#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 6.75 0.19 0.00 2.15 -1.26 -4.96 116.67 119.53 1l8c s ASP 2 Ca 0.00 2.29 -0.14 0.00 0.43 0.00 0.00 52.55 55.13 1l8c s ASP 2 Cb 0.00 -2.56 0.19 0.00 -0.30 0.00 0.00 42.92 40.24 1l8c s ASP 2 CO 0.00 -0.78 1.67 -0.65 -0.17 0.00 0.00 175.17 175.24 1l8c h PRO 3 N 7.89 0.07 -0.39 4.34 0.11 -2.07 -2.64 132.00 139.31 1l8c h PRO 3 Ca -0.40 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1l8c h PRO 3 Cb 1.19 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1l8c h PRO 3 CO 0.91 0.05 0.19 0.93 -0.21 0.00 0.00 178.00 179.87 1l8c h GLU 4 N 0.07 0.56 -0.96 1.05 5.08 -2.01 -2.62 114.58 115.76 1l8c h GLU 4 Ca 0.25 -0.08 0.13 0.00 -1.00 0.00 0.00 59.36 58.66 1l8c h GLU 4 Cb 0.39 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.46 1l8c h GLU 4 CO -0.46 0.49 0.61 0.87 -1.00 0.00 0.00 179.01 179.52 1l8c h LYS 5 N 0.49 0.84 -0.32 2.33 1.57 -1.90 -1.48 116.57 118.10 1l8c h LYS 5 Ca 0.13 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1l8c h LYS 5 Cb 0.12 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1l8c h LYS 5 CO -0.02 0.55 0.14 -0.09 -0.57 0.00 0.00 179.45 179.46 1l8c h ARG 6 N 0.86 0.28 -0.35 3.15 2.43 -1.12 -0.36 114.38 119.27 1l8c h ARG 6 Ca 0.48 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.68 1l8c h ARG 6 Cb 0.60 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1l8c h ARG 6 CO -0.25 0.19 0.08 0.87 -1.51 0.00 0.00 179.97 179.36 1l8c h LYS 7 N 0.29 0.21 -0.75 0.20 1.57 -1.15 -0.00 116.57 116.93 1l8c h LYS 7 Ca 0.14 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1l8c h LYS 7 Cb 0.08 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1l8c h LYS 7 CO -0.12 0.14 0.47 -0.07 -0.57 0.00 0.00 179.45 179.30 1l8c h LEU 8 N 0.21 0.89 0.22 2.94 3.38 -0.99 -0.07 115.31 121.89 1l8c h LEU 8 Ca 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1l8c h LEU 8 Cb 0.18 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1l8c h LEU 8 CO -0.21 0.67 -0.10 0.40 0.09 0.00 0.00 178.44 179.29 1l8c h ILE 9 N 1.03 0.85 -0.60 1.22 2.04 -0.73 -1.81 117.51 119.50 1l8c h ILE 9 Ca 0.27 -0.43 0.12 0.00 1.00 0.00 0.00 64.86 65.83 1l8c h ILE 9 Cb -0.07 1.10 -0.11 0.00 -0.74 0.00 0.00 36.82 37.00 1l8c h ILE 9 CO -0.05 0.10 -0.11 1.56 0.00 0.00 0.00 178.15 179.64 1l8c h GLN 10 N -0.51 0.03 0.48 2.37 4.20 -0.83 -0.19 115.11 120.66 1l8c h GLN 10 Ca -0.03 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1l8c h GLN 10 Cb 0.38 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1l8c h GLN 10 CO 0.05 0.02 -0.47 0.37 -0.67 0.00 0.00 178.83 178.13 1l8c h GLN 11 N 0.03 -0.91 -0.98 1.46 4.15 -0.94 -1.89 115.11 116.02 1l8c h GLN 11 Ca 0.30 0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.91 1l8c h GLN 11 Cb 0.47 0.21 -0.09 0.00 0.21 0.00 0.00 27.48 28.27 1l8c h GLN 11 CO -0.59 -0.61 0.60 1.96 -1.93 0.00 0.00 178.83 178.26 1l8c h GLN 12 N -0.95 0.89 0.38 1.69 4.20 -0.85 -0.13 115.11 120.35 1l8c h