#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 0.47 0.00 -1.08 -1.26 -5.07 116.67 109.63 1l8c s ASP 2 Ca 0.00 0.21 0.16 0.00 -0.52 0.00 0.00 52.55 52.41 1l8c s ASP 2 Cb 0.00 0.20 1.12 0.00 -1.46 0.00 0.00 42.92 42.78 1l8c s ASP 2 CO 0.00 -0.05 2.04 1.55 0.52 0.00 0.00 175.17 179.23 1l8c h PRO 3 N 6.15 0.00 -0.33 4.34 0.13 -2.07 -2.71 132.00 137.51 1l8c h PRO 3 Ca -0.27 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.72 1l8c h PRO 3 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1l8c h PRO 3 CO 0.44 0.14 -0.33 0.93 -0.23 0.00 0.00 178.00 178.95 1l8c h GLU 4 N 0.00 0.81 -0.64 0.86 5.08 -2.01 -3.01 114.58 115.67 1l8c h GLU 4 Ca -0.00 -0.43 0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1l8c h GLU 4 Cb 0.25 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1l8c h GLU 4 CO 0.02 1.06 0.43 0.87 -1.00 0.00 0.00 179.01 180.39 1l8c h LYS 5 N 0.58 0.44 -0.45 2.33 6.56 -1.92 -1.06 116.57 123.05 1l8c h LYS 5 Ca 0.05 -0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.66 1l8c h LYS 5 Cb 0.91 -0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 32.43 1l8c h LYS 5 CO 0.08 0.29 0.21 0.00 -2.06 0.00 0.00 179.45 177.97 1l8c h ARG 6 N 0.45 0.40 -0.10 3.15 2.47 -1.42 0.10 114.38 119.43 1l8c h ARG 6 Ca 0.30 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 59.03 1l8c h ARG 6 Cb 0.56 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.75 1l8c h ARG 6 CO -0.09 0.27 -0.11 0.87 0.56 0.00 0.00 179.97 181.47 1l8c h LYS 7 N 0.42 -0.14 -0.09 0.04 1.57 -1.23 0.54 116.57 117.69 1l8c h LYS 7 Ca 0.20 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1l8c h LYS 7 Cb 0.14 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1l8c h LYS 7 CO -0.16 -0.09 -0.18 -0.07 -0.57 0.00 0.00 179.45 178.38 1l8c h LEU 8 N -0.14 -0.54 0.31 2.94 3.38 -1.09 -1.55 115.31 118.62 1l8c h LEU 8 Ca 0.08 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1l8c h LEU 8 Cb 0.25 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1l8c h LEU 8 CO -0.19 -0.23 -0.17 0.40 0.09 0.00 0.00 178.44 178.34 1l8c h ILE 9 N -0.25 0.65 -0.46 1.22 2.04 -0.82 -2.15 117.51 117.74 1l8c h ILE 9 Ca 0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.03 1l8c h ILE 9 Cb 0.36 0.65 -0.10 0.00 -0.74 0.00 0.00 36.82 36.99 1l8c h ILE 9 CO -0.23 0.00 -0.32 1.56 0.00 0.00 0.00 178.15 179.16 1l8c h GLN 10 N -0.45 -0.21 0.35 2.37 4.20 -0.72 -0.01 115.11 120.65 1l8c h GLN 10 Ca -0.04 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1l8c h GLN 10 Cb 0.36 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1l8c h GLN 10 CO 0.05 -0.14 -0.17 -0.56 -0.67 0.00 0.00 178.83 177.34 1l8c h GLN 11 N -0.22 -0.45 -0.80 1.46 3.07 -1.24 -2.56 115.11 114.37 1l8c h GLN 11 Ca 0.19 0.03 0.13 0.00 0.09 0.00 0.00 58.65 59.10 1l8c h GLN 11 Cb 0.54 0.10 -0.09 0.00 0.08 0.00 0.00 27.48 28.11 1l8c h GLN 11 CO -0.58 -0.28 0.39 1.96 0.09 0.00 0.00 178.83 180.41 1l8c h GLN 12 N -0.51 