#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 -0.22 0.30 0.00 -1.08 -1.26 -5.07 116.67 109.34 1l8c s ASP 2 Ca 0.00 0.41 0.01 0.00 -0.52 0.00 0.00 52.55 52.45 1l8c s ASP 2 Cb 0.00 0.44 0.55 0.00 -1.46 0.00 0.00 42.92 42.45 1l8c s ASP 2 CO 0.00 -0.10 1.91 1.55 0.52 0.00 0.00 175.17 179.04 1l8c h PRO 3 N 5.67 0.98 -0.39 4.34 0.13 -2.06 -1.67 132.00 139.00 1l8c h PRO 3 Ca -0.26 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 1l8c h PRO 3 Cb 1.19 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1l8c h PRO 3 CO 0.37 0.65 0.12 1.49 -0.23 0.00 0.00 178.00 180.40 1l8c h GLU 4 N 1.01 0.61 -0.58 0.86 4.81 -1.99 -1.52 114.58 117.78 1l8c h GLU 4 Ca 0.40 -0.13 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1l8c h GLU 4 Cb 0.24 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1l8c h GLU 4 CO -0.15 0.61 0.38 0.87 -0.73 0.00 0.00 179.01 179.99 1l8c h LYS 5 N 0.48 0.59 -0.26 1.92 1.57 -1.86 -1.28 116.57 117.73 1l8c h LYS 5 Ca 0.13 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1l8c h LYS 5 Cb 0.26 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1l8c h LYS 5 CO -0.00 0.39 0.06 0.00 -0.57 0.00 0.00 179.45 179.33 1l8c h ARG 6 N 0.61 0.42 -0.31 3.15 3.08 -0.77 -1.13 114.38 119.43 1l8c h ARG 6 Ca 0.24 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.25 1l8c h ARG 6 Cb 0.19 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.11 1l8c h ARG 6 CO -0.07 0.52 -0.14 0.87 -1.07 0.00 0.00 179.97 180.09 1l8c h LYS 7 N 0.25 -0.08 -0.11 0.04 1.57 -0.42 0.51 116.57 118.32 1l8c h LYS 7 Ca 0.08 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1l8c h LYS 7 Cb 0.29 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1l8c h LYS 7 CO 0.00 -0.05 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.66 1l8c h LEU 8 N -0.08 -0.30 0.20 2.94 3.38 -1.15 -1.03 115.31 119.27 1l8c h LEU 8 Ca 0.16 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1l8c h LEU 8 Cb 0.32 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1l8c h LEU 8 CO -0.37 -0.13 -0.16 0.40 0.09 0.00 0.00 178.44 178.28 1l8c h ILE 9 N -0.11 0.66 -0.33 1.22 2.04 -0.88 -1.45 117.51 118.66 1l8c h ILE 9 Ca 0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.01 1l8c h ILE 9 Cb 0.22 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 36.88 1l8c h ILE 9 CO -0.18 0.00 -0.31 1.56 0.00 0.00 0.00 178.15 179.22 1l8c h GLN 10 N -0.37 -0.27 0.35 2.37 4.20 -0.74 -0.06 115.11 120.60 1l8c h GLN 10 Ca -0.01 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1l8c h GLN 10 Cb 0.33 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1l8c h GLN 10 CO -0.01 -0.18 -0.51 0.37 -0.67 0.00 0.00 178.83 177.83 1l8c h GLN 11 N -0.28 -0.87 -0.95 1.46 4.15 -1.09 -2.57 115.11 114.95 1l8c h GLN 11 Ca 0.15 0.06 0.11 0.00 0.77 0.00 0.00 58.65 59.75 1l8c h GLN 11 Cb 0.53 0.20 -0.08 0.00 0.21 0.00 0.00 27.48 28.34 1l8c h GLN 11 CO -0.49 -0.58 0.61 1.96 -1.93 0.00 0.00 178.83 178.40 1l8c h