GLN 12 Ca -0.06 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1l8c h GLN 12 Cb 0.82 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1l8c h GLN 12 CO -0.05 0.59 -0.45 1.25 -0.67 0.00 0.00 178.83 179.50 1l8c h LEU 13 N 0.91 -1.24 -0.32 1.46 6.46 -0.79 0.36 115.31 122.15 1l8c h LEU 13 Ca 0.51 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 58.37 1l8c h LEU 13 Cb 0.57 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 1l8c h LEU 13 CO -0.29 -0.59 0.17 0.58 -0.62 0.00 0.00 178.44 177.69 1l8c h VAL 14 N -0.86 1.13 -0.27 1.05 2.07 -0.99 -2.45 116.25 115.94 1l8c h VAL 14 Ca -0.03 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1l8c h VAL 14 Cb 0.78 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1l8c h VAL 14 CO -0.10 0.14 0.08 -0.07 0.02 0.00 0.00 177.57 177.63 1l8c h LEU 15 N 0.39 0.07 -0.69 2.57 3.38 -0.92 -1.00 115.31 119.12 1l8c h LEU 15 Ca 0.11 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1l8c h LEU 15 Cb 0.07 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1l8c h LEU 15 CO -0.02 0.07 0.44 0.25 0.09 0.00 0.00 178.44 179.28 1l8c h LEU 16 N 0.19 0.75 -0.01 1.67 5.85 -0.85 0.34 115.31 123.24 1l8c h LEU 16 Ca 0.12 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1l8c h LEU 16 Cb 0.10 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1l8c h LEU 16 CO -0.14 0.53 0.01 -0.07 -0.34 0.00 0.00 178.44 178.43 1l8c h LEU 17 N 0.89 0.02 -0.27 2.25 3.38 -1.26 -3.02 115.31 117.30 1l8c h LEU 17 Ca 0.26 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1l8c h LEU 17 Cb -0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1l8c h LEU 17 CO -0.08 0.17 -0.09 -0.74 0.09 0.00 0.00 178.44 177.79 1l8c h HIS 18 N -0.13 -0.21 -0.67 1.13 2.76 -0.93 -2.46 115.15 114.64 1l8c h HIS 18 Ca 0.00 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.32 1l8c h HIS 18 Cb 0.15 0.13 -0.12 0.00 1.55 0.00 0.00 27.41 29.12 1l8c h HIS 18 CO -0.02 -0.15 -0.33 0.00 -1.30 0.00 0.00 177.93 176.13 1l8c h ALA 19 N 1.21 0.04 -0.33 5.26 0.00 -0.82 0.13 119.26 124.74 1l8c h ALA 19 Ca 0.13 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1l8c h ALA 19 Cb 0.24 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1l8c h ALA 19 CO -0.30 -0.65 0.01 1.25 0.00 0.00 0.00 179.25 179.57 1l8c h HIS 20 N -0.12 0.63 -0.17 0.00 6.17 -1.41 -0.48 115.15 119.76 1l8c h HIS 20 Ca 0.26 -0.11 0.05 0.00 0.71 0.00 0.00 60.37 61.28 1l8c h HIS 20 Cb 0.56 -0.16 -0.05 0.00 2.52 0.00 0.00 27.41 30.27 1l8c h HIS 20 CO -0.67 0.69 -0.17 -0.22 0.71 0.00 0.00 177.93 178.27 1l8c h LYS 21 N 0.38 -0.18 0.17 5.26 3.64 -0.83 -0.05 116.57 124.96 1l8c h LYS 21 Ca 0.09 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1l8c h LYS 21 Cb 0.43 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1l8c h LYS 21 CO 0.02 -0.12 -0.15 0.00 -2.27 0.00 0.00 179.45 176.93 1l8c h GLN 23 N -0.34 -0.44 -0.38 0.00 4.15 -0.83 0.55 115.11 117.82 1l8c h GLN 23 Ca -0.00 