#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 -0.16 0.20 0.00 -1.08 -1.26 -5.08 116.67 109.29 1l8c s ASP 2 Ca 0.00 0.34 -0.15 0.00 -0.52 0.00 0.00 52.55 52.22 1l8c s ASP 2 Cb 0.00 0.28 0.20 0.00 -1.46 0.00 0.00 42.92 41.94 1l8c s ASP 2 CO 0.00 -0.11 1.63 -0.65 0.52 0.00 0.00 175.17 176.55 1l8c h PRO 3 N 6.64 -0.04 -0.81 4.34 0.11 -2.06 -2.03 132.00 138.16 1l8c h PRO 3 Ca -0.35 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 1l8c h PRO 3 Cb 1.17 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1l8c h PRO 3 CO 0.41 -0.02 0.35 0.93 -0.21 0.00 0.00 178.00 179.46 1l8c h GLU 4 N -0.04 1.19 -0.99 1.05 5.08 -1.99 -1.87 114.58 117.01 1l8c h GLU 4 Ca 0.28 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1l8c h GLU 4 Cb 0.46 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1l8c h GLU 4 CO -0.62 0.95 0.65 0.87 -1.00 0.00 0.00 179.01 179.86 1l8c h LYS 5 N 1.16 1.24 -0.60 2.33 1.57 -1.84 -0.73 116.57 119.70 1l8c h LYS 5 Ca 0.27 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1l8c h LYS 5 Cb 0.18 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1l8c h LYS 5 CO -0.03 0.82 0.33 -0.09 -0.57 0.00 0.00 179.45 179.91 1l8c h ARG 6 N 1.27 0.84 -0.48 3.15 2.43 -0.78 0.05 114.38 120.87 1l8c h ARG 6 Ca 0.39 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.50 1l8c h ARG 6 Cb -0.04 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.31 1l8c h ARG 6 CO -0.11 0.64 0.23 0.87 -1.51 0.00 0.00 179.97 180.10 1l8c h LYS 7 N 0.82 0.45 -0.09 0.20 1.57 -0.65 0.03 116.57 118.89 1l8c h LYS 7 Ca 0.21 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1l8c h LYS 7 Cb 0.05 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1l8c h LYS 7 CO -0.03 0.30 0.05 -0.07 -0.57 0.00 0.00 179.45 179.13 1l8c h LEU 8 N 0.46 0.11 -0.05 2.94 3.38 -0.85 -0.98 115.31 120.33 1l8c h LEU 8 Ca 0.21 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1l8c h LEU 8 Cb 0.13 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1l8c h LEU 8 CO -0.15 0.16 -0.17 0.40 0.09 0.00 0.00 178.44 178.76 1l8c h ILE 9 N 0.06 0.57 -0.46 1.22 2.04 -0.74 -1.16 117.51 119.05 1l8c h ILE 9 Ca 0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.98 1l8c h ILE 9 Cb 0.06 0.57 -0.10 0.00 -0.74 0.00 0.00 36.82 36.61 1l8c h ILE 9 CO -0.01 0.00 -0.32 1.56 0.00 0.00 0.00 178.15 179.38 1l8c h GLN 10 N -0.26 -0.21 0.09 2.37 4.20 -0.88 0.52 115.11 120.95 1l8c h GLN 10 Ca 0.07 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.82 1l8c h GLN 10 Cb 0.36 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 1l8c h GLN 10 CO -0.20 -0.14 -0.42 0.37 -0.67 0.00 0.00 178.83 177.77 1l8c h GLN 11 N -0.22 -0.61 -0.96 1.46 4.15 -0.80 -2.26 115.11 115.87 1l8c h GLN 11 Ca 0.19 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.71 1l8c h GLN 11 Cb 0.54 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.31 1l8c h GLN 11 CO -0.58 -0.41 0.63 1.96 -1.93 0.00 0.00 178.83 