#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 -0.14 0.21 0.00 -1.08 -1.26 -5.08 116.67 109.33 1l8c s ASP 2 Ca 0.00 0.31 -0.12 0.00 -0.52 0.00 0.00 52.55 52.21 1l8c s ASP 2 Cb 0.00 0.25 0.27 0.00 -1.46 0.00 0.00 42.92 41.98 1l8c s ASP 2 CO 0.00 -0.10 1.64 -0.65 0.52 0.00 0.00 175.17 176.58 1l8c h PRO 3 N 6.60 0.05 -0.75 4.34 0.11 -2.06 -1.83 132.00 138.46 1l8c h PRO 3 Ca -0.34 -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 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1l8c h PRO 3 CO 0.42 0.03 0.29 0.93 -0.21 0.00 0.00 178.00 179.46 1l8c h GLU 4 N 0.05 1.12 -0.89 1.05 5.08 -1.99 -1.53 114.58 117.46 1l8c h GLU 4 Ca 0.32 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1l8c h GLU 4 Cb 0.50 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1l8c h GLU 4 CO -0.60 0.92 0.59 0.87 -1.00 0.00 0.00 179.01 179.79 1l8c h LYS 5 N 1.08 1.14 -0.32 2.33 1.57 -1.84 -1.04 116.57 119.49 1l8c h LYS 5 Ca 0.25 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1l8c h LYS 5 Cb 0.22 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1l8c h LYS 5 CO -0.02 0.76 0.16 0.00 -0.57 0.00 0.00 179.45 179.78 1l8c h ARG 6 N 1.18 0.46 -0.43 3.15 3.08 -0.73 0.19 114.38 121.28 1l8c h ARG 6 Ca 0.33 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.40 1l8c h ARG 6 Cb -0.10 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 29.80 1l8c h ARG 6 CO -0.08 0.41 0.04 0.87 -1.07 0.00 0.00 179.97 180.14 1l8c h LYS 7 N 0.39 0.15 0.09 0.04 1.57 -0.70 0.46 116.57 118.57 1l8c h LYS 7 Ca 0.11 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1l8c h LYS 7 Cb 0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1l8c h LYS 7 CO -0.02 0.10 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.81 1l8c h LEU 8 N 0.15 -0.23 -0.17 2.94 3.38 -1.00 -1.30 115.31 119.09 1l8c h LEU 8 Ca 0.21 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.25 1l8c h LEU 8 Cb 0.29 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1l8c h LEU 8 CO -0.32 -0.14 -0.12 0.40 0.09 0.00 0.00 178.44 178.35 1l8c h ILE 9 N -0.20 0.64 -0.28 1.22 2.04 -0.54 -1.24 117.51 119.15 1l8c h ILE 9 Ca 0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1l8c h ILE 9 Cb 0.19 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 36.84 1l8c h ILE 9 CO -0.03 0.00 -0.18 1.56 0.00 0.00 0.00 178.15 179.50 1l8c h GLN 10 N -0.13 -0.16 -0.03 2.37 4.20 -0.79 0.76 115.11 121.34 1l8c h GLN 10 Ca 0.10 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.86 1l8c h GLN 10 Cb 0.28 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1l8c h GLN 10 CO -0.25 -0.10 -0.29 0.37 -0.67 0.00 0.00 178.83 177.89 1l8c h GLN 11 N -0.16 -0.40 -0.86 1.46 4.15 -0.90 -1.76 115.11 116.63 1l8c h GLN 11 Ca 0.15 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1l8c h GLN 11 Cb 0.39 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 1l8c h GLN 11 CO -0.38 -0.27 0.51 1.96 -1.93 0.00 0.00 178.83 178.72 1l8c h GLN 12 N -0.42 1.17 0.11 1.69 1.08 -0.88 -1.30 115.11 116.56 1l8c h GLN 12 Ca 0.07 -0.11 0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1l8c h GLN 12 Cb 0.52 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 1l8c h GLN 12 CO -0.26 0.82 -0.25 1.25 -0.95 0.00 0.00 178.83 179.44 1l8c h LEU 13 N 1.19 -0.72 0.13 1.46 6.46 -0.49 0.37 115.31 123.70 1l8c h LEU 13 Ca 0.31 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 58.17 1l8c h LEU 13 Cb -0.04 0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 1l8c h LEU 13 CO -0.06 -0.34 -0.23 0.58 -0.62 0.00 0.00 178.44 177.77 1l8c h VAL 14 N -0.46 0.49 -0.50 1.05 2.07 -1.11 -2.18 116.25 115.62 1l8c h VAL 14 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1l8c h VAL 14 Cb 0.48 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1l8c h VAL 14 CO -0.15 0.00 0.21 -0.07 0.02 0.00 0.00 177.57 177.59 1l8c h LEU 15 N -0.43 0.27 -0.19 2.57 3.38 -1.04 -1.17 115.31 118.70 1l8c h LEU 15 Ca 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1l8c h LEU 15 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1l8c h LEU 15 CO -0.12 0.19 0.10 0.25 0.09 0.00 0.00 178.44 178.95 1l8c h LEU 16 N 0.42 0.23 0.02 1.67 5.85 -0.79 0.15 115.31 122.87 1l8c h LEU 16 Ca 0.23 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1l8c h LEU 16 Cb 0.20 