0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.53 1l8c h GLN 23 Cb 0.31 0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.02 1l8c h GLN 23 CO -0.03 -0.30 -0.17 -0.09 -1.93 0.00 0.00 178.83 176.32 1l8c h ARG 24 N -0.46 -0.10 0.75 1.69 2.43 -0.93 -1.93 114.38 115.83 1l8c h ARG 24 Ca 0.08 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1l8c h ARG 24 Cb 0.61 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1l8c h ARG 24 CO -0.40 -0.06 -0.36 -0.09 -1.51 0.00 0.00 179.97 177.55 1l8c h ARG 25 N -0.10 -0.97 -0.87 0.20 2.43 -1.11 -3.28 114.38 110.68 1l8c h ARG 25 Ca 0.19 0.07 0.23 0.00 -0.81 0.00 0.00 59.98 59.65 1l8c h ARG 25 Cb 0.39 0.22 -0.14 0.00 -0.42 0.00 0.00 29.97 30.02 1l8c h ARG 25 CO -0.45 -0.63 0.25 1.49 -1.51 0.00 0.00 179.97 179.12 1l8c h GLU 26 N -1.06 0.22 -1.00 0.20 4.81 -0.62 0.61 114.58 117.75 1l8c h GLU 26 Ca -0.10 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.23 1l8c h GLU 26 Cb 0.78 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.03 1l8c h GLU 26 CO 0.17 0.15 0.63 1.96 -0.73 0.00 0.00 179.01 181.19 1l8c h GLN 27 N 0.23 0.98 0.00 1.92 1.08 -1.42 -3.16 115.11 114.74 1l8c h GLN 27 Ca 0.54 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.68 1l8c h GLN 27 Cb 1.08 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1l8c h GLN 27 CO -0.63 0.65 -0.05 0.00 -0.95 0.00 0.00 178.83 177.85 1l8c h ALA 28 N 1.53 0.00 -2.98 3.87 0.00 -1.18 -3.48 119.26 117.01 1l8c h ALA 28 Ca 0.49 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 1l8c h ALA 28 Cb 0.45 0.04 -0.28 0.00 0.00 0.00 0.00 17.79 18.00 1l8c h ALA 28 CO -0.26 0.04 -0.42 0.54 0.00 0.00 0.00 179.25 179.15 1l8c s ASN 29 N -5.72 -0.31 -0.18 0.00 2.20 0.04 -5.14 114.94 105.82 1l8c s ASN 29 Ca -0.05 0.59 -0.34 0.00 -0.94 0.00 0.00 52.86 52.12 1l8c s ASN 29 Cb -0.00 0.52 0.14 0.00 -2.00 0.00 0.00 41.25 39.91 1l8c s ASN 29 CO 0.17 -0.14 1.18 -0.83 -2.94 0.00 0.00 177.10 174.54 1l8c s GLY 30 N 0.86 -0.26 0.18 0.45 0.00 -1.25 -3.19 107.32 104.10 1l8c s GLY 30 Ca -0.06 1.72 -0.13 0.00 0.00 0.00 0.00 44.72 46.25 1l8c s GLY 30 CO -0.06 0.62 0.39 -1.83 0.00 0.00 0.00 173.10 172.22 1l8c s GLU 31 N -2.22 1.26 0.21 2.90 -1.05 -1.26 -5.05 118.70 113.49 1l8c s GLU 31 Ca 0.08 -1.05 -0.11 0.00 -0.15 0.00 0.00 54.97 53.74 1l8c s GLU 31 Cb -0.01 0.44 0.29 0.00 -0.44 0.00 0.00 34.13 34.41 1l8c s GLU 31 CO -0.05 -0.50 1.68 0.28 0.95 0.00 0.00 175.26 177.62 1l8c h VAL 32 N 2.39 0.54 0.00 1.83 2.07 -2.03 -1.69 116.25 119.37 1l8c h VAL 32 Ca -0.30 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1l8c h VAL 32 Cb 1.24 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1l8c h VAL 32 CO 0.43 0.03 0.00 -2.11 0.02 0.00 0.00 177.57 175.94 1l8c n ARG 33 N -5.23 0.43 -0.02 1.57 1.85 -1.26 -3.92 116.66 110.09 1l8c n ARG 33 Ca 0.09 0.04 -0.12 0.00 -1.00 0.00 0.00 57.85 56.85 1l8c n ARG 33 Cb 0.34 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.17 1l8c n ARG 33 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1l8c