178.50 1l8c h GLN 12 N -0.64 1.12 0.54 1.69 1.08 -0.79 -0.35 115.11 117.77 1l8c h GLN 12 Ca 0.03 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1l8c h GLN 12 Cb 0.67 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1l8c h GLN 12 CO -0.26 0.74 -0.41 1.25 -0.95 0.00 0.00 178.83 179.20 1l8c h LEU 13 N 1.16 -1.09 -0.21 1.46 6.46 -0.61 0.15 115.31 122.63 1l8c h LEU 13 Ca 0.40 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 58.26 1l8c h LEU 13 Cb 0.11 0.34 -0.03 0.00 -0.73 0.00 0.00 40.66 40.35 1l8c h LEU 13 CO -0.14 -0.60 0.05 0.58 -0.62 0.00 0.00 178.44 177.70 1l8c h VAL 14 N -0.93 0.92 -0.04 1.05 2.07 -1.24 -2.38 116.25 115.69 1l8c h VAL 14 Ca -0.06 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1l8c h VAL 14 Cb 0.79 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1l8c h VAL 14 CO 0.01 0.03 -0.11 -0.07 0.02 0.00 0.00 177.57 177.45 1l8c h LEU 15 N 0.14 -0.31 -0.41 2.57 3.38 -0.95 -1.46 115.31 118.27 1l8c h LEU 15 Ca 0.09 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1l8c h LEU 15 Cb 0.08 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1l8c h LEU 15 CO -0.12 -0.15 0.20 0.25 0.09 0.00 0.00 178.44 178.71 1l8c h LEU 16 N -0.16 0.28 0.35 1.67 5.85 -0.87 0.93 115.31 123.37 1l8c h LEU 16 Ca 0.05 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1l8c h LEU 16 Cb 0.23 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1l8c h LEU 16 CO -0.14 0.21 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.84 1l8c h LEU 17 N 0.40 -0.66 -0.17 2.25 3.38 -1.34 -3.06 115.31 116.12 1l8c h LEU 17 Ca 0.17 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1l8c h LEU 17 Cb 0.09 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1l8c h LEU 17 CO -0.13 -0.39 -0.14 -0.74 0.09 0.00 0.00 178.44 177.13 1l8c h HIS 18 N -0.60 -0.35 -0.76 1.13 2.76 -1.08 -2.82 115.15 113.43 1l8c h HIS 18 Ca -0.03 0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.28 1l8c h HIS 18 Cb 0.52 0.18 -0.13 0.00 1.55 0.00 0.00 27.41 29.53 1l8c h HIS 18 CO -0.12 -0.20 -0.39 0.00 -1.30 0.00 0.00 177.93 175.91 1l8c h ALA 19 N 0.96 -0.05 -0.32 5.26 0.00 -0.71 0.19 119.26 124.60 1l8c h ALA 19 Ca 0.11 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1l8c h ALA 19 Cb 0.31 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1l8c h ALA 19 CO -0.26 -0.70 -0.17 1.25 0.00 0.00 0.00 179.25 179.36 1l8c h HIS 20 N -0.11 0.79 -0.18 0.00 6.17 -1.55 -1.56 115.15 118.71 1l8c h HIS 20 Ca 0.26 -0.20 0.04 0.00 0.71 0.00 0.00 60.37 61.18 1l8c h HIS 20 Cb 0.56 -0.18 -0.05 0.00 2.52 0.00 0.00 27.41 30.27 1l8c h HIS 20 CO -0.76 0.91 -0.10 -0.22 0.71 0.00 0.00 177.93 178.47 1l8c h LYS 21 N 0.45 -0.09 0.12 5.26 1.63 -1.01 0.52 116.57 123.45 1l8c h LYS 21 Ca 0.07 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1l8c h LYS 21 Cb 0.71 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.33 1l8c h LYS 21 CO 0.05 -0.06 -0.24 0.00 -3.45 0.00 0.00 