#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 -0.10 0.28 0.00 -1.08 -1.26 -5.08 116.67 109.44 1l8c s ASP 2 Ca 0.00 0.21 -0.03 0.00 -0.52 0.00 0.00 52.55 52.21 1l8c s ASP 2 Cb 0.00 0.19 0.39 0.00 -1.46 0.00 0.00 42.92 42.04 1l8c s ASP 2 CO 0.00 -0.06 1.93 1.55 0.52 0.00 0.00 175.17 179.11 1l8c h PRO 3 N 6.31 1.10 -0.17 4.34 0.13 -2.06 -2.05 132.00 139.61 1l8c h PRO 3 Ca -0.30 -0.09 -0.12 0.00 -0.87 0.00 0.00 66.00 64.62 1l8c h PRO 3 Cb 1.19 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1l8c h PRO 3 CO 0.44 0.77 -0.43 0.93 -0.23 0.00 0.00 178.00 179.48 1l8c h GLU 4 N 1.12 0.40 -0.74 0.86 5.08 -1.99 -1.10 114.58 118.21 1l8c h GLU 4 Ca 0.29 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1l8c h GLU 4 Cb -0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1l8c h GLU 4 CO -0.06 0.75 0.37 0.87 -1.00 0.00 0.00 179.01 179.95 1l8c h LYS 5 N 0.33 1.06 -0.45 2.33 1.57 -1.90 -1.23 116.57 118.28 1l8c h LYS 5 Ca 0.03 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1l8c h LYS 5 Cb 0.89 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1l8c h LYS 5 CO 0.07 0.81 0.25 0.00 -0.57 0.00 0.00 179.45 180.02 1l8c h ARG 6 N 1.04 0.49 -0.39 3.15 3.08 -0.94 -0.15 114.38 120.66 1l8c h ARG 6 Ca 0.26 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.36 1l8c h ARG 6 Cb 0.09 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 29.95 1l8c h ARG 6 CO -0.04 0.33 -0.12 0.87 -1.07 0.00 0.00 179.97 179.94 1l8c h LYS 7 N 0.51 -0.03 -0.32 0.04 6.56 -0.78 0.40 116.57 122.95 1l8c h LYS 7 Ca 0.18 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.80 1l8c h LYS 7 Cb 0.04 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.68 1l8c h LYS 7 CO -0.10 -0.02 0.17 -0.07 -2.06 0.00 0.00 179.45 177.37 1l8c h LEU 8 N -0.03 0.26 -0.34 2.94 3.38 -0.82 -2.55 115.31 118.14 1l8c h LEU 8 Ca 0.19 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1l8c h LEU 8 Cb 0.32 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1l8c h LEU 8 CO -0.42 0.19 0.21 0.40 0.09 0.00 0.00 178.44 178.91 1l8c h ILE 9 N 0.35 1.05 -0.16 1.22 2.04 -0.52 -1.76 117.51 119.73 1l8c h ILE 9 Ca 0.13 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1l8c h ILE 9 Cb 0.03 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 36.64 1l8c h ILE 9 CO -0.08 0.08 -0.31 1.56 0.00 0.00 0.00 178.15 179.39 1l8c h GLN 10 N 0.43 -0.36 -0.60 2.37 4.20 -0.75 -0.98 115.11 119.43 1l8c h GLN 10 Ca 0.13 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1l8c h GLN 10 Cb -0.02 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1l8c h GLN 10 CO -0.05 -0.24 0.25 -0.56 -0.67 0.00 0.00 178.83 177.56 1l8c h GLN 11 N -0.37 0.89 -0.53 1.46 -0.00 -1.34 -2.25 115.11 112.96 1l8c h GLN 11 Ca 0.10 -0.16 0.09 0.00 -0.00 0.00 0.00 58.65 58.69 1l8c h GLN 11 Cb 0.54 -0.15 -0.07 0.00 -0.00 0.00 0.00 27.48 27.79 1l8c h GLN 11 CO -0.37 0.75 0.11 1.96 -0.00 0.00 0.00 178.83 181.28 1l8c h GLN 12 N 0.83 0.24 0.42 0.06 1.08 -0.87 0.11 