h ALA 34 N 3.28 0.09 -2.38 2.89 0.00 -1.71 -3.45 119.26 117.98 1l8c h ALA 34 Ca 0.00 -0.16 -0.45 0.00 0.00 0.00 0.00 54.91 54.30 1l8c h ALA 34 Cb 0.21 -0.03 0.14 0.00 0.00 0.00 0.00 17.79 18.11 1l8c h ALA 34 CO 0.00 -0.25 0.33 0.00 0.00 0.00 0.00 179.25 179.33 1l8c n SER 36 N -3.78 0.04 -4.66 0.00 7.64 -1.26 -5.08 113.62 106.53 1l8c n SER 36 Ca 0.09 0.17 -0.42 0.00 1.01 0.00 0.00 58.87 59.72 1l8c n SER 36 Cb 0.60 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.87 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 -5.93 4.29 0.26 -3.43 1.43 -1.26 -4.93 118.68 109.11 1l8c s LEU 37 Ca 0.00 2.26 -0.01 0.00 -1.03 0.00 0.00 54.13 55.34 1l8c s LEU 37 Cb 0.00 -3.53 0.35 0.00 0.03 0.00 0.00 46.19 43.04 1l8c s LEU 37 CO 0.00 -1.00 1.75 1.55 0.23 0.00 0.00 176.35 178.88 1l8c h PRO 38 N 9.96 0.73 0.00 1.29 0.13 -2.04 -2.93 132.00 139.14 1l8c h PRO 38 Ca -0.41 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1l8c h PRO 38 Cb 1.19 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1l8c h PRO 38 CO 0.96 0.78 0.00 0.72 -0.23 0.00 0.00 178.00 180.22 1l8c n HIS 39 N -4.20 0.00 0.03 1.56 8.25 -1.26 -3.76 115.22 115.84 1l8c n HIS 39 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 1l8c n HIS 39 Cb 0.32 -0.47 -0.04 0.00 1.12 0.00 0.00 29.99 30.91 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 -0.40 0.70 0.06 0.00 3.08 -1.81 0.74 114.38 116.75 1l8c h ARG 41 Ca 0.08 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1l8c h ARG 41 Cb 0.52 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1l8c h ARG 41 CO -0.29 0.47 -0.03 1.15 -1.07 0.00 0.00 179.97 180.20 1l8c h THR 42 N 0.72 0.96 -0.94 2.04 2.02 -1.61 -1.15 112.91 114.96 1l8c h THR 42 Ca 0.24 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.35 1l8c h THR 42 Cb 0.06 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 1l8c h THR 42 CO -0.06 0.02 0.62 0.24 0.37 0.00 0.00 175.52 176.71 1l8c h MET 43 N -0.12 1.22 -0.48 6.66 2.86 -0.39 -1.55 114.93 123.14 1l8c h MET 43 Ca -0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1l8c h MET 43 Cb 0.10 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 1l8c h MET 43 CO 0.01 0.81 0.30 0.87 1.06 0.00 0.00 176.91 179.97 1l8c h LYS 44 N 1.26 0.64 -0.26 1.72 1.57 -0.58 0.19 116.57 121.11 1l8c h LYS 44 Ca 0.35 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1l8c h LYS 44 Cb -0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 1l8c h LYS 44 CO -0.08 0.44 0.14 -0.91 -0.57 0.00 0.00 179.45 178.47 1l8c h ASN 45 N 0.64 0.23 -0.24 0.86 2.35 -0.90 -1.18 115.58 117.34 1l8c h ASN 45 Ca 0.17 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.95 1l8c h ASN 45 Cb -0.04 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1l8c h ASN 45 CO -0.04 0.17 0.08 0.58 -1.65 0.00 0.00 177.43 176.57 1l8c h VAL 46 N 0.30 0.93 -0.28 2.81 2.07 -1.00 -2.22 116.25 118.86 1l8c h VAL 46 Ca 0.10 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.62 