179.45 175.75 1l8c h GLN 23 N -0.44 -0.50 -0.21 0.00 4.15 -1.00 -0.83 115.11 116.28 1l8c h GLN 23 Ca 0.03 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.53 1l8c h GLN 23 Cb 0.47 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 1l8c h GLN 23 CO -0.13 -0.33 -0.08 -0.09 -1.93 0.00 0.00 178.83 176.27 1l8c h ARG 24 N -0.51 -0.04 0.03 1.69 9.65 -0.82 -1.33 114.38 123.04 1l8c h ARG 24 Ca 0.05 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.96 1l8c h ARG 24 Cb 0.58 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.12 1l8c h ARG 24 CO -0.24 -0.03 -0.26 -0.09 2.80 0.00 0.00 179.97 182.16 1l8c h ARG 25 N -0.04 -0.39 -0.08 0.20 2.43 -0.94 -0.71 114.38 114.85 1l8c h ARG 25 Ca 0.11 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1l8c h ARG 25 Cb 0.20 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 1l8c h ARG 25 CO -0.24 -0.26 -0.26 1.49 -1.51 0.00 0.00 179.97 179.19 1l8c h GLU 26 N -0.41 -0.34 -0.54 0.20 4.22 -0.96 -0.25 114.58 116.49 1l8c h GLU 26 Ca 0.06 0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.57 1l8c h GLU 26 Cb 0.48 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1l8c h GLU 26 CO -0.21 -0.23 0.27 1.96 -2.18 0.00 0.00 179.01 178.62 1l8c h GLN 27 N -0.36 0.51 0.83 1.92 4.20 -1.09 -2.87 115.11 118.24 1l8c h GLN 27 Ca 0.08 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1l8c h GLN 27 Cb 0.48 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.15 1l8c h GLN 27 CO -0.28 0.34 -0.40 0.00 -0.67 0.00 0.00 178.83 177.82 1l8c h ALA 28 N 1.30 -1.15 -1.55 3.87 0.00 -0.84 -3.45 119.26 117.44 1l8c h ALA 28 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1l8c h ALA 28 Cb 0.16 0.43 -0.24 0.00 0.00 0.00 0.00 17.79 18.14 1l8c h ALA 28 CO -0.17 -1.06 -0.34 1.21 0.00 0.00 0.00 179.25 178.88 1l8c s ASN 29 N -4.14 -0.70 0.00 0.00 3.84 -0.13 -5.10 114.94 108.70 1l8c s ASN 29 Ca -0.16 0.74 0.00 0.00 0.21 0.00 0.00 52.86 53.64 1l8c s ASN 29 Cb 0.02 1.75 0.00 0.00 -0.55 0.00 0.00 41.25 42.46 1l8c s ASN 29 CO 0.49 -0.27 0.00 0.61 -2.79 0.00 0.00 177.10 175.14 1l8c n GLY 30 N 5.41 -0.62 3.08 1.21 0.00 -1.09 -4.38 105.19 108.80 1l8c n GLY 30 Ca -0.04 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 1l8c n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1l8c s GLU 31 N -0.85 0.39 0.24 1.61 2.12 -1.26 -4.99 118.70 115.96 1l8c s GLU 31 Ca 0.00 -0.20 -0.05 0.00 0.36 0.00 0.00 54.97 55.08 1l8c s GLU 31 Cb 0.00 0.17 0.42 0.00 0.26 0.00 0.00 34.13 34.97 1l8c s GLU 31 CO 0.00 -0.08 1.76 0.28 -0.54 0.00 0.00 175.26 176.67 1l8c h VAL 32 N 4.47 0.76 -0.93 3.70 2.07 -2.02 -3.21 116.25 121.09 1l8c h VAL 32 Ca -0.29 -0.19 -0.63 0.00 0.82 0.00 0.00 66.70 66.41 1l8c h VAL 32 Cb 1.20 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 1l8c h VAL 32 CO 0.40 0.10 1.91 -0.60 0.02 0.00 0.00 177.57 179.40 1l8c s ARG 33 N -6.03 3.78 0.00 1.57 3.52 -1.26 -4.48 118.95 116.05 1l8c s ARG 33 Ca -0.12 -1.65 