115.11 116.99 1l8c h GLN 12 Ca 0.20 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 1l8c h GLN 12 Cb 0.19 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1l8c h GLN 12 CO -0.02 0.16 -0.41 1.25 -0.95 0.00 0.00 178.83 178.86 1l8c h LEU 13 N 0.25 -1.12 -0.31 1.46 6.46 -0.98 -0.45 115.31 120.62 1l8c h LEU 13 Ca 0.27 0.09 0.05 0.00 -0.12 0.00 0.00 57.88 58.17 1l8c h LEU 13 Cb 0.37 0.37 -0.05 0.00 -0.73 0.00 0.00 40.66 40.63 1l8c h LEU 13 CO -0.35 -0.57 0.02 0.58 -0.62 0.00 0.00 178.44 177.50 1l8c h VAL 14 N -0.85 0.80 -0.34 1.05 2.07 -1.06 -1.93 116.25 115.98 1l8c h VAL 14 Ca -0.04 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1l8c h VAL 14 Cb 0.75 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1l8c h VAL 14 CO -0.06 0.02 0.19 -0.07 0.02 0.00 0.00 177.57 177.67 1l8c h LEU 15 N 0.11 0.31 -0.51 2.57 3.38 -0.66 -0.49 115.31 120.02 1l8c h LEU 15 Ca 0.15 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1l8c h LEU 15 Cb 0.19 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1l8c h LEU 15 CO -0.23 0.22 0.32 0.25 0.09 0.00 0.00 178.44 179.09 1l8c h LEU 16 N 0.40 0.53 -0.30 1.67 5.85 -0.86 -1.18 115.31 121.42 1l8c h LEU 16 Ca 0.14 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1l8c h LEU 16 Cb 0.01 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1l8c h LEU 16 CO -0.07 0.38 0.20 -0.07 -0.34 0.00 0.00 178.44 178.54 1l8c h LEU 17 N 0.64 0.34 -0.28 2.25 4.07 -1.16 -2.98 115.31 118.19 1l8c h LEU 17 Ca 0.20 -0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.22 1l8c h LEU 17 Cb -0.02 -0.08 -0.07 0.00 1.08 0.00 0.00 40.66 41.57 1l8c h LEU 17 CO -0.07 0.24 -0.19 -0.74 -1.08 0.00 0.00 178.44 176.61 1l8c h HIS 18 N 0.40 -0.48 -0.77 1.13 2.76 -0.58 -0.81 115.15 116.80 1l8c h HIS 18 Ca 0.11 0.04 0.14 0.00 -2.20 0.00 0.00 60.37 58.45 1l8c h HIS 18 Cb -0.04 0.25 -0.14 0.00 1.55 0.00 0.00 27.41 29.03 1l8c h HIS 18 CO -0.06 -0.26 -0.32 0.00 -1.30 0.00 0.00 177.93 175.99 1l8c h ALA 19 N 1.00 0.17 -0.14 5.26 0.00 -1.07 0.14 119.26 124.62 1l8c h ALA 19 Ca 0.15 0.24 -0.18 0.00 0.00 0.00 0.00 54.91 55.12 1l8c h ALA 19 Cb 0.39 0.81 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1l8c h ALA 19 CO -0.38 -0.59 -0.61 1.25 0.00 0.00 0.00 179.25 178.92 1l8c h HIS 20 N -0.07 0.88 -0.20 0.00 6.17 -1.52 -2.77 115.15 117.65 1l8c h HIS 20 Ca 0.31 -0.38 0.05 0.00 0.71 0.00 0.00 60.37 61.06 1l8c h HIS 20 Cb 0.58 -0.14 -0.06 0.00 2.52 0.00 0.00 27.41 30.31 1l8c h HIS 20 CO -0.71 1.19 -0.20 -0.22 0.71 0.00 0.00 177.93 178.70 1l8c h LYS 21 N 0.33 -0.21 0.20 5.26 3.64 -0.18 0.71 116.57 126.33 1l8c h LYS 21 Ca -0.04 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1l8c h LYS 21 Cb 1.25 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.07 1l8c h LYS 21 CO 0.13 -0.14 -0.44 0.00 -2.27 0.00 0.00 179.45 176.73 1l8c h GLN 23 N -0.73 -0.47 0.14 0.00 4.15 -1.24 -0.79 115.11 116.17 1l8c h GLN 23 Ca 0.00 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.47 