0.57 0.45 0.06 4.20 -0.91 0.94 115.11 119.91 1l8c h GLN 12 Ca -0.05 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1l8c h GLN 12 Cb 0.39 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1l8c h GLN 12 CO 0.08 0.37 -0.49 1.25 -0.67 0.00 0.00 178.83 179.38 1l8c h LEU 13 N 0.58 -1.34 -0.50 1.46 6.46 -0.91 -0.07 115.31 120.98 1l8c h LEU 13 Ca 0.43 0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 58.27 1l8c h LEU 13 Cb 0.58 0.45 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 1l8c h LEU 13 CO -0.35 -0.64 0.19 0.58 -0.62 0.00 0.00 178.44 177.60 1l8c h VAL 14 N -0.95 1.22 -0.04 1.05 2.07 -1.10 -2.55 116.25 115.94 1l8c h VAL 14 Ca -0.05 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1l8c h VAL 14 Cb 0.84 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1l8c h VAL 14 CO -0.08 0.26 -0.08 -0.07 0.02 0.00 0.00 177.57 177.62 1l8c h LEU 15 N 0.68 -0.24 -0.73 2.57 3.38 -0.74 -1.59 115.31 118.65 1l8c h LEU 15 Ca 0.17 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.23 1l8c h LEU 15 Cb 0.22 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1l8c h LEU 15 CO -0.01 -0.11 0.44 0.25 0.09 0.00 0.00 178.44 179.09 1l8c h LEU 16 N -0.12 0.68 0.16 1.67 5.85 -0.94 0.12 115.31 122.72 1l8c h LEU 16 Ca 0.05 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1l8c h LEU 16 Cb 0.18 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1l8c h LEU 16 CO -0.11 0.45 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.29 1l8c h LEU 17 N 0.82 -0.18 -0.41 2.25 3.38 -1.31 -2.95 115.31 116.90 1l8c h LEU 17 Ca 0.31 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1l8c h LEU 17 Cb 0.13 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1l8c h LEU 17 CO -0.16 -0.04 0.13 -0.74 0.09 0.00 0.00 178.44 177.73 1l8c h HIS 18 N -0.31 0.23 -0.69 1.13 2.76 -0.99 -2.71 115.15 114.56 1l8c h HIS 18 Ca -0.02 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.27 1l8c h HIS 18 Cb 0.24 -0.04 -0.12 0.00 1.55 0.00 0.00 27.41 29.04 1l8c h HIS 18 CO -0.04 0.08 -0.43 0.00 -1.30 0.00 0.00 177.93 176.24 1l8c h ALA 19 N 1.28 -0.23 -0.38 5.26 0.00 -0.60 0.21 119.26 124.80 1l8c h ALA 19 Ca 0.19 0.15 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 1l8c h ALA 19 Cb 0.20 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1l8c h ALA 19 CO -0.21 -0.79 -0.32 1.25 0.00 0.00 0.00 179.25 179.18 1l8c h HIS 20 N -0.16 0.98 -0.73 0.00 6.17 -1.51 -0.49 115.15 119.42 1l8c h HIS 20 Ca 0.21 -0.27 0.06 0.00 0.71 0.00 0.00 60.37 61.08 1l8c h HIS 20 Cb 0.55 -0.22 -0.06 0.00 2.52 0.00 0.00 27.41 30.21 1l8c h HIS 20 CO -0.76 1.04 0.43 -0.22 0.71 0.00 0.00 177.93 179.14 1l8c h LYS 21 N 0.70 0.78 0.02 5.26 1.63 -0.89 0.58 116.57 124.65 1l8c h LYS 21 Ca 0.07 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1l8c h LYS 21 Cb 0.87 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1l8c h LYS 21 CO 0.08 0.51 -0.01 0.00 -3.45 0.00 0.00 179.45 176.58 