0.00 0.00 -0.13 0.00 0.00 55.73 53.83 1l8c s ARG 33 Cb 0.20 -5.46 0.00 0.00 -1.56 0.00 0.00 34.95 28.13 1l8c s ARG 33 CO 0.77 -2.33 0.00 0.00 -0.81 0.00 0.00 175.30 172.93 1l8c n ALA 34 N 8.88 3.00 -1.77 6.12 0.00 -1.22 -5.12 120.51 130.41 1l8c n ALA 34 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.48 1l8c n ALA 34 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 0.05 0.21 -4.68 0.00 7.64 -1.26 -4.95 113.62 110.63 1l8c n SER 36 Ca 0.04 0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.60 1l8c n SER 36 Cb 0.44 0.81 -0.03 0.00 -1.01 0.00 0.00 64.21 64.42 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 -5.57 4.35 0.24 -3.43 1.02 -1.26 -4.92 118.68 109.12 1l8c s LEU 37 Ca -0.08 2.39 -0.03 0.00 0.02 0.00 0.00 54.13 56.43 1l8c s LEU 37 Cb 0.07 -3.55 0.27 0.00 0.02 0.00 0.00 46.19 43.00 1l8c s LEU 37 CO 0.83 -0.90 1.69 1.55 0.02 0.00 0.00 176.35 179.54 1l8c h PRO 38 N 8.84 0.75 -0.16 1.29 0.13 -2.04 -3.01 132.00 137.79 1l8c h PRO 38 Ca -0.42 -0.26 0.05 0.00 -0.87 0.00 0.00 66.00 64.50 1l8c h PRO 38 Cb 1.19 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1l8c h PRO 38 CO 0.94 0.85 0.13 0.45 -0.23 0.00 0.00 178.00 180.14 1l8c h HIS 39 N 0.67 0.00 -0.66 1.56 3.86 -2.01 -2.84 115.15 115.73 1l8c h HIS 39 Ca 0.11 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.41 1l8c h HIS 39 Cb 0.62 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.02 1l8c h HIS 39 CO 0.03 0.00 0.29 0.00 0.86 0.00 0.00 177.93 179.11 1l8c h ARG 41 N 0.51 0.15 0.01 0.00 2.43 -1.69 0.34 114.38 116.13 1l8c h ARG 41 Ca 0.33 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.50 1l8c h ARG 41 Cb 0.37 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1l8c h ARG 41 CO -0.28 0.10 -0.08 1.15 -1.51 0.00 0.00 179.97 179.35 1l8c h THR 42 N 0.16 0.80 -0.83 0.20 2.02 -1.48 -1.55 112.91 112.23 1l8c h THR 42 Ca 0.13 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.35 1l8c h THR 42 Cb 0.13 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 1l8c h THR 42 CO -0.17 0.00 0.52 0.24 0.37 0.00 0.00 175.52 176.48 1l8c h MET 43 N -0.14 0.95 -0.72 6.66 2.86 -0.80 -0.76 114.93 122.99 1l8c h MET 43 Ca 0.03 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1l8c h MET 43 Cb 0.17 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1l8c h MET 43 CO -0.07 0.63 0.38 0.87 1.06 0.00 0.00 176.91 179.78 1l8c h LYS 44 N 0.98 1.02 -0.26 1.72 1.57 -0.69 0.99 116.57 121.89 1l8c h LYS 44 Ca 0.35 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1l8c h LYS 44 Cb 0.09 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1l8c h LYS 44 CO -0.14 0.77 0.12 -0.91 -0.57 0.00 0.00 179.45 178.72 1l8c h ASN 45 N 1.00 0.35 -0.39 0.86 2.35 -0.80 -2.25 115.58 116.69 1l8c h ASN 45 Ca 0.25 -0.14 0.05 0.00 -0.55 0.00 0.00 56.30 55.91 1l8c h ASN 45 Cb 0.07 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 1l8c h ASN 45 CO -0.04 0.39 0.14 0.58 -1.65 0.00 