1l8c h GLN 23 Cb 0.72 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.47 1l8c h GLN 23 CO -0.21 -0.31 -0.41 -0.09 -1.93 0.00 0.00 178.83 175.88 1l8c h ARG 24 N -0.49 -0.63 0.02 1.69 2.43 -0.73 -1.76 114.38 114.92 1l8c h ARG 24 Ca 0.07 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1l8c h ARG 24 Cb 0.61 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 1l8c h ARG 24 CO -0.36 -0.42 -0.27 -0.09 -1.51 0.00 0.00 179.97 177.32 1l8c h ARG 25 N -0.65 -0.41 -0.26 0.20 2.43 -0.93 -0.78 114.38 113.98 1l8c h ARG 25 Ca 0.02 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1l8c h ARG 25 Cb 0.67 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.25 1l8c h ARG 25 CO -0.23 -0.28 -0.15 1.49 -1.51 0.00 0.00 179.97 179.30 1l8c h GLU 26 N -0.43 -0.12 -0.39 0.20 4.57 -1.05 -0.70 114.58 116.67 1l8c h GLU 26 Ca 0.06 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1l8c h GLU 26 Cb 0.50 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 1l8c h GLU 26 CO -0.22 -0.08 0.19 1.96 -1.18 0.00 0.00 179.01 179.68 1l8c h GLN 27 N -0.13 0.55 0.67 1.92 4.20 -1.18 -3.32 115.11 117.83 1l8c h GLN 27 Ca 0.14 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 1l8c h GLN 27 Cb 0.34 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.02 1l8c h GLN 27 CO -0.34 0.48 -0.32 0.00 -0.67 0.00 0.00 178.83 177.98 1l8c h ALA 28 N 1.04 -1.21 -2.14 3.87 0.00 -0.80 -3.46 119.26 116.56 1l8c h ALA 28 Ca 0.13 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1l8c h ALA 28 Cb 0.11 0.35 -0.22 0.00 0.00 0.00 0.00 17.79 18.03 1l8c h ALA 28 CO -0.02 -1.14 -0.13 1.21 0.00 0.00 0.00 179.25 179.17 1l8c s ASN 29 N -3.41 -0.89 0.10 0.00 3.84 -0.30 -5.10 114.94 109.18 1l8c s ASN 29 Ca -0.13 1.41 -0.26 0.00 0.21 0.00 0.00 52.86 54.09 1l8c s ASN 29 Cb 0.01 1.71 0.08 0.00 -0.55 0.00 0.00 41.25 42.50 1l8c s ASN 29 CO 0.40 -0.23 0.78 -0.83 -2.79 0.00 0.00 177.10 174.43 1l8c s GLY 30 N 2.28 -0.46 0.08 1.21 0.00 -1.25 -4.46 107.32 104.72 1l8c s GLY 30 Ca -0.07 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1l8c s GLY 30 CO -0.18 0.20 0.00 -2.21 0.00 0.00 0.00 173.10 170.91 1l8c n GLU 31 N -0.34 0.00 -2.68 2.90 2.13 -1.26 -5.07 120.64 116.32 1l8c n GLU 31 Ca -0.11 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.31 1l8c n GLU 31 Cb 0.63 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.28 1l8c n GLU 31 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1l8c s VAL 32 N -1.23 3.98 0.05 6.31 1.01 -1.26 -4.97 120.40 124.29 1l8c s VAL 32 Ca 0.00 1.95 -0.37 0.00 0.00 0.00 0.00 61.98 63.56 1l8c s VAL 32 Cb 0.00 -4.24 -0.17 0.00 0.00 0.00 0.00 36.38 31.97 1l8c s VAL 32 CO 0.00 0.45 1.39 0.54 0.00 0.00 0.00 175.10 177.47 1l8c n ARG 33 N 1.59 1.16 -0.00 2.72 5.12 -1.26 -4.88 116.66 121.10 1l8c n ARG 33 Ca -0.01 0.42 0.02 0.00 -1.93 0.00 0.00 57.85 56.35 1l8c n ARG 33 Cb 0.47 -2.07 0.38 0.00 -1.16 0.00 0.00 32.46 30.08 1l8c n ARG 33 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1l8c