GLN 12 N -0.91 0.90 0.05 1.69 4.20 -0.96 -0.43 115.11 119.65 1l8c h GLN 12 Ca -0.04 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.64 1l8c h GLN 12 Cb 0.83 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 1l8c h GLN 12 CO -0.15 0.59 -0.23 1.25 -0.67 0.00 0.00 178.83 179.62 1l8c h LEU 13 N 0.92 -0.67 -0.26 1.46 6.46 -0.76 0.23 115.31 122.69 1l8c h LEU 13 Ca 0.46 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 58.28 1l8c h LEU 13 Cb 0.49 0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1l8c h LEU 13 CO -0.22 -0.31 0.07 0.58 -0.62 0.00 0.00 178.44 177.94 1l8c h VAL 14 N -0.39 1.21 -0.36 1.05 2.07 -1.05 -2.40 116.25 116.37 1l8c h VAL 14 Ca 0.05 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 66.97 1l8c h VAL 14 Cb 0.45 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1l8c h VAL 14 CO -0.17 0.22 -0.03 -0.07 0.02 0.00 0.00 177.57 177.54 1l8c h LEU 15 N 0.25 -0.20 -0.41 2.57 3.38 -0.90 -1.37 115.31 118.63 1l8c h LEU 15 Ca 0.08 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1l8c h LEU 15 Cb 0.26 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1l8c h LEU 15 CO -0.00 -0.06 0.19 0.25 0.09 0.00 0.00 178.44 178.90 1l8c h LEU 16 N 0.07 0.54 -0.30 1.67 5.85 -0.87 0.77 115.31 123.03 1l8c h LEU 16 Ca 0.18 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1l8c h LEU 16 Cb 0.25 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1l8c h LEU 16 CO -0.32 0.53 0.14 -0.07 -0.34 0.00 0.00 178.44 178.38 1l8c h LEU 17 N 0.51 0.20 -0.20 2.25 4.07 -1.25 -2.60 115.31 118.30 1l8c h LEU 17 Ca 0.14 0.02 0.03 0.00 0.08 0.00 0.00 57.88 58.14 1l8c h LEU 17 Cb 0.14 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.83 1l8c h LEU 17 CO -0.02 0.15 0.03 -0.74 -1.08 0.00 0.00 178.44 176.78 1l8c h HIS 18 N 0.30 0.04 -0.73 1.13 -0.00 -1.03 -3.08 115.15 111.77 1l8c h HIS 18 Ca 0.13 0.01 0.14 0.00 -0.00 0.00 0.00 60.37 60.65 1l8c h HIS 18 Cb 0.06 0.01 -0.14 0.00 -0.00 0.00 0.00 27.41 27.34 1l8c h HIS 18 CO -0.11 0.00 -0.22 0.00 -0.00 0.00 0.00 177.93 177.61 1l8c h ALA 19 N 1.15 0.39 -0.13 5.26 0.00 -0.46 0.23 119.26 125.70 1l8c h ALA 19 Ca 0.09 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1l8c h ALA 19 Cb 0.09 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1l8c h ALA 19 CO -0.13 -0.46 0.06 1.25 0.00 0.00 0.00 179.25 179.96 1l8c h HIS 20 N -0.03 0.20 -0.80 0.00 6.17 -1.51 -2.27 115.15 116.91 1l8c h HIS 20 Ca 0.34 -0.01 0.08 0.00 0.71 0.00 0.00 60.37 61.49 1l8c h HIS 20 Cb 0.55 -0.06 -0.07 0.00 2.52 0.00 0.00 27.41 30.35 1l8c h HIS 20 CO -0.62 0.26 0.46 0.87 0.71 0.00 0.00 177.93 179.62 1l8c h LYS 21 N 0.07 0.77 0.04 5.26 6.56 -1.12 -0.31 116.57 127.84 1l8c h LYS 21 Ca 0.04 -0.05 0.03 0.00 -1.06 0.00 0.00 60.65 59.62 1l8c h LYS 21 Cb 0.15 -0.17 -0.04 0.00 -0.57 0.00 0.00 32.23 31.59 1l8c h LYS 21 CO -0.00 0.51 -0.28 0.00 -2.06 0.00 0.00 179.45 177.62 1l8c h GLN 23 N -0.45 -0.48 -0.40 0.00 4.20 -1.12 -1.59 115.11 