0.00 177.43 176.85 1l8c h VAL 46 N 0.29 0.89 -0.32 2.81 2.07 -0.92 -2.16 116.25 118.91 1l8c h VAL 46 Ca 0.09 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1l8c h VAL 46 Cb 0.14 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 1l8c h VAL 46 CO -0.01 0.05 -0.15 0.25 0.02 0.00 0.00 177.57 177.74 1l8c h LEU 47 N 0.30 -0.51 -0.31 2.57 7.12 -0.65 -0.51 115.31 123.32 1l8c h LEU 47 Ca 0.18 0.12 0.04 0.00 0.13 0.00 0.00 57.88 58.35 1l8c h LEU 47 Cb 0.16 0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 40.53 1l8c h LEU 47 CO -0.18 -0.18 0.09 -1.13 -0.13 0.00 0.00 178.44 176.91 1l8c h ASN 48 N -0.10 0.08 -0.06 1.25 -1.24 -1.18 -2.89 115.58 111.44 1l8c h ASN 48 Ca 0.16 0.04 0.01 0.00 0.71 0.00 0.00 56.30 57.23 1l8c h ASN 48 Cb 0.35 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 1l8c h ASN 48 CO -0.38 0.08 -0.03 -0.74 -1.29 0.00 0.00 177.43 175.07 1l8c h HIS 49 N 0.22 -0.07 -0.79 0.67 2.76 -0.84 -3.18 115.15 113.93 1l8c h HIS 49 Ca 0.14 0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.50 1l8c h HIS 49 Cb 0.13 0.04 -0.12 0.00 1.55 0.00 0.00 27.41 29.01 1l8c h HIS 49 CO -0.15 -0.05 0.24 0.52 -1.30 0.00 0.00 177.93 177.19 1l8c h MET 50 N -0.02 0.30 -0.36 5.26 2.86 -0.90 0.14 114.93 122.21 1l8c h MET 50 Ca 0.04 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 1l8c h MET 50 Cb 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1l8c h MET 50 CO -0.08 0.20 -0.35 1.79 1.06 0.00 0.00 176.91 179.53 1l8c h THR 51 N 0.31 1.28 0.27 2.22 1.35 -1.53 -3.31 112.91 113.49 1l8c h THR 51 Ca 0.46 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.79 1l8c h THR 51 Cb 0.81 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1l8c h THR 51 CO -0.52 0.50 -0.13 0.45 -0.25 0.00 0.00 175.52 175.57 1l8c h HIS 52 N 0.68 -0.34 -4.04 4.73 3.86 -1.38 -3.45 115.15 115.22 1l8c h HIS 52 Ca 0.07 -0.01 -0.53 0.00 -1.16 0.00 0.00 60.37 58.74 1l8c h HIS 52 Cb 0.91 0.11 0.11 0.00 1.06 0.00 0.00 27.41 29.60 1l8c h HIS 52 CO 0.05 0.02 0.53 0.00 0.86 0.00 0.00 177.93 179.40 1l8c n GLN 54 N -0.98 1.11 -0.02 0.00 6.02 -1.26 -4.84 117.38 117.41 1l8c n GLN 54 Ca 0.10 -0.89 -0.01 0.00 -0.01 0.00 0.00 57.00 56.20 1l8c n GLN 54 Cb 0.47 -0.69 -0.00 0.00 1.02 0.00 0.00 30.24 31.04 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 0.00 0.00 -0.06 -1.58 0.00 -1.95 -3.48 119.26 112.19 1l8c h ALA 55 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1l8c h ALA 55 Cb 0.82 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1l8c h ALA 55 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1l8c n GLY 56 N 1.80 1.32 0.25 0.00 0.00 -1.26 -4.11 105.19 103.18 1l8c n GLY 56 Ca -0.01 0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.53 0.00 1.61 1.79 -1.92 -3.24 116.57 114.28 1l8c h LYS 57 Ca 0.00 0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1l8c h LYS 57 Cb 0.00 0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1l8c h LYS 57 