0.00 0.00 0.00 175.76 176.56 1l8c n SER 92 N 6.91 3.45 -0.18 0.00 7.64 -1.26 -4.91 113.62 125.28 1l8c n SER 92 Ca 0.16 0.84 -0.05 0.00 1.01 0.00 0.00 58.87 60.84 1l8c n SER 92 Cb 0.43 -1.41 0.13 0.00 -1.01 0.00 0.00 64.21 62.36 1l8c n SER 92 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1l8c h ASP 93 N 10.26 0.89 -1.35 6.43 3.58 -2.02 -3.42 116.42 130.79 1l8c h ASP 93 Ca -0.46 -0.18 -0.59 0.00 0.42 0.00 0.00 57.03 56.22 1l8c h ASP 93 Cb 1.27 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 1l8c h ASP 93 CO 0.95 0.87 1.51 0.29 -2.88 0.00 0.00 179.24 179.99 1l8c n LYS 94 N -4.25 1.22 0.00 0.28 5.02 -1.26 -5.36 118.16 113.81 1l8c n LYS 94 Ca 0.04 0.27 0.03 0.00 -2.02 0.00 0.00 58.31 56.64 1l8c n LYS 94 Cb 0.24 -2.80 0.18 0.00 -0.02 0.00 0.00 35.03 32.64 1l8c n LYS 94 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42