115.27 1l8c h GLN 23 Ca 0.05 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.88 1l8c h GLN 23 Cb 0.51 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 28.31 1l8c h GLN 23 CO -0.22 -0.32 -0.26 -0.09 -0.67 0.00 0.00 178.83 177.28 1l8c h ARG 24 N -0.50 -0.18 0.53 1.46 2.43 -0.80 -0.47 114.38 116.84 1l8c h ARG 24 Ca 0.00 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1l8c h ARG 24 Cb 0.47 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1l8c h ARG 24 CO -0.07 -0.12 -0.37 -0.09 -1.51 0.00 0.00 179.97 177.81 1l8c h ARG 25 N -0.19 -0.84 -0.54 0.20 1.12 -0.73 -1.57 114.38 111.83 1l8c h ARG 25 Ca 0.19 0.06 0.09 0.00 -1.11 0.00 0.00 59.98 59.21 1l8c h ARG 25 Cb 0.49 0.19 -0.07 0.00 -0.01 0.00 0.00 29.97 30.56 1l8c h ARG 25 CO -0.51 -0.56 0.12 1.49 -3.11 0.00 0.00 179.97 177.40 1l8c h GLU 26 N -0.87 0.26 -0.21 0.20 4.57 -1.02 0.32 114.58 117.83 1l8c h GLU 26 Ca -0.06 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1l8c h GLU 26 Cb 0.72 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1l8c h GLU 26 CO 0.03 0.17 0.13 1.96 -1.18 0.00 0.00 179.01 180.13 1l8c h GLN 27 N 0.26 0.27 0.13 1.92 4.20 -1.02 -3.01 115.11 117.87 1l8c h GLN 27 Ca 0.27 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1l8c h GLN 27 Cb 0.37 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1l8c h GLN 27 CO -0.34 0.18 -0.06 0.00 -0.67 0.00 0.00 178.83 177.93 1l8c h ALA 28 N 1.08 -0.18 -2.77 3.87 0.00 -0.79 -3.44 119.26 117.03 1l8c h ALA 28 Ca 0.08 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1l8c h ALA 28 Cb -0.03 0.07 -0.32 0.00 0.00 0.00 0.00 17.79 17.51 1l8c h ALA 28 CO -0.02 -0.55 -0.52 1.21 0.00 0.00 0.00 179.25 179.37 1l8c s ASN 29 N -5.12 0.38 0.62 0.00 3.84 0.06 -5.10 114.94 109.61 1l8c s ASN 29 Ca -0.14 0.55 -0.16 0.00 0.21 0.00 0.00 52.86 53.31 1l8c s ASN 29 Cb 0.05 0.74 -0.02 0.00 -0.55 0.00 0.00 41.25 41.47 1l8c s ASN 29 CO 0.65 -0.25 1.11 -0.83 -2.79 0.00 0.00 177.10 174.99 1l8c s GLY 30 N 2.43 2.30 0.04 1.21 0.00 -1.14 -4.01 107.32 108.16 1l8c s GLY 30 Ca 0.02 0.62 -0.01 0.00 0.00 0.00 0.00 44.72 45.35 1l8c s GLY 30 CO -0.09 0.98 -0.01 1.85 0.00 0.00 0.00 173.10 175.82 1l8c s GLU 31 N -3.84 0.53 0.09 2.90 2.56 -1.26 -5.06 118.70 114.61 1l8c s GLU 31 Ca 0.69 -0.99 -0.27 0.00 0.00 0.00 0.00 54.97 54.39 1l8c s GLU 31 Cb -0.21 0.19 -0.15 0.00 2.00 0.00 0.00 34.13 35.95 1l8c s GLU 31 CO 0.37 -0.10 1.68 0.28 -0.56 0.00 0.00 175.26 176.93 1l8c h VAL 32 N 3.63 0.67 -1.47 3.70 2.07 -2.04 -3.41 116.25 119.39 1l8c h VAL 32 Ca -0.33 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 1l8c h VAL 32 Cb 1.17 0.67 -0.26 0.00 -1.52 0.00 0.00 31.29 31.35 1l8c h VAL 32 CO 0.57 0.00 -0.51 -0.60 0.02 0.00 0.00 177.57 177.05 1l8c s ARG 33 N -6.13 0.55 -0.14 1.57 3.52 -1.26 -5.05 118.95 112.01 1l8c s ARG 33 Ca -0.15 -0.00 -0.24 0.00 -0.13 0.00 0.00 55.73 55.20 1l8c s ARG 33 Cb 0.05 -0.18 -0.22 0.00 -1.56 0.00 0.00 34.95 33.04 1l8c s