h ALA 34 N 4.86 1.59 -3.01 7.54 0.00 -1.93 -3.45 119.26 124.86 1l8c h ALA 34 Ca -0.48 -0.09 -0.55 0.00 0.00 0.00 0.00 54.91 53.80 1l8c h ALA 34 Cb 1.33 -0.16 0.14 0.00 0.00 0.00 0.00 17.79 19.10 1l8c h ALA 34 CO 0.80 0.33 0.51 0.00 0.00 0.00 0.00 179.25 180.89 1l8c n SER 36 N -1.72 0.02 -4.74 0.00 7.64 -1.26 -5.11 113.62 108.45 1l8c n SER 36 Ca 0.15 0.09 -0.41 0.00 1.01 0.00 0.00 58.87 59.71 1l8c n SER 36 Cb 0.48 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 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 -5.59 4.44 0.06 -3.43 1.43 -1.26 -4.99 118.68 109.34 1l8c s LEU 37 Ca 0.00 2.27 -0.23 0.00 -1.03 0.00 0.00 54.13 55.14 1l8c s LEU 37 Cb 0.00 -3.61 -0.14 0.00 0.03 0.00 0.00 46.19 42.47 1l8c s LEU 37 CO 0.00 -0.41 1.59 1.55 0.23 0.00 0.00 176.35 179.31 1l8c h PRO 38 N 5.30 0.10 0.00 1.29 0.13 -2.05 -3.18 132.00 133.59 1l8c h PRO 38 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1l8c h PRO 38 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1l8c h PRO 38 CO 0.75 0.24 0.00 0.72 -0.23 0.00 0.00 178.00 179.48 1l8c n HIS 39 N -4.95 0.00 -0.18 1.56 8.25 -1.26 -3.93 115.22 114.71 1l8c n HIS 39 Ca -0.06 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.35 1l8c n HIS 39 Cb 0.12 -0.47 0.02 0.00 1.12 0.00 0.00 29.99 30.77 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 -0.14 0.74 0.17 0.00 3.08 -1.86 0.16 114.38 116.54 1l8c h ARG 41 Ca 0.24 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1l8c h ARG 41 Cb 0.52 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1l8c h ARG 41 CO -0.63 0.49 -0.10 1.15 -1.07 0.00 0.00 179.97 179.81 1l8c h THR 42 N 0.76 0.78 -0.55 2.04 2.02 -1.58 -1.71 112.91 114.67 1l8c h THR 42 Ca 0.49 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.65 1l8c h THR 42 Cb 0.63 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1l8c h THR 42 CO -0.33 0.00 0.26 0.24 0.37 0.00 0.00 175.52 176.06 1l8c h MET 43 N -0.26 0.77 -0.67 6.66 2.86 -0.75 -1.97 114.93 121.56 1l8c h MET 43 Ca -0.02 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1l8c h MET 43 Cb 0.22 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1l8c h MET 43 CO 0.02 0.60 0.42 0.87 1.06 0.00 0.00 176.91 179.87 1l8c h LYS 44 N 0.77 0.90 -0.27 1.72 1.57 -0.44 0.19 116.57 121.01 1l8c h LYS 44 Ca 0.19 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1l8c h LYS 44 Cb 0.08 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1l8c h LYS 44 CO -0.03 0.63 0.16 -0.91 -0.57 0.00 0.00 179.45 178.74 1l8c h ASN 45 N 0.91 0.32 -0.27 0.86 2.35 -0.96 -1.48 115.58 117.32 1l8c h ASN 45 Ca 0.24 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.97 1l8c h ASN 45 Cb -0.05 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1l8c h ASN 45 CO -0.05 0.28 0.09 0.58 -1.65 0.00 0.00 177.43 176.69 1l8c h VAL 46 N 0.34 0.93 -0.24 2.81 2.07 -1.05 -1.95 116.25 119.16 1l8c h VAL 46 Ca 0.10 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.60 1l8c