1l8c h GLN 23 N -0.22 0.41 0.20 0.00 4.15 -0.57 0.67 115.11 119.75 1l8c h GLN 23 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1l8c h GLN 23 Cb 0.21 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1l8c h GLN 23 CO 0.00 0.27 -0.19 -0.09 -1.93 0.00 0.00 178.83 176.90 1l8c h ARG 24 N 0.43 -0.40 -0.08 1.69 9.65 -0.84 -1.38 114.38 123.44 1l8c h ARG 24 Ca 0.36 0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.29 1l8c h ARG 24 Cb 0.49 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.13 1l8c h ARG 24 CO -0.36 -0.27 -0.09 -0.09 2.80 0.00 0.00 179.97 181.96 1l8c h ARG 25 N -0.41 -0.12 -0.58 0.20 2.43 -1.12 -1.18 114.38 113.60 1l8c h ARG 25 Ca -0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1l8c h ARG 25 Cb 0.38 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.89 1l8c h ARG 25 CO -0.04 -0.08 0.21 1.49 -1.51 0.00 0.00 179.97 180.04 1l8c h GLU 26 N -0.12 0.38 -0.02 0.20 4.81 -0.79 0.25 114.58 119.28 1l8c h GLU 26 Ca 0.06 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1l8c h GLU 26 Cb 0.22 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1l8c h GLU 26 CO -0.16 0.25 0.00 1.96 -0.73 0.00 0.00 179.01 180.33 1l8c h GLN 27 N 0.39 0.03 0.59 1.92 4.20 -1.10 -2.52 115.11 118.62 1l8c h GLN 27 Ca 0.29 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 1l8c h GLN 27 Cb 0.35 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1l8c h GLN 27 CO -0.29 0.31 -0.39 0.00 -0.67 0.00 0.00 178.83 177.79 1l8c h ALA 28 N 0.72 -0.96 -1.86 3.87 0.00 -0.86 -3.41 119.26 116.75 1l8c h ALA 28 Ca 0.01 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.40 1l8c h ALA 28 Cb 0.30 0.49 -0.30 0.00 0.00 0.00 0.00 17.79 18.28 1l8c h ALA 28 CO 0.00 -1.06 -0.65 1.21 0.00 0.00 0.00 179.25 178.75 1l8c s ASN 29 N -4.40 0.90 -1.43 0.00 2.47 0.05 -5.07 114.94 107.45 1l8c s ASN 29 Ca -0.18 -1.38 -0.13 0.00 0.42 0.00 0.00 52.86 51.60 1l8c s ASN 29 Cb 0.04 0.72 0.06 0.00 -1.45 0.00 0.00 41.25 40.62 1l8c s ASN 29 CO 0.62 -0.27 2.20 0.61 -3.72 0.00 0.00 177.10 176.54 1l8c n GLY 30 N 4.40 4.50 0.00 1.21 0.00 -0.95 -4.40 105.19 109.95 1l8c n GLY 30 Ca 0.10 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1l8c n GLY 30 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1l8c n GLU 31 N 5.46 0.00 -2.62 1.61 2.13 -1.26 -5.00 120.64 120.96 1l8c n GLU 31 Ca 0.51 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.91 1l8c n GLU 31 Cb 0.37 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.06 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 0.00 4.08 0.55 6.31 1.01 -1.26 -5.00 120.40 126.09 1l8c s VAL 32 Ca 0.00 -1.02 -0.19 0.00 0.00 0.00 0.00 61.98 60.77 1l8c s VAL 32 Cb 0.00 -5.03 -0.05 0.00 0.00 0.00 0.00 36.38 31.30 1l8c s VAL 32 CO 0.00 -1.88 1.12 0.00 0.00 0.00 0.00 175.10 174.34 1l8c s ARG 33 N 4.51 3.33 0.00 2.72 3.03 -1.26 -4.99 118.95 126.29 1l8c s ARG 33 Ca 0.45 1.56 0.02 0.00 2.03 0.00 0.00 55.73 59.79 1l8c s