ARG 33 CO 0.65 -1.09 0.63 0.00 -0.81 0.00 0.00 175.30 174.68 1l8c h ALA 34 N 7.76 0.01 -2.86 6.12 0.00 -1.99 -3.47 119.26 124.83 1l8c h ALA 34 Ca -0.03 -0.45 -0.52 0.00 0.00 0.00 0.00 54.91 53.91 1l8c h ALA 34 Cb 1.13 0.03 0.06 0.00 0.00 0.00 0.00 17.79 19.02 1l8c h ALA 34 CO 0.20 0.03 0.65 0.00 0.00 0.00 0.00 179.25 180.13 1l8c n SER 36 N 1.06 0.98 -3.87 0.00 7.64 -1.26 -5.03 113.62 113.14 1l8c n SER 36 Ca 0.01 -2.47 -0.30 0.00 1.01 0.00 0.00 58.87 57.12 1l8c n SER 36 Cb 0.42 -0.32 -0.16 0.00 -1.01 0.00 0.00 64.21 63.14 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 -0.95 2.44 0.22 -3.43 1.43 -1.26 -5.06 118.68 112.07 1l8c s LEU 37 Ca 0.23 -1.28 -0.14 0.00 -1.03 0.00 0.00 54.13 51.92 1l8c s LEU 37 Cb 0.24 -1.05 0.26 0.00 0.03 0.00 0.00 46.19 45.66 1l8c s LEU 37 CO -0.07 -0.29 1.61 -0.65 0.23 0.00 0.00 176.35 177.18 1l8c h PRO 38 N 8.00 -0.02 0.00 1.29 0.11 -2.05 -1.52 132.00 137.81 1l8c h PRO 38 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1l8c h PRO 38 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1l8c h PRO 38 CO 0.42 -0.01 0.00 0.72 -0.21 0.00 0.00 178.00 178.91 1l8c n HIS 39 N -5.46 0.00 -0.30 0.65 8.25 -1.26 -3.45 115.22 113.65 1l8c n HIS 39 Ca 0.08 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.53 1l8c n HIS 39 Cb 0.36 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.58 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 1.02 0.03 0.37 0.00 2.43 -1.75 0.22 114.38 116.71 1l8c h ARG 41 Ca 0.34 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1l8c h ARG 41 Cb 0.03 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1l8c h ARG 41 CO -0.12 0.02 -0.39 1.15 -1.51 0.00 0.00 179.97 179.11 1l8c h THR 42 N 0.03 0.20 -0.69 0.20 2.02 -1.58 -2.31 112.91 110.77 1l8c h THR 42 Ca 0.25 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.48 1l8c h THR 42 Cb 0.39 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 1l8c h THR 42 CO -0.51 0.00 0.42 0.24 0.37 0.00 0.00 175.52 176.04 1l8c h MET 43 N -0.80 0.77 -0.50 6.66 2.86 -0.58 -1.78 114.93 121.56 1l8c h MET 43 Ca -0.03 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1l8c h MET 43 Cb 0.72 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1l8c h MET 43 CO -0.08 0.51 0.32 0.87 1.06 0.00 0.00 176.91 179.60 1l8c h LYS 44 N 0.79 0.64 -0.01 1.72 1.57 -0.50 0.25 116.57 121.03 1l8c h LYS 44 Ca 0.29 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1l8c h LYS 44 Cb 0.09 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1l8c h LYS 44 CO -0.14 0.42 0.01 -0.91 -0.57 0.00 0.00 179.45 178.26 1l8c h ASN 45 N 0.66 0.01 -0.19 0.86 2.35 -1.23 -1.81 115.58 116.23 1l8c h ASN 45 Ca 0.19 -0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.92 1l8c h ASN 45 Cb -0.05 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1l8c h ASN 45 CO -0.06 0.07 -0.03 0.58 -1.65 0.00 0.00 177.43 176.34 1l8c h VAL 46 N -0.04 0.83 0.11 2.81 2.07 -1.07 -1.99 116.25 118.96 