h VAL 46 Cb 0.02 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 1l8c h VAL 46 CO -0.02 0.04 -0.20 0.25 0.02 0.00 0.00 177.57 177.66 1l8c h LEU 47 N 0.22 -0.66 -0.34 2.57 7.12 -0.44 -0.17 115.31 123.60 1l8c h LEU 47 Ca 0.12 0.13 0.05 0.00 0.13 0.00 0.00 57.88 58.30 1l8c h LEU 47 Cb 0.08 0.32 -0.05 0.00 -0.53 0.00 0.00 40.66 40.49 1l8c h LEU 47 CO -0.12 -0.24 0.07 -1.13 -0.13 0.00 0.00 178.44 176.88 1l8c h ASN 48 N -0.20 0.01 0.14 1.25 -1.24 -1.13 -2.96 115.58 111.45 1l8c h ASN 48 Ca 0.14 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.20 1l8c h ASN 48 Cb 0.41 0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.53 1l8c h ASN 48 CO -0.36 0.04 -0.10 -0.74 -1.29 0.00 0.00 177.43 174.98 1l8c h HIS 49 N 0.18 -0.25 -0.74 0.67 2.76 -0.79 -3.21 115.15 113.78 1l8c h HIS 49 Ca 0.16 -0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.49 1l8c h HIS 49 Cb 0.18 0.09 -0.13 0.00 1.55 0.00 0.00 27.41 29.10 1l8c h HIS 49 CO -0.19 -0.15 -0.06 0.52 -1.30 0.00 0.00 177.93 176.75 1l8c h MET 50 N -0.24 0.06 -0.76 5.26 2.86 -0.88 0.28 114.93 121.51 1l8c h MET 50 Ca -0.01 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1l8c h MET 50 Cb 0.21 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1l8c h MET 50 CO 0.00 0.04 0.34 1.79 1.06 0.00 0.00 176.91 180.14 1l8c h THR 51 N 0.06 1.25 0.02 2.22 1.35 -1.55 -3.29 112.91 112.97 1l8c h THR 51 Ca 0.39 -0.74 -0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1l8c h THR 51 Cb 0.65 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 1l8c h THR 51 CO -0.69 0.31 -0.01 0.45 -0.25 0.00 0.00 175.52 175.32 1l8c h HIS 52 N 1.09 -0.03 -3.96 4.73 3.86 -1.36 -3.46 115.15 116.03 1l8c h HIS 52 Ca 0.26 -0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.94 1l8c h HIS 52 Cb 0.17 0.01 0.10 0.00 1.06 0.00 0.00 27.41 28.74 1l8c h HIS 52 CO 0.01 0.69 0.66 0.00 0.86 0.00 0.00 177.93 180.15 1l8c n GLN 54 N 0.10 -0.33 -0.08 0.00 1.13 -1.26 -4.85 117.38 112.09 1l8c n GLN 54 Ca 0.04 -0.31 -0.10 0.00 -1.94 0.00 0.00 57.00 54.69 1l8c n GLN 54 Cb 0.42 -0.75 0.04 0.00 0.11 0.00 0.00 30.24 30.07 1l8c n GLN 54 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1l8c h ALA 55 N 0.00 0.73 -0.77 -1.58 0.00 -1.97 -3.47 119.26 112.20 1l8c h ALA 55 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1l8c h ALA 55 Cb 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1l8c h ALA 55 CO 0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1l8c n GLY 56 N -0.01 0.36 0.30 0.00 0.00 -1.26 -2.13 105.19 102.45 1l8c n GLY 56 Ca -0.01 0.68 0.03 0.00 0.00 0.00 0.00 46.02 46.72 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 0.70 0.00 1.61 1.79 -1.95 -2.62 116.57 116.09 1l8c h LYS 57 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1l8c h LYS 57 Cb 0.00 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 1l8c h LYS 57 CO 0.00 0.46 0.00 0.00 -1.08 0.00 0.00 179.45 178.83 1l8c h ALA 58 N 1.47 1.00 -2.26 3.86 0.00 -1.83 -3.46 119.26 