ARG 33 Cb -0.00 -2.01 0.05 0.00 -1.03 0.00 0.00 34.95 31.96 1l8c s ARG 33 CO -0.08 -0.86 1.01 0.00 -1.13 0.00 0.00 175.30 174.24 1l8c n ALA 34 N -1.40 2.07 -1.76 7.88 0.00 -1.26 -5.05 120.51 120.98 1l8c n ALA 34 Ca 0.11 -0.98 -0.40 0.00 0.00 0.00 0.00 53.44 52.17 1l8c n ALA 34 Cb 0.51 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 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 0.82 0.29 -4.66 0.00 7.64 -1.26 -5.08 113.62 111.37 1l8c n SER 36 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1l8c n SER 36 Cb 0.45 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 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 -4.68 4.40 0.24 -3.43 1.43 -1.26 -4.93 118.68 110.45 1l8c s LEU 37 Ca 0.00 2.57 -0.04 0.00 -1.03 0.00 0.00 54.13 55.63 1l8c s LEU 37 Cb 0.00 -3.53 0.27 0.00 0.03 0.00 0.00 46.19 42.96 1l8c s LEU 37 CO 0.00 -1.01 1.75 1.55 0.23 0.00 0.00 176.35 178.87 1l8c h PRO 38 N 10.13 0.91 0.00 1.29 0.13 -2.05 -3.09 132.00 139.32 1l8c h PRO 38 Ca -0.47 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1l8c h PRO 38 Cb 1.22 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1l8c h PRO 38 CO 0.94 0.86 0.00 0.72 -0.23 0.00 0.00 178.00 180.30 1l8c n HIS 39 N -4.22 0.00 -0.29 1.56 8.25 -1.26 -4.27 115.22 114.98 1l8c n HIS 39 Ca 0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.42 1l8c n HIS 39 Cb 0.28 -0.48 -0.04 0.00 1.12 0.00 0.00 29.99 30.88 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 0.00 0.10 0.00 2.43 -1.85 -0.02 114.38 114.89 1l8c h ARG 41 Ca 0.20 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1l8c h ARG 41 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1l8c h ARG 41 CO -0.81 0.03 -0.05 1.15 -1.51 0.00 0.00 179.97 178.78 1l8c h THR 42 N 0.00 1.00 -0.85 0.20 2.02 -1.53 -1.30 112.91 112.43 1l8c h THR 42 Ca -0.00 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 66.90 1l8c h THR 42 Cb 0.05 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1l8c h THR 42 CO 0.00 0.08 0.56 0.24 0.37 0.00 0.00 175.52 176.77 1l8c h MET 43 N -0.28 1.00 -0.56 6.66 2.86 -0.91 -1.24 114.93 122.46 1l8c h MET 43 Ca -0.01 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1l8c h MET 43 Cb 0.23 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1l8c h MET 43 CO 0.02 0.66 0.33 0.87 1.06 0.00 0.00 176.91 179.85 1l8c h LYS 44 N 1.03 0.77 -0.16 1.72 1.57 -0.76 0.99 116.57 121.72 1l8c h LYS 44 Ca 0.35 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1l8c h LYS 44 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1l8c h LYS 44 CO -0.11 0.56 0.10 -0.91 -0.57 0.00 0.00 179.45 178.52 1l8c h ASN 45 N 0.76 0.19 0.05 0.86 2.35 -0.69 -0.87 115.58 118.23 1l8c h ASN 45 Ca 0.20 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1l8c h ASN 45 Cb -0.00 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 1l8c h ASN 45 CO -0.04 0.17 -0.27 0.58 -1.65 0.00 0.00 177.43 176.22 1l8c h VAL 46 N 0.19 