1l8c h VAL 46 Ca 0.00 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1l8c h VAL 46 Cb 0.06 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1l8c h VAL 46 CO -0.00 0.00 -0.46 0.25 0.02 0.00 0.00 177.57 177.38 1l8c h LEU 47 N 0.02 -1.38 -0.52 2.57 7.12 -0.46 0.19 115.31 122.85 1l8c h LEU 47 Ca 0.09 0.15 0.10 0.00 0.13 0.00 0.00 57.88 58.35 1l8c h LEU 47 Cb 0.13 0.52 -0.09 0.00 -0.53 0.00 0.00 40.66 40.69 1l8c h LEU 47 CO -0.18 -0.52 -0.03 -1.13 -0.13 0.00 0.00 178.44 176.45 1l8c h ASN 48 N -0.69 -0.28 0.39 1.25 -1.24 -1.21 -2.27 115.58 111.54 1l8c h ASN 48 Ca 0.01 0.13 -0.02 0.00 0.71 0.00 0.00 56.30 57.14 1l8c h ASN 48 Cb 0.71 0.24 0.00 0.00 0.73 0.00 0.00 38.32 40.01 1l8c h ASN 48 CO -0.27 -0.10 -0.19 -0.74 -1.29 0.00 0.00 177.43 174.84 1l8c h HIS 49 N 0.09 -0.49 -0.36 0.67 2.76 -1.01 -3.17 115.15 113.64 1l8c h HIS 49 Ca 0.26 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.52 1l8c h HIS 49 Cb 0.40 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1l8c h HIS 49 CO -0.35 -0.27 0.26 0.00 -1.30 0.00 0.00 177.93 176.28 1l8c h MET 50 N -0.59 0.00 -0.62 5.26 -0.00 -0.57 0.36 114.93 118.77 1l8c h MET 50 Ca -0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.56 1l8c h MET 50 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.02 1l8c h MET 50 CO 0.09 0.00 0.06 1.79 -0.00 0.00 0.00 176.91 178.85 1l8c h THR 51 N 0.00 1.26 0.03 -0.10 1.35 -1.39 -3.31 112.91 110.75 1l8c h THR 51 Ca 0.17 -1.06 -0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1l8c h THR 51 Cb 0.69 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1l8c h THR 51 CO -0.00 0.39 -0.01 0.45 -0.25 0.00 0.00 175.52 176.10 1l8c h HIS 52 N 0.96 -0.03 -3.04 4.73 3.86 -1.30 -3.46 115.15 116.87 1l8c h HIS 52 Ca 0.19 -0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.84 1l8c h HIS 52 Cb 0.47 0.01 0.09 0.00 1.06 0.00 0.00 27.41 29.04 1l8c h HIS 52 CO 0.03 0.65 0.74 0.00 0.86 0.00 0.00 177.93 180.22 1l8c n GLN 54 N 1.95 0.28 0.00 0.00 1.13 -1.26 -4.82 117.38 114.67 1l8c n GLN 54 Ca 0.09 -0.84 0.00 0.00 -1.94 0.00 0.00 57.00 54.31 1l8c n GLN 54 Cb 0.34 -1.11 0.00 0.00 0.11 0.00 0.00 30.24 29.59 1l8c n GLN 54 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1l8c n ALA 55 N 0.28 0.00 0.00 -1.58 0.00 -1.26 -4.95 120.51 113.00 1l8c n ALA 55 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1l8c n ALA 55 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 2.25 1.33 0.10 0.00 0.00 -1.26 -4.34 105.19 103.27 1l8c n GLY 56 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.02 0.00 1.61 1.79 -1.93 -3.21 116.57 114.85 1l8c h LYS 57 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1l8c h LYS 57 Cb 0.00 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1l8c h LYS 57 CO 0.00 0.01 -0.92 0.00 -1.08 0.00 0.00 179.45 177.46 1l8c n ALA 58 N -2.35 3.85 -1.84 3.86 0.00 -1.26 -4.97 120.51 117.79 1l8c n ALA 58 Ca -0.03 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 