1l8c h VAL 46 Cb 0.01 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1l8c h VAL 46 CO -0.06 0.03 -0.08 0.25 0.02 0.00 0.00 177.57 177.74 1l8c h LEU 47 N 0.18 -0.29 -0.82 2.57 7.12 -0.40 0.64 115.31 124.31 1l8c h LEU 47 Ca 0.11 0.09 0.05 0.00 0.13 0.00 0.00 57.88 58.26 1l8c h LEU 47 Cb 0.08 0.18 -0.06 0.00 -0.53 0.00 0.00 40.66 40.34 1l8c h LEU 47 CO -0.12 -0.10 0.51 -1.13 -0.13 0.00 0.00 178.44 177.47 1l8c h ASN 48 N -0.02 0.81 0.11 1.25 -1.24 -1.09 -2.93 115.58 112.48 1l8c h ASN 48 Ca 0.14 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 1l8c h ASN 48 Cb 0.22 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.11 1l8c h ASN 48 CO -0.30 0.53 -0.05 -0.74 -1.29 0.00 0.00 177.43 175.58 1l8c h HIS 49 N 0.95 -0.14 -0.86 0.67 2.76 -0.81 -3.34 115.15 114.39 1l8c h HIS 49 Ca 0.35 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.70 1l8c h HIS 49 Cb 0.12 0.04 -0.16 0.00 1.55 0.00 0.00 27.41 28.97 1l8c h HIS 49 CO -0.04 0.23 -0.17 0.52 -1.30 0.00 0.00 177.93 177.17 1l8c h MET 50 N -0.53 0.01 -0.37 5.26 2.86 -0.71 -0.40 114.93 121.06 1l8c h MET 50 Ca -0.01 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1l8c h MET 50 Cb 0.43 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1l8c h MET 50 CO 0.02 0.01 0.24 1.79 1.06 0.00 0.00 176.91 180.03 1l8c h THR 51 N 0.01 1.09 -0.04 2.22 1.35 -1.65 -3.27 112.91 112.62 1l8c h THR 51 Ca 0.43 -0.17 -0.10 0.00 -0.55 0.00 0.00 66.41 66.02 1l8c h THR 51 Cb 0.69 0.55 0.01 0.00 -1.73 0.00 0.00 68.15 67.67 1l8c h THR 51 CO -0.87 0.09 -0.35 0.45 -0.25 0.00 0.00 175.52 174.59 1l8c h HIS 52 N 0.49 0.44 -3.12 4.73 3.86 -1.53 -3.46 115.15 116.57 1l8c h HIS 52 Ca 0.14 -0.21 -0.53 0.00 -1.16 0.00 0.00 60.37 58.61 1l8c h HIS 52 Cb -0.05 -0.06 0.07 0.00 1.06 0.00 0.00 27.41 28.43 1l8c h HIS 52 CO -0.05 0.97 0.91 0.00 0.86 0.00 0.00 177.93 180.62 1l8c n GLN 54 N 2.80 4.09 -0.23 0.00 6.02 -1.26 -4.71 117.38 124.08 1l8c n GLN 54 Ca 0.11 -0.15 -0.08 0.00 -0.01 0.00 0.00 57.00 56.86 1l8c n GLN 54 Cb 0.37 -0.86 0.03 0.00 1.02 0.00 0.00 30.24 30.81 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 1.00 0.87 -0.83 -1.58 0.00 -1.97 -3.47 119.26 113.28 1l8c h ALA 55 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1l8c h ALA 55 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1l8c h ALA 55 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1l8c n GLY 56 N -0.52 0.35 0.29 0.00 0.00 -1.26 -2.23 105.19 101.82 1l8c n GLY 56 Ca 0.04 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 0.76 0.00 1.61 1.79 -1.90 -2.89 116.57 115.93 1l8c h LYS 57 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1l8c h LYS 57 Cb 0.00 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.48 1l8c h LYS 57 CO 0.00 0.50 0.00 0.00 -1.08 0.00 0.00 179.45 178.87 1l8c h ALA 58 N 1.39 1.00 -2.49 3.86 0.00 -1.84 -3.46 119.26 117.72 1l8c h ALA 58 Ca 0.35 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.72 1l8c h ALA 58 