0.41 -0.34 2.81 2.07 -1.05 -2.25 116.25 118.09 1l8c h VAL 46 Ca 0.06 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1l8c h VAL 46 Cb 0.01 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.10 1l8c h VAL 46 CO -0.01 0.00 -0.30 0.25 0.02 0.00 0.00 177.57 177.53 1l8c h LEU 47 N -0.44 -0.98 -0.62 2.57 7.12 -0.68 0.73 115.31 123.01 1l8c h LEU 47 Ca 0.05 0.17 0.08 0.00 0.13 0.00 0.00 57.88 58.32 1l8c h LEU 47 Cb 0.50 0.46 -0.07 0.00 -0.53 0.00 0.00 40.66 41.02 1l8c h LEU 47 CO -0.20 -0.31 0.27 -1.13 -0.13 0.00 0.00 178.44 176.94 1l8c h ASN 48 N -0.26 0.33 -0.12 1.25 -1.24 -0.99 -2.48 115.58 112.07 1l8c h ASN 48 Ca 0.16 0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.21 1l8c h ASN 48 Cb 0.52 0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.58 1l8c h ASN 48 CO -0.48 0.20 -0.01 -0.74 -1.29 0.00 0.00 177.43 175.10 1l8c h HIS 49 N 0.49 0.24 -0.89 0.67 2.76 -0.91 -3.33 115.15 114.18 1l8c h HIS 49 Ca 0.31 -0.05 0.21 0.00 -2.20 0.00 0.00 60.37 58.64 1l8c h HIS 49 Cb 0.33 -0.06 -0.16 0.00 1.55 0.00 0.00 27.41 29.07 1l8c h HIS 49 CO -0.14 0.49 -0.06 1.98 -1.30 0.00 0.00 177.93 178.90 1l8c h MET 50 N -0.08 0.04 0.09 5.26 4.05 -0.41 0.02 114.93 123.90 1l8c h MET 50 Ca 0.03 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1l8c h MET 50 Cb 0.40 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1l8c h MET 50 CO 0.01 0.02 -0.04 1.79 0.23 0.00 0.00 176.91 178.92 1l8c h THR 51 N 0.04 1.03 -0.30 -0.77 1.35 -1.62 -3.30 112.91 109.35 1l8c h THR 51 Ca 0.48 -0.43 -0.06 0.00 -0.55 0.00 0.00 66.41 65.86 1l8c h THR 51 Cb 0.88 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 1l8c h THR 51 CO -0.84 0.11 -0.04 0.45 -0.25 0.00 0.00 175.52 174.95 1l8c h HIS 52 N -0.31 0.61 -3.06 4.73 3.86 -1.54 -3.44 115.15 116.00 1l8c h HIS 52 Ca -0.01 -0.12 -0.53 0.00 -1.16 0.00 0.00 60.37 58.55 1l8c h HIS 52 Cb 0.26 -0.15 0.05 0.00 1.06 0.00 0.00 27.41 28.63 1l8c h HIS 52 CO -0.01 0.72 0.86 0.00 0.86 0.00 0.00 177.93 180.35 1l8c n GLN 54 N 3.20 1.35 -0.12 0.00 6.02 -1.26 -4.74 117.38 121.82 1l8c n GLN 54 Ca 0.11 -0.43 -0.10 0.00 -0.01 0.00 0.00 57.00 56.57 1l8c n GLN 54 Cb 0.39 -0.90 0.03 0.00 1.02 0.00 0.00 30.24 30.78 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 0.31 0.75 -0.78 -1.58 0.00 -1.97 -3.47 119.26 112.52 1l8c h ALA 55 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1l8c h ALA 55 Cb 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.70 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 -0.12 0.36 0.31 0.00 0.00 -1.26 -1.85 105.19 102.62 1l8c n GLY 56 Ca -0.00 0.69 0.03 0.00 0.00 0.00 0.00 46.02 46.74 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 0.77 0.00 1.61 1.79 -1.93 -2.82 116.57 115.99 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 0.51 0.00 0.00 -1.08 0.00 0.00 179.45 178.88 1l8c h ALA 58 N 1.46 1.00 -2.32 3.86 0.00 -1.76 -3.46 119.26 118.04 1l8c h ALA 58 Ca 0.40 