CO 0.00 -0.28 -0.01 0.00 -1.08 0.00 0.00 179.45 178.09 1l8c h ALA 58 N -0.18 1.00 -2.42 3.86 0.00 -1.98 -3.46 119.26 116.07 1l8c h ALA 58 Ca -0.06 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.32 1l8c h ALA 58 Cb 0.50 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.31 1l8c h ALA 58 CO 0.09 0.01 1.12 0.00 0.00 0.00 0.00 179.25 180.47 1l8c h GLN 60 N 9.26 0.00 -6.27 0.00 4.20 -1.89 -3.44 115.11 116.98 1l8c h GLN 60 Ca -0.45 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.70 1l8c h GLN 60 Cb 1.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1l8c h GLN 60 CO 0.94 0.25 1.16 0.08 -0.67 0.00 0.00 178.83 180.59 1l8c s VAL 61 N -4.18 3.44 0.18 -0.54 1.01 -1.26 -4.92 120.40 114.13 1l8c s VAL 61 Ca -0.03 0.52 -0.16 0.00 0.00 0.00 0.00 61.98 62.32 1l8c s VAL 61 Cb 0.14 -3.38 0.14 0.00 0.00 0.00 0.00 36.38 33.28 1l8c s VAL 61 CO 0.66 -0.09 1.65 0.00 0.00 0.00 0.00 175.10 177.33 1l8c h ALA 62 N 10.43 0.32 0.24 5.51 0.00 -1.99 -2.90 119.26 130.86 1l8c h ALA 62 Ca -0.40 0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1l8c h ALA 62 Cb 1.19 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1l8c h ALA 62 CO 0.96 -0.44 -0.46 0.45 0.00 0.00 0.00 179.25 179.76 1l8c h HIS 63 N 0.00 -1.29 -0.20 0.00 3.86 -1.97 -2.35 115.15 113.20 1l8c h HIS 63 Ca 0.23 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.52 1l8c h HIS 63 Cb 0.35 0.53 -0.07 0.00 1.06 0.00 0.00 27.41 29.28 1l8c h HIS 63 CO -0.41 -0.57 -0.37 0.00 0.86 0.00 0.00 177.93 177.44 1l8c h ALA 65 N 0.36 1.15 0.26 0.00 0.00 -1.48 -2.83 119.26 116.72 1l8c h ALA 65 Ca 0.10 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1l8c h ALA 65 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1l8c h ALA 65 CO -0.42 -0.12 -0.13 0.77 0.00 0.00 0.00 179.25 179.35 1l8c h SER 66 N 0.56 -0.30 -0.61 0.00 0.02 -0.84 -3.33 113.55 109.05 1l8c h SER 66 Ca 0.42 -0.16 0.11 0.00 -0.84 0.00 0.00 61.79 61.32 1l8c h SER 66 Cb 0.59 0.08 -0.09 0.00 0.14 0.00 0.00 62.40 63.12 1l8c h SER 66 CO -0.36 0.20 0.15 0.77 -1.14 0.00 0.00 176.83 176.46 1l8c h SER 67 N -1.00 0.05 -0.70 3.07 4.64 -0.71 -1.27 113.55 117.62 1l8c h SER 67 Ca -0.04 0.11 0.06 0.00 -0.47 0.00 0.00 61.79 61.46 1l8c h SER 67 Cb 0.44 0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.61 1l8c h SER 67 CO 0.06 0.03 0.39 0.03 -0.87 0.00 0.00 176.83 176.47 1l8c h ARG 68 N 0.29 0.69 0.60 4.77 3.08 -1.68 -2.66 114.38 119.46 1l8c h ARG 68 Ca 0.32 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 1l8c h ARG 68 Cb 0.47 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.37 1l8c h ARG 68 CO -0.39 0.46 -0.29 0.37 -1.07 0.00 0.00 179.97 179.05 1l8c h GLN 69 N 0.71 -0.77 -0.81 0.04 -0.00 -1.37 -0.83 115.11 112.07 1l8c h GLN 69 Ca 0.32 0.05 0.12 0.00 -0.00 0.00 0.00 58.65 59.14 1l8c h GLN 69 Cb 0.21 0.18 -0.08 0.00 0.00 0.00 0.00 27.48 27.79 1l8c h GLN 69 CO -0.19 -0.49 0.43 -0.84 0.00 0.00 0.00 178.83 177.73 