1l8c n ALA 58 Cb 0.11 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 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 5.76 0.51 -6.44 0.00 4.20 -1.93 -3.44 115.11 113.77 1l8c h GLN 60 Ca -0.45 -0.09 -0.53 0.00 0.06 0.00 0.00 58.65 57.64 1l8c h GLN 60 Cb 1.21 -0.09 0.02 0.00 0.30 0.00 0.00 27.48 28.93 1l8c h GLN 60 CO 0.85 0.50 1.02 0.08 -0.67 0.00 0.00 178.83 180.60 1l8c s VAL 61 N -5.08 3.05 0.06 -0.54 1.01 -1.26 -4.96 120.40 112.68 1l8c s VAL 61 Ca -0.08 0.47 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 1l8c s VAL 61 Cb 0.16 -3.30 -0.14 0.00 0.00 0.00 0.00 36.38 33.10 1l8c s VAL 61 CO 0.75 -0.01 1.43 0.00 0.00 0.00 0.00 175.10 177.28 1l8c h ALA 62 N 8.49 -1.10 -0.80 5.51 0.00 -1.99 -3.20 119.26 126.16 1l8c h ALA 62 Ca -0.43 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.46 1l8c h ALA 62 Cb 1.20 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 19.53 1l8c h ALA 62 CO 0.93 -1.11 0.53 0.45 0.00 0.00 0.00 179.25 180.05 1l8c h HIS 63 N -0.83 0.64 -0.58 0.00 3.86 -1.97 -2.76 115.15 113.50 1l8c h HIS 63 Ca -0.06 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.27 1l8c h HIS 63 Cb 0.70 -0.20 -0.07 0.00 1.06 0.00 0.00 27.41 28.90 1l8c h HIS 63 CO -0.18 0.25 0.18 0.00 0.86 0.00 0.00 177.93 179.05 1l8c h ALA 65 N 1.43 -0.57 0.14 0.00 0.00 -1.58 -3.21 119.26 115.47 1l8c h ALA 65 Ca 0.30 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1l8c h ALA 65 Cb 0.39 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1l8c h ALA 65 CO -0.33 -0.69 -0.36 0.77 0.00 0.00 0.00 179.25 178.64 1l8c h SER 66 N -0.82 -1.03 -0.99 0.00 0.02 -1.44 -2.58 113.55 106.71 1l8c h SER 66 Ca -0.06 0.11 0.15 0.00 -0.84 0.00 0.00 61.79 61.16 1l8c h SER 66 Cb 0.55 0.39 -0.09 0.00 0.14 0.00 0.00 62.40 63.38 1l8c h SER 66 CO 0.09 -0.45 0.62 0.77 -1.14 0.00 0.00 176.83 176.73 1l8c h SER 67 N -0.60 0.82 0.04 3.07 4.64 -1.01 -0.47 113.55 120.04 1l8c h SER 67 Ca 0.02 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1l8c h SER 67 Cb 0.62 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1l8c h SER 67 CO -0.20 0.38 -0.02 0.03 -0.87 0.00 0.00 176.83 176.16 1l8c h ARG 68 N 0.85 -0.05 -0.15 4.77 3.08 -1.53 -3.19 114.38 118.16 1l8c h ARG 68 Ca 0.52 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.62 1l8c h ARG 68 Cb 0.69 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.69 1l8c h ARG 68 CO -0.30 0.15 -0.30 0.37 -1.07 0.00 0.00 179.97 178.82 1l8c h GLN 69 N -0.24 -0.35 -0.64 0.04 -0.00 -0.73 0.10 115.11 113.29 1l8c h GLN 69 Ca -0.01 0.02 0.11 0.00 -0.00 0.00 0.00 58.65 58.78 1l8c h GLN 69 Cb 0.22 0.08 -0.08 0.00 0.00 0.00 0.00 27.48 27.70 1l8c h GLN 69 CO 0.01 -0.23 0.19 -0.84 0.00 0.00 0.00 178.83 177.96 1l8c h ILE 70 N -0.36 0.68 -0.32 2.39 3.07 -1.29 -0.59 117.51 121.08 1l8c h ILE 70 Ca 0.10 -0.12 -0.17 0.00 1.55 0.00 0.00 64.86 66.23 1l8c h ILE 70 Cb 0.53 0.31 -0.00 0.00 -0.27 0.00 0.00 36.82 37.38 1l8c h ILE 