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.76 1l8c h ALA 58 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1l8c h ALA 58 CO -0.25 0.00 1.00 0.00 0.00 0.00 0.00 179.25 180.00 1l8c h GLN 60 N 8.80 0.00 -6.27 0.00 4.20 -1.89 -3.43 115.11 116.52 1l8c h GLN 60 Ca -0.39 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.77 1l8c h GLN 60 Cb 1.18 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.96 1l8c h GLN 60 CO 0.94 0.22 1.18 0.08 -0.67 0.00 0.00 178.83 180.58 1l8c s VAL 61 N -4.08 3.37 0.10 -0.54 1.01 -1.26 -4.94 120.40 114.05 1l8c s VAL 61 Ca -0.02 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1l8c s VAL 61 Cb 0.13 -3.31 -0.12 0.00 0.00 0.00 0.00 36.38 33.07 1l8c s VAL 61 CO 0.64 -0.08 1.48 0.00 0.00 0.00 0.00 175.10 177.15 1l8c h ALA 62 N 10.63 -0.90 -0.73 5.51 0.00 -2.00 -2.49 119.26 129.28 1l8c h ALA 62 Ca -0.42 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.55 1l8c h ALA 62 Cb 1.20 0.90 -0.09 0.00 0.00 0.00 0.00 17.79 19.79 1l8c h ALA 62 CO 0.96 -1.04 0.26 0.45 0.00 0.00 0.00 179.25 179.88 1l8c h HIS 63 N -0.60 0.45 0.07 0.00 3.86 -1.97 -1.10 115.15 115.85 1l8c h HIS 63 Ca 0.01 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1l8c h HIS 63 Cb 0.64 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1l8c h HIS 63 CO -0.50 0.04 -0.08 0.00 0.86 0.00 0.00 177.93 178.25 1l8c h ALA 65 N 0.75 -0.06 -0.04 0.00 0.00 -0.98 -3.22 119.26 115.71 1l8c h ALA 65 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1l8c h ALA 65 Cb 0.17 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1l8c h ALA 65 CO -0.03 -0.54 -0.01 0.66 0.00 0.00 0.00 179.25 179.33 1l8c h SER 66 N -0.07 0.08 -0.98 0.00 4.64 -1.19 -3.33 113.55 112.69 1l8c h SER 66 Ca 0.00 -0.37 0.17 0.00 -0.47 0.00 0.00 61.79 61.12 1l8c h SER 66 Cb 0.07 -0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 62.05 1l8c h SER 66 CO -0.01 0.43 0.61 0.77 -0.87 0.00 0.00 176.83 177.76 1l8c h SER 67 N -0.28 0.75 -0.23 4.97 4.64 -1.06 -1.39 113.55 120.95 1l8c h SER 67 Ca 0.01 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1l8c h SER 67 Cb 0.40 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1l8c h SER 67 CO 0.00 0.31 0.13 0.03 -0.87 0.00 0.00 176.83 176.43 1l8c h ARG 68 N 0.75 0.33 0.02 4.77 3.08 -1.67 -3.10 114.38 118.56 1l8c h ARG 68 Ca 0.54 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.58 1l8c h ARG 68 Cb 0.85 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 1l8c h ARG 68 CO -0.31 0.29 -0.29 0.37 -1.07 0.00 0.00 179.97 178.97 1l8c h GLN 69 N 0.27 -0.43 -0.78 0.04 -0.00 -1.38 -0.29 115.11 112.54 1l8c h GLN 69 Ca 0.08 0.03 0.09 0.00 -0.00 0.00 0.00 58.65 58.85 1l8c h GLN 69 Cb 0.06 0.10 -0.07 0.00 0.00 0.00 0.00 27.48 27.57 1l8c h GLN 69 CO -0.01 -0.28 0.43 -0.84 0.00 0.00 0.00 178.83 178.12 1l8c h ILE 70 N -0.44 0.90 -0.28 2.39 3.07 -1.45 -0.24 117.51 121.46 1l8c h ILE 70 Ca 0.06 -0.25 -0.19 0.00 1.55 0.00 0.00 64.86 66.03 1l8c