118.04 1l8c h ALA 58 Ca 0.40 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.76 1l8c h ALA 58 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1l8c h ALA 58 CO -0.27 0.00 1.07 0.00 0.00 0.00 0.00 179.25 180.05 1l8c h GLN 60 N 9.39 0.00 -6.29 0.00 4.20 -1.88 -3.42 115.11 117.10 1l8c h GLN 60 Ca -0.38 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 57.78 1l8c h GLN 60 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1l8c h GLN 60 CO 0.95 0.21 1.15 0.08 -0.67 0.00 0.00 178.83 180.56 1l8c s VAL 61 N -3.89 3.36 0.18 -0.54 1.01 -1.26 -4.92 120.40 114.34 1l8c s VAL 61 Ca -0.01 0.43 -0.21 0.00 0.00 0.00 0.00 61.98 62.20 1l8c s VAL 61 Cb 0.12 -3.28 0.11 0.00 0.00 0.00 0.00 36.38 33.32 1l8c s VAL 61 CO 0.63 -0.04 1.60 0.00 0.00 0.00 0.00 175.10 177.28 1l8c h ALA 62 N 10.07 -0.03 0.07 5.51 0.00 -2.00 -2.53 119.26 130.35 1l8c h ALA 62 Ca -0.43 0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1l8c h ALA 62 Cb 1.20 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 1l8c h ALA 62 CO 0.95 -0.65 -0.25 0.45 0.00 0.00 0.00 179.25 179.75 1l8c h HIS 63 N -0.18 -0.66 0.19 0.00 3.86 -1.97 -1.56 115.15 114.83 1l8c h HIS 63 Ca 0.21 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.45 1l8c h HIS 63 Cb 0.52 0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.24 1l8c h HIS 63 CO -0.55 -0.34 -0.31 0.00 0.86 0.00 0.00 177.93 177.59 1l8c h ALA 65 N 0.06 0.83 0.29 0.00 0.00 -1.41 -2.72 119.26 116.31 1l8c h ALA 65 Ca 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1l8c h ALA 65 Cb 0.57 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1l8c h ALA 65 CO -0.14 -0.24 -0.14 0.77 0.00 0.00 0.00 179.25 179.50 1l8c h SER 66 N 0.36 -0.33 -0.75 0.00 0.02 -1.05 -3.31 113.55 108.49 1l8c h SER 66 Ca 0.34 -0.20 0.13 0.00 -0.84 0.00 0.00 61.79 61.22 1l8c h SER 66 Cb 0.48 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.01 1l8c h SER 66 CO -0.37 0.13 0.33 0.77 -1.14 0.00 0.00 176.83 176.55 1l8c h SER 67 N -0.91 0.36 -0.39 3.07 4.64 -0.80 -1.48 113.55 118.04 1l8c h SER 67 Ca -0.04 0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.40 1l8c h SER 67 Cb 0.51 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 1l8c h SER 67 CO 0.07 0.16 0.21 0.03 -0.87 0.00 0.00 176.83 176.42 1l8c h ARG 68 N 0.51 0.41 0.34 4.77 3.08 -1.64 -2.71 114.38 119.15 1l8c h ARG 68 Ca 0.40 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.42 1l8c h ARG 68 Cb 0.56 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1l8c h ARG 68 CO -0.36 0.27 -0.30 0.37 -1.07 0.00 0.00 179.97 178.88 1l8c h GLN 69 N 0.42 -0.64 -0.49 0.04 -0.00 -1.39 -0.74 115.11 112.33 1l8c h GLN 69 Ca 0.16 0.04 0.07 0.00 -0.00 0.00 0.00 58.65 58.93 1l8c h GLN 69 Cb 0.05 0.14 -0.06 0.00 0.00 0.00 0.00 27.48 27.62 1l8c h GLN 69 CO -0.10 -0.42 0.15 -0.84 0.00 0.00 0.00 178.83 177.61 1l8c h ILE 70 N -0.66 0.80 -0.58 2.39 3.07 -1.27 -0.27 117.51 120.99 1l8c h ILE 70 Ca -0.02 -0.11 -0.10 0.00 1.55 0.00 0.00 64.86 