70 CO -0.36 0.06 -0.46 0.40 -1.05 0.00 0.00 178.15 176.74 1l8c h ILE 71 N 0.34 1.28 -0.19 0.16 1.08 -1.47 -1.94 117.51 116.78 1l8c h ILE 71 Ca 0.33 -1.64 0.05 0.00 -0.39 0.00 0.00 64.86 63.21 1l8c h ILE 71 Cb 0.48 1.51 -0.05 0.00 -3.07 0.00 0.00 36.82 35.69 1l8c h ILE 71 CO -0.38 0.54 -0.13 0.28 -0.69 0.00 0.00 178.15 177.77 1l8c h SER 72 N 0.68 -0.43 0.85 1.72 0.02 -0.10 0.65 113.55 116.93 1l8c h SER 72 Ca 0.04 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1l8c h SER 72 Cb 1.05 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1l8c h SER 72 CO 0.11 -0.17 -0.47 -0.74 -1.14 0.00 0.00 176.83 174.41 1l8c h HIS 73 N -0.14 -1.25 -0.72 3.45 -0.00 -1.13 -2.76 115.15 112.62 1l8c h HIS 73 Ca 0.11 -0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.60 1l8c h HIS 73 Cb 0.30 0.43 -0.09 0.00 -0.00 0.00 0.00 27.41 28.05 1l8c h HIS 73 CO -0.28 -0.73 0.25 2.35 -0.00 0.00 0.00 177.93 179.52 1l8c h TRP 74 N -1.22 0.42 -0.48 5.26 7.01 -1.10 0.11 115.95 125.94 1l8c h TRP 74 Ca -0.11 0.04 0.01 0.00 2.11 0.00 0.00 58.89 60.93 1l8c h TRP 74 Cb 0.96 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.92 1l8c h TRP 74 CO -0.06 0.03 0.32 -0.22 -2.79 0.00 0.00 178.44 175.72 1l8c h LYS 75 N 0.39 0.63 -0.01 2.65 1.63 -0.90 -3.25 116.57 117.71 1l8c h LYS 75 Ca 0.39 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.14 1l8c h LYS 75 Cb 0.59 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1l8c h LYS 75 CO -0.41 0.42 -0.04 -0.91 -3.45 0.00 0.00 179.45 175.06 1l8c h ASN 76 N 0.65 0.05 -2.54 4.20 2.35 -1.10 -3.46 115.58 115.72 1l8c h ASN 76 Ca 0.18 -0.69 -0.52 0.00 -0.55 0.00 0.00 56.30 54.72 1l8c h ASN 76 Cb -0.07 -0.01 0.04 0.00 0.05 0.00 0.00 38.32 38.33 1l8c h ASN 76 CO -0.04 0.73 1.10 0.00 -1.65 0.00 0.00 177.43 177.57 1l8c n THR 78 N 4.66 0.47 -1.87 0.00 5.66 -1.26 -4.89 114.28 117.05 1l8c n THR 78 Ca 0.18 -0.98 -0.40 0.00 -3.05 0.00 0.00 64.05 59.80 1l8c n THR 78 Cb 0.38 0.51 0.01 0.00 -1.55 0.00 0.00 70.33 69.68 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 -0.70 3.83 0.58 1.09 3.52 -1.26 -4.94 118.95 121.06 1l8c s ARG 79 Ca 0.20 2.37 0.38 0.00 -0.13 0.00 0.00 55.73 58.55 1l8c s ARG 79 Cb 0.21 -2.73 1.82 0.00 -1.56 0.00 0.00 34.95 32.69 1l8c s ARG 79 CO -0.06 -0.69 2.13 0.45 -0.81 0.00 0.00 175.30 176.32 1l8c h HIS 80 N 2.53 0.00 -0.03 5.12 3.86 -2.01 -3.36 115.15 121.26 1l8c h HIS 80 Ca -0.51 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 58.54 1l8c h HIS 80 Cb 1.26 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 29.46 1l8c h HIS 80 CO 0.51 0.00 -0.67 -0.40 0.86 0.00 0.00 177.93 178.23 1l8c n ASP 81 N -2.99 0.02 -4.75 2.45 5.75 -1.26 -4.96 116.55 110.81 1l8c n ASP 81 Ca -0.01 -2.02 -0.41 0.00 -0.01 0.00 0.00 54.79 52.34 1l8c n ASP 81 Cb 0.18 0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.26 1l8c n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1l8c n PRO 83 N 1.84 0.05 0.00 0.00 -0.04 -1.26 -2.80 