Cb 0.24 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.05 1l8c h ALA 58 CO -0.20 0.00 0.92 0.00 0.00 0.00 0.00 179.25 179.97 1l8c h GLN 60 N 7.76 0.04 -6.26 0.00 4.20 -1.90 -3.42 115.11 115.53 1l8c h GLN 60 Ca -0.42 -0.01 -0.55 0.00 0.06 0.00 0.00 58.65 57.73 1l8c h GLN 60 Cb 1.20 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1l8c h GLN 60 CO 0.92 0.22 1.17 0.08 -0.67 0.00 0.00 178.83 180.55 1l8c s VAL 61 N -4.64 3.42 0.16 -0.54 1.01 -1.26 -4.93 120.40 113.62 1l8c s VAL 61 Ca -0.04 0.49 -0.23 0.00 0.00 0.00 0.00 61.98 62.21 1l8c s VAL 61 Cb 0.16 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 33.22 1l8c s VAL 61 CO 0.70 -0.10 1.61 0.00 0.00 0.00 0.00 175.10 177.31 1l8c h ALA 62 N 10.68 -0.16 -0.42 5.51 0.00 -2.00 -1.97 119.26 130.90 1l8c h ALA 62 Ca -0.40 0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1l8c h ALA 62 Cb 1.19 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 1l8c h ALA 62 CO 0.96 -0.71 0.25 0.45 0.00 0.00 0.00 179.25 180.20 1l8c h HIS 63 N -0.25 0.46 -0.24 0.00 3.86 -1.97 -1.15 115.15 115.87 1l8c h HIS 63 Ca 0.17 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1l8c h HIS 63 Cb 0.52 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 1l8c h HIS 63 CO -0.51 0.27 0.09 0.00 0.86 0.00 0.00 177.93 178.65 1l8c h ALA 65 N 1.14 -0.96 0.07 0.00 0.00 -1.20 -3.33 119.26 114.97 1l8c h ALA 65 Ca 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1l8c h ALA 65 Cb 0.05 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1l8c h ALA 65 CO -0.09 -1.04 -0.03 0.66 0.00 0.00 0.00 179.25 178.74 1l8c h SER 66 N -0.96 -0.08 -0.99 0.00 4.64 -1.16 -3.32 113.55 111.68 1l8c h SER 66 Ca -0.10 -0.11 0.30 0.00 -0.47 0.00 0.00 61.79 61.41 1l8c h SER 66 Cb 0.74 0.02 -0.14 0.00 -0.31 0.00 0.00 62.40 62.70 1l8c h SER 66 CO 0.16 0.06 0.54 0.77 -0.87 0.00 0.00 176.83 177.49 1l8c h SER 67 N -0.21 0.50 -0.29 4.97 4.64 -1.08 -1.52 113.55 120.58 1l8c h SER 67 Ca -0.01 0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1l8c h SER 67 Cb 0.18 0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1l8c h SER 67 CO 0.02 -0.09 0.13 0.03 -0.87 0.00 0.00 176.83 176.05 1l8c h ARG 68 N 0.37 0.47 -0.01 4.77 3.08 -1.67 -2.97 114.38 118.42 1l8c h ARG 68 Ca 0.70 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.69 1l8c h ARG 68 Cb 1.52 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.48 1l8c h ARG 68 CO -0.58 0.39 -0.02 1.96 -1.07 0.00 0.00 179.97 180.65 1l8c h GLN 69 N 0.47 0.03 -0.56 0.04 7.50 -1.47 -2.65 115.11 118.46 1l8c h GLN 69 Ca 0.12 -0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.35 1l8c h GLN 69 Cb 0.10 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 27.55 1l8c h GLN 69 CO -0.01 0.61 0.11 -0.84 -1.50 0.00 0.00 178.83 177.20 1l8c h ILE 70 N -0.55 0.67 -0.23 2.54 3.07 -1.50 0.25 117.51 121.76 1l8c h ILE 70 Ca -0.00 -0.09 -0.16 0.00 1.55 0.00 0.00 64.86 66.17 1l8c h ILE 70 Cb 0.61 0.40 -0.01 0.00 -0.27 0.00 