66.18 1l8c h ILE 70 Cb 0.59 0.47 -0.02 0.00 -0.27 0.00 0.00 36.82 37.58 1l8c h ILE 70 CO -0.03 0.06 -0.02 0.40 -1.05 0.00 0.00 178.15 177.50 1l8c h ILE 71 N 0.31 1.27 -0.39 0.16 1.08 -1.44 -1.63 117.51 116.86 1l8c h ILE 71 Ca 0.24 -1.17 0.06 0.00 -0.39 0.00 0.00 64.86 63.60 1l8c h ILE 71 Cb 0.27 0.85 -0.05 0.00 -3.07 0.00 0.00 36.82 34.82 1l8c h ILE 71 CO -0.26 0.42 0.07 0.28 -0.69 0.00 0.00 178.15 177.97 1l8c h SER 72 N 0.93 -0.01 0.58 1.72 0.02 -0.62 -0.84 113.55 115.33 1l8c h SER 72 Ca 0.16 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1l8c h SER 72 Cb 0.58 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 1l8c h SER 72 CO 0.03 0.03 -0.35 -0.74 -1.14 0.00 0.00 176.83 174.67 1l8c h HIS 73 N 0.19 -0.92 -0.77 3.45 -0.00 -0.87 -2.28 115.15 113.96 1l8c h HIS 73 Ca 0.19 -0.01 0.15 0.00 -0.00 0.00 0.00 60.37 60.70 1l8c h HIS 73 Cb 0.23 0.33 -0.10 0.00 -0.00 0.00 0.00 27.41 27.87 1l8c h HIS 73 CO -0.20 -0.52 0.30 2.35 -0.00 0.00 0.00 177.93 179.85 1l8c h TRP 74 N -0.86 0.51 0.15 5.26 7.01 -1.15 0.10 115.95 126.96 1l8c h TRP 74 Ca -0.08 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 60.96 1l8c h TRP 74 Cb 0.69 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.64 1l8c h TRP 74 CO -0.03 0.04 -0.09 -0.22 -2.79 0.00 0.00 178.44 175.35 1l8c h LYS 75 N 0.42 -0.22 -0.15 2.65 1.63 -1.15 -3.28 116.57 116.47 1l8c h LYS 75 Ca 0.43 0.02 -0.18 0.00 -0.85 0.00 0.00 60.65 60.06 1l8c h LYS 75 Cb 0.68 0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.37 1l8c h LYS 75 CO -0.43 -0.15 -0.62 -0.91 -3.45 0.00 0.00 179.45 173.89 1l8c h ASN 76 N -0.23 0.80 -2.08 4.20 2.35 -0.90 -3.46 115.58 116.27 1l8c h ASN 76 Ca -0.01 -0.62 -0.61 0.00 -0.55 0.00 0.00 56.30 54.51 1l8c h ASN 76 Cb 0.20 -0.24 0.02 0.00 0.05 0.00 0.00 38.32 38.35 1l8c h ASN 76 CO 0.01 1.29 1.06 0.00 -1.65 0.00 0.00 177.43 178.14 1l8c n THR 78 N 4.90 0.54 -1.93 0.00 5.66 -1.26 -4.95 114.28 117.24 1l8c n THR 78 Ca 0.22 -0.94 -0.37 0.00 -3.05 0.00 0.00 64.05 59.91 1l8c n THR 78 Cb 0.30 0.41 0.04 0.00 -1.55 0.00 0.00 70.33 69.53 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 -0.82 2.93 0.15 1.09 3.52 -1.26 -4.97 118.95 119.58 1l8c s ARG 79 Ca 0.17 1.93 -0.26 0.00 -0.13 0.00 0.00 55.73 57.44 1l8c s ARG 79 Cb 0.17 -1.97 -0.00 0.00 -1.56 0.00 0.00 34.95 31.59 1l8c s ARG 79 CO -0.04 -1.27 1.59 1.25 -0.81 0.00 0.00 175.30 176.02 1l8c h HIS 80 N 0.93 -1.08 -2.85 5.12 -0.00 -2.05 -3.42 115.15 111.81 1l8c h HIS 80 Ca -0.51 0.05 -0.19 0.00 -0.00 0.00 0.00 60.37 59.73 1l8c h HIS 80 Cb 1.31 0.51 -0.31 0.00 -0.00 0.00 0.00 27.41 28.92 1l8c h HIS 80 CO 0.45 -0.43 -0.48 0.16 -0.00 0.00 0.00 177.93 177.63 1l8c s ASP 81 N -4.99 0.05 0.01 3.26 -4.77 -1.26 -4.95 116.67 104.03 1l8c s ASP 81 Ca -0.15 0.64 0.06 0.00 -3.30 0.00 0.00 52.55 49.80 1l8c s ASP 81 Cb 0.11 0.69 -0.02 0.00 -1.09 0.00 0.00 42.92 42.62 1l8c s ASP 81 CO 0.66 -0.21 -0.19 0.00 0.70 0.00 0.00 175.17 176.13 1l8c n PRO 83 N 2.23 0.04 0.03 