135.00 132.79 1l8c n PRO 83 Ca 0.05 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1l8c n PRO 83 Cb 0.40 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.77 0.00 -0.10 0.52 0.31 -1.26 -4.83 118.33 111.20 1l8c n VAL 84 Ca -0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.26 1l8c n VAL 84 Cb 0.01 -1.10 0.01 0.00 -0.91 0.00 0.00 33.84 31.86 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 0.20 -1.18 -1.44 0.00 7.12 -1.77 0.36 115.31 118.60 1l8c h LEU 86 Ca 0.16 0.10 0.05 0.00 0.13 0.00 0.00 57.88 58.32 1l8c h LEU 86 Cb 0.17 0.40 -0.04 0.00 -0.53 0.00 0.00 40.66 40.66 1l8c h LEU 86 CO -0.20 -0.52 0.43 1.55 -0.13 0.00 0.00 178.44 179.57 1l8c h PRO 87 N -0.77 0.67 -0.07 5.25 0.13 -1.74 0.03 132.00 135.50 1l8c h PRO 87 Ca -0.04 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1l8c h PRO 87 Cb 0.69 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1l8c h PRO 87 CO -0.10 0.45 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.01 1l8c h LEU 88 N 0.69 0.16 0.16 1.56 3.38 -1.38 -2.71 115.31 117.17 1l8c h LEU 88 Ca 0.28 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1l8c h LEU 88 Cb 0.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1l8c h LEU 88 CO -0.08 0.54 -0.08 0.50 0.09 0.00 0.00 178.44 179.41 1l8c h LYS 89 N -0.23 -0.21 -3.25 1.13 3.64 -0.61 -3.40 116.57 113.65 1l8c h LYS 89 Ca 0.02 0.01 -0.59 0.00 -1.27 0.00 0.00 60.65 58.82 1l8c h LYS 89 Cb 0.48 0.05 -0.40 0.00 -0.41 0.00 0.00 32.23 31.95 1l8c h LYS 89 CO 0.01 -0.10 -0.76 1.21 -2.27 0.00 0.00 179.45 177.54 1l8c s ASN 90 N -5.04 3.79 -0.64 4.20 2.47 -0.03 -5.09 114.94 114.60 1l8c s ASN 90 Ca -0.14 -2.09 -0.26 0.00 0.42 0.00 0.00 52.86 50.79 1l8c s ASN 90 Cb 0.05 -0.90 0.04 0.00 -1.45 0.00 0.00 41.25 38.99 1l8c s ASN 90 CO 0.65 -0.35 1.13 0.00 -3.72 0.00 0.00 177.10 174.81 1l8c s ALA 91 N 1.05 2.97 -0.30 1.71 0.00 -1.02 -4.32 121.76 121.86 1l8c s ALA 91 Ca 0.14 -1.25 -0.28 0.00 0.00 0.00 0.00 51.96 50.57 1l8c s ALA 91 Cb -0.21 -4.01 -0.04 0.00 0.00 0.00 0.00 23.12 18.86 1l8c s ALA 91 CO -0.12 -2.82 2.14 -1.12 0.00 0.00 0.00 175.76 173.84 1l8c s SER 92 N 3.30 5.37 -0.14 0.00 0.01 -1.26 -4.95 113.70 116.03 1l8c s SER 92 Ca 0.34 1.56 -0.05 0.00 1.31 0.00 0.00 55.95 59.11 1l8c s SER 92 Cb -0.10 -2.51 0.07 0.00 0.21 0.00 0.00 66.02 63.68 1l8c s SER 92 CO 0.18 -2.08 0.29 -0.62 0.41 0.00 0.00 173.24 171.42 1l8c s ASP 93 N 8.44 0.17 -0.15 2.44 2.15 -1.26 -5.14 116.67 123.32 1l8c s ASP 93 Ca 0.94 0.65 -0.04 0.00 0.43 0.00 0.00 52.55 54.53 1l8c s ASP 93 Cb -0.27 0.75 0.05 0.00 -0.30 0.00 0.00 42.92 43.16 1l8c s ASP 93 CO 0.33 -0.23 0.06 -0.54 -0.17 0.00 0.00 175.17 174.62 1l8c s LYS 94 N 2.27 0.27 0.00 4.34 -0.14 -1.26 -5.30 119.74 119.92 1l8c s LYS 94 Ca -0.01 -0.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.50 1l8c s LYS 94 Cb -0.12 -1.67 0.00 0.00 -1.68 0.00 0.00 37.83 34.36 1l8c s LYS 94 CO -0.09 -0.59 0.03 0.54 -0.76 0.00 0.00 175.35 174.48