1l8c h ILE 70 N -0.86 0.82 -0.32 2.39 3.07 -1.26 -0.54 117.51 120.82 1l8c h ILE 70 Ca -0.08 -0.23 -0.17 0.00 1.55 0.00 0.00 64.86 65.93 1l8c h ILE 70 Cb 0.64 0.08 -0.00 0.00 -0.27 0.00 0.00 36.82 37.26 1l8c h ILE 70 CO 0.13 0.12 -0.47 0.40 -1.05 0.00 0.00 178.15 177.29 1l8c h ILE 71 N 0.68 1.28 -0.52 0.16 1.08 -1.47 -2.59 117.51 116.13 1l8c h ILE 71 Ca 0.42 -1.66 0.09 0.00 -0.39 0.00 0.00 64.86 63.32 1l8c h ILE 71 Cb 0.49 1.53 -0.07 0.00 -3.07 0.00 0.00 36.82 35.70 1l8c h ILE 71 CO -0.30 0.54 0.10 0.28 -0.69 0.00 0.00 178.15 178.08 1l8c h SER 72 N 0.67 -0.00 0.46 1.72 0.02 -0.19 -0.33 113.55 115.89 1l8c h SER 72 Ca 0.04 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1l8c h SER 72 Cb 1.06 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1l8c h SER 72 CO 0.11 0.02 -0.33 -0.74 -1.14 0.00 0.00 176.83 174.75 1l8c h HIS 73 N 0.24 -0.89 -0.93 3.45 -0.00 -1.06 -2.21 115.15 113.75 1l8c h HIS 73 Ca 0.26 -0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.75 1l8c h HIS 73 Cb 0.36 0.33 -0.09 0.00 -0.00 0.00 0.00 27.41 28.01 1l8c h HIS 73 CO -0.23 -0.47 0.55 2.35 -0.00 0.00 0.00 177.93 180.13 1l8c h TRP 74 N -0.75 0.99 -0.16 5.26 7.01 -1.23 0.92 115.95 128.01 1l8c h TRP 74 Ca -0.06 0.03 0.02 0.00 2.11 0.00 0.00 58.89 60.99 1l8c h TRP 74 Cb 0.62 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.35 1l8c h TRP 74 CO -0.09 0.35 0.04 -0.22 -2.79 0.00 0.00 178.44 175.74 1l8c h LYS 75 N 0.85 0.11 0.02 2.65 1.63 -1.04 -3.29 116.57 117.49 1l8c h LYS 75 Ca 0.47 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 60.13 1l8c h LYS 75 Cb 0.53 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1l8c h LYS 75 CO -0.29 0.07 -0.55 -0.91 -3.45 0.00 0.00 179.45 174.32 1l8c h ASN 76 N 0.11 0.46 -2.75 4.20 2.35 -0.81 -3.47 115.58 115.68 1l8c h ASN 76 Ca 0.07 -0.79 -0.56 0.00 -0.55 0.00 0.00 56.30 54.47 1l8c h ASN 76 Cb 0.05 -0.14 0.07 0.00 0.05 0.00 0.00 38.32 38.35 1l8c h ASN 76 CO -0.08 1.19 0.81 0.00 -1.65 0.00 0.00 177.43 177.71 1l8c n THR 78 N 2.74 0.18 -1.65 0.00 -2.24 -1.26 -4.95 114.28 107.10 1l8c n THR 78 Ca 0.13 -0.35 -0.44 0.00 -2.27 0.00 0.00 64.05 61.12 1l8c n THR 78 Cb 0.33 1.23 -0.04 0.00 -2.10 0.00 0.00 70.33 69.75 1l8c n THR 78 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1l8c n ARG 79 N -0.09 2.51 0.00 -0.78 0.63 -1.26 -4.88 116.66 112.80 1l8c n ARG 79 Ca 0.00 0.89 0.05 0.00 -0.92 0.00 0.00 57.85 57.87 1l8c n ARG 79 Cb 0.21 -2.94 0.27 0.00 0.45 0.00 0.00 32.46 30.45 1l8c n ARG 79 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1l8c n HIS 80 N 8.04 0.00 -2.01 -0.14 8.25 -1.26 -3.13 115.22 124.97 1l8c n HIS 80 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1l8c n HIS 80 Cb 0.38 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.84 0.01 -4.76 0.41 5.75 -1.26 -4.93 116.55 110.93 1l8c n ASP 81 Ca 0.07 -1.69 -0.41 0.00 -0.01 0.00 0.00 54.79 52.74 1l8c n ASP 81 Cb 0.03 -0.14 -0.01 