0.00 -0.04 -1.26 -3.05 135.00 132.96 1l8c n PRO 83 Ca -0.16 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1l8c n PRO 83 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.23 0.08 -0.07 0.52 0.31 -1.26 -4.86 118.33 111.82 1l8c n VAL 84 Ca 0.01 0.03 -0.07 0.00 -0.01 0.00 0.00 64.34 64.30 1l8c n VAL 84 Cb 0.02 -0.78 -0.01 0.00 -0.91 0.00 0.00 33.84 32.16 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 -0.17 -1.16 -1.42 0.00 7.12 -1.88 0.20 115.31 118.00 1l8c h LEU 86 Ca 0.15 0.10 0.05 0.00 0.13 0.00 0.00 57.88 58.31 1l8c h LEU 86 Cb 0.40 0.39 -0.04 0.00 -0.53 0.00 0.00 40.66 40.88 1l8c h LEU 86 CO -0.38 -0.54 0.44 1.55 -0.13 0.00 0.00 178.44 179.37 1l8c h PRO 87 N -0.81 0.71 -0.06 5.25 0.13 -1.75 -0.28 132.00 135.19 1l8c h PRO 87 Ca -0.05 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1l8c h PRO 87 Cb 0.71 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 1l8c h PRO 87 CO -0.07 0.47 0.02 -0.07 -0.23 0.00 0.00 178.00 178.11 1l8c h LEU 88 N 0.73 0.10 0.39 1.56 3.38 -1.27 -2.71 115.31 117.48 1l8c h LEU 88 Ca 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1l8c h LEU 88 Cb 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1l8c h LEU 88 CO -0.08 0.30 -0.19 0.50 0.09 0.00 0.00 178.44 179.06 1l8c h LYS 89 N -0.11 -0.50 -3.61 1.13 3.64 -0.57 -3.38 116.57 113.18 1l8c h LYS 89 Ca 0.02 0.03 -0.66 0.00 -1.27 0.00 0.00 60.65 58.78 1l8c h LYS 89 Cb 0.24 0.11 -0.39 0.00 -0.41 0.00 0.00 32.23 31.78 1l8c h LYS 89 CO 0.00 -0.31 -0.57 1.21 -2.27 0.00 0.00 179.45 177.51 1l8c s ASN 90 N -4.77 4.62 -0.03 4.20 2.47 -0.15 -5.09 114.94 116.19 1l8c s ASN 90 Ca -0.16 -2.86 -0.30 0.00 0.42 0.00 0.00 52.86 49.97 1l8c s ASN 90 Cb 0.04 -1.70 -0.07 0.00 -1.45 0.00 0.00 41.25 38.07 1l8c s ASN 90 CO 0.63 -0.29 1.86 0.00 -3.72 0.00 0.00 177.10 175.58 1l8c s ALA 91 N -0.07 3.50 0.17 1.71 0.00 -1.02 -4.37 121.76 121.69 1l8c s ALA 91 Ca 0.16 1.09 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 1l8c s ALA 91 Cb -0.24 -3.83 0.11 0.00 0.00 0.00 0.00 23.12 19.17 1l8c s ALA 91 CO -0.02 -1.64 1.75 0.77 0.00 0.00 0.00 175.76 176.63 1l8c h SER 92 N 10.61 0.18 -3.11 0.00 0.02 -1.94 -3.39 113.55 115.92 1l8c h SER 92 Ca -0.44 0.05 -0.57 0.00 -0.84 0.00 0.00 61.79 59.99 1l8c h SER 92 Cb 1.21 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.74 1l8c h SER 92 CO 0.95 0.14 0.72 -0.62 -1.14 0.00 0.00 176.83 176.88 1l8c s ASP 93 N -5.39 7.11 0.04 3.07 2.15 -1.26 -5.05 116.67 117.35 1l8c s ASP 93 Ca -0.13 1.57 0.02 0.00 0.43 0.00 0.00 52.55 54.43 1l8c s ASP 93 Cb 0.13 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.18 1l8c s ASP 93 CO 0.72 -0.60 -0.07 -0.54 -0.17 0.00 0.00 175.17 174.52 1l8c s LYS 94 N 2.68 0.52 0.00 4.34 1.02 -1.26 -5.20 119.74 121.84 1l8c s LYS 94 Ca 0.50 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1l8c s LYS 94 Cb -0.19 -0.21 0.00 0.00 -0.52 0.00 0.00 37.83 36.91 1l8c s LYS 94 CO 0.14 0.02 0.10 0.54 -0.92 0.00 0.00 175.35 175.24