h ILE 70 Cb 0.52 0.10 0.00 0.00 -0.27 0.00 0.00 36.82 37.18 1l8c h ILE 70 CO -0.23 0.13 -0.57 0.40 -1.05 0.00 0.00 178.15 176.83 1l8c h ILE 71 N 0.73 1.27 -0.48 0.16 1.08 -1.44 -2.19 117.51 116.64 1l8c h ILE 71 Ca 0.38 -1.75 0.08 0.00 -0.39 0.00 0.00 64.86 63.17 1l8c h ILE 71 Cb 0.35 1.66 -0.07 0.00 -3.07 0.00 0.00 36.82 35.69 1l8c h ILE 71 CO -0.25 0.57 0.08 0.28 -0.69 0.00 0.00 178.15 178.14 1l8c h SER 72 N 0.66 -0.03 0.57 1.72 0.02 -0.52 -1.36 113.55 114.60 1l8c h SER 72 Ca 0.01 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1l8c h SER 72 Cb 1.18 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.85 1l8c h SER 72 CO 0.13 0.01 -0.34 -0.74 -1.14 0.00 0.00 176.83 174.75 1l8c h HIS 73 N 0.21 -0.91 -0.69 3.45 -0.00 -0.99 -2.68 115.15 113.54 1l8c h HIS 73 Ca 0.24 -0.01 0.14 0.00 -0.00 0.00 0.00 60.37 60.74 1l8c h HIS 73 Cb 0.32 0.32 -0.10 0.00 -0.00 0.00 0.00 27.41 27.95 1l8c h HIS 73 CO -0.24 -0.51 0.15 2.35 -0.00 0.00 0.00 177.93 179.69 1l8c h TRP 74 N -0.85 0.24 0.11 5.26 7.01 -1.15 0.85 115.95 127.42 1l8c h TRP 74 Ca -0.08 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 1l8c h TRP 74 Cb 0.68 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.74 1l8c h TRP 74 CO -0.03 -0.07 -0.05 -0.22 -2.79 0.00 0.00 178.44 175.28 1l8c h LYS 75 N 0.26 -0.14 -0.25 2.65 3.64 -1.29 -3.28 116.57 118.16 1l8c h LYS 75 Ca 0.38 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.65 1l8c h LYS 75 Cb 0.62 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1l8c h LYS 75 CO -0.48 -0.04 -0.31 -0.91 -2.27 0.00 0.00 179.45 175.44 1l8c h ASN 76 N -0.21 0.71 -2.36 4.20 2.35 -1.10 -3.46 115.58 115.70 1l8c h ASN 76 Ca -0.01 -0.50 -0.58 0.00 -0.55 0.00 0.00 56.30 54.66 1l8c h ASN 76 Cb 0.17 -0.20 0.06 0.00 0.05 0.00 0.00 38.32 38.40 1l8c h ASN 76 CO 0.02 1.06 0.78 0.00 -1.65 0.00 0.00 177.43 177.65 1l8c n THR 78 N 3.18 0.34 -1.70 0.00 5.66 -1.26 -4.95 114.28 115.56 1l8c n THR 78 Ca 0.16 -0.35 -0.42 0.00 -3.05 0.00 0.00 64.05 60.39 1l8c n THR 78 Cb 0.29 0.83 -0.03 0.00 -1.55 0.00 0.00 70.33 69.88 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 -0.34 4.11 0.00 1.09 3.52 -1.26 -4.87 118.95 121.19 1l8c s ARG 79 Ca 0.00 2.56 0.08 0.00 -0.13 0.00 0.00 55.73 58.24 1l8c s ARG 79 Cb 0.00 -4.16 0.46 0.00 -1.56 0.00 0.00 34.95 29.69 1l8c s ARG 79 CO 0.00 -0.99 1.02 0.72 -0.81 0.00 0.00 175.30 175.24 1l8c n HIS 80 N 7.67 0.00 -2.14 5.12 8.25 -1.26 -3.05 115.22 129.81 1l8c n HIS 80 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1l8c n HIS 80 Cb 0.41 -0.12 -0.00 0.00 1.12 0.00 0.00 29.99 31.40 1l8c n HIS 80 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1l8c n ASP 81 N -1.12 0.18 -4.75 0.41 5.75 -1.26 -4.94 116.55 110.82 1l8c n ASP 81 Ca 0.05 -1.84 -0.41 0.00 -0.01 0.00 0.00 54.79 52.58 1l8c n ASP 81 Cb 0.04 -0.15 -0.02 0.00 -1.03 0.00 0.00 41.12 39.97 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 2.20 0.05 0.02 0.00 -0.04 -1.26 -2.80 135.00 133.17 1l8c n PRO 83 Ca 0.08 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1l8c n PRO 83 Cb 0.38 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.18 -0.08 0.52 0.31 -1.26 -4.80 118.33 111.43 1l8c n VAL 84 Ca -0.01 0.06 -0.07 0.00 -0.01 0.00 0.00 64.34 64.32 1l8c n VAL 84 Cb 0.03 -1.25 -0.00 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 -1.21 -1.12 0.00 7.12 -1.77 -0.51 115.31 117.87 1l8c h LEU 86 Ca 0.14 0.10 0.01 0.00 0.13 0.00 0.00 57.88 58.26 1l8c h LEU 86 Cb 0.20 0.40 -0.04 0.00 -0.53 0.00 0.00 40.66 40.69 1l8c h LEU 86 CO -0.26 -0.58 0.57 1.55 -0.13 0.00 0.00 178.44 179.59 1l8c h PRO 87 N -0.87 1.16 -0.43 5.25 0.13 -1.72 -0.66 132.00 134.86 1l8c h PRO 87 Ca -0.05 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1l8c h PRO 87 Cb 0.76 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 1l8c h PRO 87 CO -0.06 0.78 0.27 -0.07 -0.23 0.00 0.00 178.00 178.68 1l8c h LEU 88 N 1.19 0.45 0.53 1.56 3.38 -1.34 -2.72 115.31 118.37 1l8c h LEU 88 Ca 0.32 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1l8c h LEU 88 Cb -0.12 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.53 1l8c h LEU 88 CO -0.07 0.33 -0.26 0.50 0.09 0.00 0.00 178.44 179.03 1l8c h LYS 89 N 0.55 -0.69 -2.79 1.13 3.64 -0.66 -3.43 116.57 114.32 1l8c h LYS 89 Ca 0.16 0.05 -0.35 0.00 -1.27 0.00 0.00 60.65 59.24 1l8c h LYS 89 Cb -0.03 0.16 -0.37 0.00 -0.41 0.00 0.00 32.23 31.57 1l8c h LYS 89 CO -0.06 -0.44 -0.66 1.21 -2.27 0.00 0.00 179.45 177.23 1l8c s ASN 90 N -4.59 1.50 -0.02 4.20 2.47 -0.29 -5.01 114.94 113.20 1l8c s ASN 90 Ca -0.16 -0.21 -0.06 0.00 0.42 0.00 0.00 52.86 52.85 1l8c s ASN 90 Cb 0.04 0.19 -0.02 0.00 -1.45 0.00 0.00 41.25 40.01 1l8c s ASN 90 CO 0.61 -0.32 -0.11 0.00 -3.72 0.00 0.00 177.10 173.56 1l8c n ALA 91 N 5.31 1.97 -2.19 1.71 0.00 -1.03 -4.22 120.51 122.05 1l8c n ALA 91 Ca -0.06 -0.29 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 1l8c n ALA 91 Cb 0.49 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 1l8c n ALA 91 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1l8c s SER 92 N -5.59 7.28 -0.77 0.00 0.01 -1.26 -4.96 113.70 108.40 1l8c s SER 92 Ca -0.09 2.00 -0.25 0.00 1.31 0.00 0.00 55.95 58.92 1l8c s SER 92 Cb 0.01 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.58 1l8c s SER 92 CO 0.14 -0.24 2.07 -0.62 0.41 0.00 0.00 173.24 175.00 1l8c s ASP 93 N 0.17 4.82 0.16 2.44 2.15 -1.26 -4.95 116.67 120.20 1l8c s ASP 93 Ca 0.51 -0.13 -0.30 0.00 0.43 0.00 0.00 52.55 53.06 1l8c s ASP 93 Cb -0.28 -2.55 -0.08 0.00 -0.30 0.00 0.00 42.92 39.71 1l8c s ASP 93 CO 0.33 -2.93 1.31 -0.54 -0.17 0.00 0.00 175.17 173.16 1l8c s LYS 94 N 7.55 4.39 0.00 4.34 -0.14 -1.26 -5.24 119.74 129.38 1l8c s LYS 94 Ca 0.77 2.01 0.00 0.00 -1.36 0.00 0.00 55.97 57.39 1l8c s LYS 94 Cb -0.10 -3.23 0.00 0.00 -1.68 0.00 0.00 37.83 32.82 1l8c s LYS 94 CO 0.08 -0.28 0.06 0.54 -0.76 0.00 0.00 175.35 174.99