0.00 36.82 37.55 1l8c h ILE 70 CO 0.00 0.05 -0.49 0.40 -1.05 0.00 0.00 178.15 177.06 1l8c h ILE 71 N 0.25 1.30 -0.02 0.16 1.08 -1.65 -2.26 117.51 116.37 1l8c h ILE 71 Ca 0.29 -1.70 0.03 0.00 -0.39 0.00 0.00 64.86 63.09 1l8c h ILE 71 Cb 0.42 1.65 -0.04 0.00 -3.07 0.00 0.00 36.82 35.78 1l8c h ILE 71 CO -0.38 0.54 -0.22 0.28 -0.69 0.00 0.00 178.15 177.68 1l8c h SER 72 N 0.50 -0.66 0.61 1.72 0.02 -0.94 -1.64 113.55 113.16 1l8c h SER 72 Ca 0.02 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1l8c h SER 72 Cb 1.04 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.84 1l8c h SER 72 CO 0.10 -0.29 -0.51 -0.74 -1.14 0.00 0.00 176.83 174.25 1l8c h HIS 73 N -0.34 -1.40 -0.76 3.45 -0.00 -0.92 -1.99 115.15 113.19 1l8c h HIS 73 Ca 0.07 0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.57 1l8c h HIS 73 Cb 0.43 0.53 -0.09 0.00 -0.00 0.00 0.00 27.41 28.28 1l8c h HIS 73 CO -0.27 -0.70 0.35 2.35 -0.00 0.00 0.00 177.93 179.65 1l8c h TRP 74 N -1.09 0.62 -0.29 5.26 7.01 -1.33 0.77 115.95 126.89 1l8c h TRP 74 Ca -0.08 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1l8c h TRP 74 Cb 0.92 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.81 1l8c h TRP 74 CO -0.21 0.15 0.11 -0.22 -2.79 0.00 0.00 178.44 175.48 1l8c h LYS 75 N 0.54 0.44 -0.23 2.65 3.64 -1.24 -3.29 116.57 119.08 1l8c h LYS 75 Ca 0.41 -0.09 -0.20 0.00 -1.27 0.00 0.00 60.65 59.50 1l8c h LYS 75 Cb 0.55 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1l8c h LYS 75 CO -0.35 0.47 -0.62 -0.91 -2.27 0.00 0.00 179.45 175.78 1l8c h ASN 76 N 0.32 0.94 -2.70 4.20 2.35 -0.75 -3.46 115.58 116.48 1l8c h ASN 76 Ca 0.10 -0.57 -0.52 0.00 -0.55 0.00 0.00 56.30 54.75 1l8c h ASN 76 Cb 0.20 -0.27 0.06 0.00 0.05 0.00 0.00 38.32 38.36 1l8c h ASN 76 CO -0.01 1.35 0.99 0.00 -1.65 0.00 0.00 177.43 178.11 1l8c n THR 78 N 3.96 0.52 -1.80 0.00 -2.24 -1.26 -4.97 114.28 108.50 1l8c n THR 78 Ca 0.15 -0.62 -0.38 0.00 -2.27 0.00 0.00 64.05 60.93 1l8c n THR 78 Cb 0.36 0.35 0.04 0.00 -2.10 0.00 0.00 70.33 68.98 1l8c n THR 78 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1l8c s ARG 79 N -0.78 3.11 0.14 -0.78 3.52 -1.26 -4.96 118.95 117.94 1l8c s ARG 79 Ca 0.08 2.20 -0.20 0.00 -0.13 0.00 0.00 55.73 57.68 1l8c s ARG 79 Cb 0.07 -2.22 0.02 0.00 -1.56 0.00 0.00 34.95 31.26 1l8c s ARG 79 CO 0.01 -1.21 1.67 0.45 -0.81 0.00 0.00 175.30 175.41 1l8c h HIS 80 N 1.39 -0.34 -2.85 5.12 3.86 -2.04 -3.41 115.15 116.88 1l8c h HIS 80 Ca -0.51 0.03 -0.25 0.00 -1.16 0.00 0.00 60.37 58.48 1l8c h HIS 80 Cb 1.30 0.19 -0.34 0.00 1.06 0.00 0.00 27.41 29.62 1l8c h HIS 80 CO 0.46 -0.20 -0.57 0.16 0.86 0.00 0.00 177.93 178.63 1l8c s ASP 81 N -5.12 0.60 0.02 2.45 -4.77 -1.26 -4.93 116.67 103.65 1l8c s ASP 81 Ca -0.14 0.40 0.07 0.00 -3.30 0.00 0.00 52.55 49.59 1l8c s ASP 81 Cb 0.12 0.56 -0.02 0.00 -1.09 0.00 0.00 42.92 42.48 1l8c s ASP 81 CO 0.69 -0.25 -0.22 0.00 0.70 0.00 0.00 175.17 176.08 1l8c n PRO 83 N 2.17 0.09 0.00 0.00 -0.04 -1.26 -2.95 135.00 133.01 1l8c n PRO 83 Ca -0.16 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1l8c n PRO 83 Cb 0.53 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 -2.00 0.00 -0.05 0.52 0.31 -1.26 -4.81 118.33 111.04 1l8c n VAL 84 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.24 1l8c n VAL 84 Cb 0.08 -1.09 -0.02 0.00 -0.91 0.00 0.00 33.84 31.91 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 -0.13 -1.31 -1.66 0.00 7.12 -1.87 -0.51 115.31 116.95 1l8c h LEU 86 Ca 0.13 0.09 0.03 0.00 0.13 0.00 0.00 57.88 58.25 1l8c h LEU 86 Cb 0.32 0.40 -0.02 0.00 -0.53 0.00 0.00 40.66 40.83 1l8c h LEU 86 CO -0.31 -0.73 0.27 1.55 -0.13 0.00 0.00 178.44 179.09 1l8c h PRO 87 N -1.15 0.43 -0.18 5.25 0.13 -1.73 -0.89 132.00 133.86 1l8c h PRO 87 Ca -0.09 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 1l8c h PRO 87 Cb 0.95 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1l8c h PRO 87 CO 0.05 0.29 0.02 -0.07 -0.23 0.00 0.00 178.00 178.05 1l8c h LEU 88 N 0.44 0.30 0.09 1.56 3.38 -1.34 -3.24 115.31 116.50 1l8c h LEU 88 Ca 0.16 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1l8c h LEU 88 Cb 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1l8c h LEU 88 CO -0.04 0.50 -0.17 0.50 0.09 0.00 0.00 178.44 179.32 1l8c h LYS 89 N 0.08 -0.31 -3.51 1.13 3.64 -0.46 -3.43 116.57 113.71 1l8c h LYS 89 Ca 0.05 0.02 -0.37 0.00 -1.27 0.00 0.00 60.65 59.09 1l8c h LYS 89 Cb 0.33 0.07 -0.37 0.00 -0.41 0.00 0.00 32.23 31.85 1l8c h LYS 89 CO 0.01 -0.21 -0.75 1.21 -2.27 0.00 0.00 179.45 177.44 1l8c s ASN 90 N -4.93 0.92 -0.15 4.20 2.47 -0.40 -5.10 114.94 111.95 1l8c s ASN 90 Ca -0.15 0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.15 1l8c s ASN 90 Cb 0.07 -0.21 0.03 0.00 -1.45 0.00 0.00 41.25 39.70 1l8c s ASN 90 CO 0.66 -0.19 -0.10 0.00 -3.72 0.00 0.00 177.10 173.75 1l8c s ALA 91 N 1.72 1.64 -0.05 1.71 0.00 -1.23 -4.23 121.76 121.32 1l8c s ALA 91 Ca -0.00 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1l8c s ALA 91 Cb -0.13 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 21.95 1l8c s ALA 91 CO -0.03 -0.53 -0.12 -1.12 0.00 0.00 0.00 175.76 173.96 1l8c s SER 92 N 1.57 1.70 0.40 0.00 0.01 -1.26 -5.14 113.70 110.99 1l8c s SER 92 Ca 0.03 -0.28 -0.26 0.00 1.31 0.00 0.00 55.95 56.75 1l8c s SER 92 Cb -0.14 -0.68 -0.09 0.00 0.21 0.00 0.00 66.02 65.32 1l8c s SER 92 CO -0.09 0.05 1.30 -0.62 0.41 0.00 0.00 173.24 174.30 1l8c s ASP 93 N 0.49 6.32 -0.20 2.44 2.15 -1.26 -5.05 116.67 121.56 1l8c s ASP 93 Ca -0.11 2.65 0.00 0.00 0.43 0.00 0.00 52.55 55.53 1l8c s ASP 93 Cb -0.14 -2.64 0.05 0.00 -0.30 0.00 0.00 42.92 39.89 1l8c s ASP 93 CO 0.03 -0.85 -0.07 -0.54 -0.17 0.00 0.00 175.17 173.57 1l8c s LYS 94 N -2.24 1.67 0.00 4.34 1.02 -1.26 -5.36 119.74 117.91 1l8c s LYS 94 Ca 0.57 -0.76 0.06 0.00 0.02 0.00 0.00 55.97 55.86 1l8c s LYS 94 Cb -0.38 -2.32 0.38 0.00 -0.52 0.00 0.00 37.83 34.99 1l8c s LYS 94 CO 0.49 -0.49 0.85 0.54 -0.92 0.00 0.00 175.35 175.82