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 1.44 0.13 0.01 0.00 -0.04 -1.26 -2.83 135.00 132.45 1l8c n PRO 83 Ca 0.05 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1l8c n PRO 83 Cb 0.39 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 -2.23 0.22 -0.13 0.52 0.31 -1.26 -4.78 118.33 110.98 1l8c n VAL 84 Ca -0.01 0.07 -0.04 0.00 -0.01 0.00 0.00 64.34 64.35 1l8c n VAL 84 Cb 0.10 -1.33 0.04 0.00 -0.91 0.00 0.00 33.84 31.73 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 0.15 -0.92 -1.26 0.00 7.12 -1.76 -0.85 115.31 117.79 1l8c h LEU 86 Ca 0.21 0.07 0.07 0.00 0.13 0.00 0.00 57.88 58.36 1l8c h LEU 86 Cb 0.28 0.30 -0.05 0.00 -0.53 0.00 0.00 40.66 40.66 1l8c h LEU 86 CO -0.31 -0.45 0.54 1.55 -0.13 0.00 0.00 178.44 179.64 1l8c h PRO 87 N -0.67 0.87 -0.45 5.25 0.13 -1.67 -0.92 132.00 134.54 1l8c h PRO 87 Ca -0.04 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1l8c h PRO 87 Cb 0.58 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 1l8c h PRO 87 CO -0.04 0.57 0.25 -0.07 -0.23 0.00 0.00 178.00 178.49 1l8c h LEU 88 N 0.89 0.57 0.60 1.56 3.38 -1.36 -3.16 115.31 117.79 1l8c h LEU 88 Ca 0.35 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1l8c h LEU 88 Cb 0.24 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1l8c h LEU 88 CO -0.13 0.49 -0.29 0.50 0.09 0.00 0.00 178.44 179.11 1l8c h LYS 89 N 0.60 -0.78 -2.83 1.13 3.11 -0.44 -3.45 116.57 113.91 1l8c h LYS 89 Ca 0.16 0.05 -0.14 0.00 -2.81 0.00 0.00 60.65 57.92 1l8c h LYS 89 Cb 0.05 0.18 -0.26 0.00 -1.00 0.00 0.00 32.23 31.20 1l8c h LYS 89 CO -0.03 -0.51 -0.32 0.54 -2.81 0.00 0.00 179.45 176.33 1l8c s ASN 90 N -4.50 -0.40 0.00 4.20 4.22 -0.41 -5.09 114.94 112.96 1l8c s ASN 90 Ca -0.17 0.74 0.00 0.00 -2.14 0.00 0.00 52.86 51.29 1l8c s ASN 90 Cb 0.03 0.70 0.00 0.00 1.28 0.00 0.00 41.25 43.27 1l8c s ASN 90 CO 0.61 -0.15 0.00 0.00 -2.04 0.00 0.00 177.10 175.53 1l8c n ALA 91 N 3.38 2.87 -2.89 3.54 0.00 -1.22 -3.91 120.51 122.28 1l8c n ALA 91 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1l8c n ALA 91 Cb 0.56 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.73 0.23 0.18 0.00 0.01 -1.26 -5.12 113.70 104.01 1l8c s SER 92 Ca 0.00 -0.51 -0.31 0.00 1.31 0.00 0.00 55.95 56.45 1l8c s SER 92 Cb 0.00 0.14 -0.09 0.00 0.21 0.00 0.00 66.02 66.28 1l8c s SER 92 CO 0.00 -0.36 1.43 -0.62 0.41 0.00 0.00 173.24 174.10 1l8c s ASP 93 N -1.65 6.74 0.03 2.44 2.15 -1.26 -5.04 116.67 120.08 1l8c s ASP 93 Ca -0.13 2.50 0.01 0.00 0.43 0.00 0.00 52.55 55.37 1l8c s ASP 93 Cb -0.07 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 39.93 1l8c s ASP 93 CO -0.02 -0.68 -0.05 -0.54 -0.17 0.00 0.00 175.17 173.71 1l8c s LYS 94 N 0.45 0.40 0.00 4.34 -0.14 -1.26 -5.32 119.74 118.21 1l8c s LYS 94 Ca 0.63 -0.59 0.06 0.00 -1.36 0.00 0.00 55.97 54.71 1l8c s LYS 94 Cb -0.40 -0.14 0.36 0.00 -1.68 0.00 0.00 37.83 35.97 1l8c s LYS 94 CO 0.36 0.02 0.82 0.54 -0.76 0.00 0.00 175.35 176.32