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1l8c h LEU 16 CO -0.20 0.25 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.94 1l8c h LEU 17 N 0.19 -0.40 0.05 2.25 4.07 -1.28 -2.98 115.31 117.22 1l8c h LEU 17 Ca 0.07 0.06 0.03 0.00 0.08 0.00 0.00 57.88 58.11 1l8c h LEU 17 Cb 0.07 0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 1l8c h LEU 17 CO -0.01 -0.20 -0.26 -0.74 -1.08 0.00 0.00 178.44 176.15 1l8c h HIS 18 N -0.24 -0.70 -0.91 1.13 2.76 -1.07 -3.10 115.15 113.01 1l8c h HIS 18 Ca 0.04 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.34 1l8c h HIS 18 Cb 0.29 0.30 -0.13 0.00 1.55 0.00 0.00 27.41 29.42 1l8c h HIS 18 CO -0.18 -0.36 -0.49 0.00 -1.30 0.00 0.00 177.93 175.60 1l8c h ALA 19 N 0.35 -0.27 -0.35 5.26 0.00 -0.54 0.11 119.26 123.83 1l8c h ALA 19 Ca 0.05 0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1l8c h ALA 19 Cb 0.49 1.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1l8c h ALA 19 CO -0.20 -0.83 -0.36 1.25 0.00 0.00 0.00 179.25 179.12 1l8c h HIS 20 N -0.05 1.03 -0.41 0.00 6.17 -1.60 0.12 115.15 120.40 1l8c h HIS 20 Ca 0.23 -0.31 0.06 0.00 0.71 0.00 0.00 60.37 61.05 1l8c h HIS 20 Cb 0.51 -0.22 -0.05 0.00 2.52 0.00 0.00 27.41 30.17 1l8c h HIS 20 CO -0.91 1.11 0.12 -0.22 0.71 0.00 0.00 177.93 178.74 1l8c h LYS 21 N 0.65 0.26 -0.76 5.26 3.64 -1.30 -1.20 116.57 123.11 1l8c h LYS 21 Ca 0.05 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1l8c h LYS 21 Cb 0.94 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1l8c h LYS 21 CO 0.09 0.17 0.36 0.00 -2.27 0.00 0.00 179.45 177.80 1l8c h GLN 23 N 1.07 0.93 -0.29 0.00 4.15 -0.05 1.00 115.11 121.92 1l8c h GLN 23 Ca 0.26 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 1l8c h GLN 23 Cb 0.13 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1l8c h GLN 23 CO -0.03 0.62 0.09 -0.09 -1.93 0.00 0.00 178.83 177.48 1l8c h ARG 24 N 0.96 0.45 -0.17 1.69 9.65 -1.01 -2.25 114.38 123.70 1l8c h ARG 24 Ca 0.36 -0.10 0.03 0.00 -1.10 0.00 0.00 59.98 59.18 1l8c h ARG 24 Cb 0.15 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 1l8c h ARG 24 CO -0.17 0.51 -0.03 -0.09 2.80 0.00 0.00 179.97 182.98 1l8c h ARG 25 N 0.31 0.01 -0.23 0.20 2.43 -1.09 -1.74 114.38 114.27 1l8c h ARG 25 Ca 0.09 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1l8c h ARG 25 Cb 0.24 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 1l8c h ARG 25 CO -0.00 0.01 -0.16 1.49 -1.51 0.00 0.00 179.97 179.79 1l8c h GLU 26 N 0.01 -0.15 -0.52 0.20 4.81 -0.76 -0.37 114.58 117.81 1l8c h GLU 26 Ca 0.08 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1l8c h GLU 26 Cb 0.12 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1l8c h GLU 26 CO -0.17 -0.10 0.30 1.96 -0.73 0.00 0.00 179.01 180.27 1l8c h GLN 27 N -0.16 0.58 0.05 1.92 4.20 -1.23 0.42 115.11 120.89 1l8c h GLN 27 Ca 0.13 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1l8c h GLN 27 Cb 0.35 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1l8c h GLN 27 CO -0.33 0.39 -0.02 0.00 -0.67 0.00 0.00 178.83 178.20 1l8c h ALA 28 N 1.24 -0.06 0.60 3.87 0.00 -0.86 -3.26 119.26 120.78 1l8c h ALA 28 Ca 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1l8c h ALA 28 Cb 0.04 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1l8c h ALA 28 CO -0.10 -0.54 -0.29 -0.97 0.00 0.00 0.00 179.25 177.35 1l8c h ASN 29 N -0.06 -0.68 0.00 0.00 -1.24 -0.96 -3.50 115.58 109.14 1l8c h ASN 29 Ca -0.01 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1l8c h ASN 29 Cb 0.05 0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.27 1l8c h ASN 29 CO 0.01 -0.43 0.00 0.61 -1.29 0.00 0.00 177.43 176.33 1l8c n GLY 30 N -1.23 4.57 3.59 1.57 0.00 0.13 -5.07 105.19 108.74 1l8c n GLY 30 Ca -0.13 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1l8c n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1l8c s GLU 31 N -4.92 3.23 0.13 1.61 2.02 -1.25 -4.70 118.70 114.83 1l8c s GLU 31 Ca 0.00 1.07 0.00 0.00 0.02 0.00 0.00 54.97 56.06 1l8c s GLU 31 Cb 0.00 -4.20 0.00 0.00 0.10 0.00 0.00 34.13 30.03 1l8c s GLU 31 CO 0.00 -1.99 0.00 0.28 0.02 0.00 0.00 175.26 173.57 1l8c n VAL 32 N 7.26 0.35 -4.03 2.63 0.31 -1.26 -5.11 118.33 118.48 1l8c n VAL 32 Ca 0.20 0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.52 1l8c n VAL 32 Cb 0.48 -0.79 -0.12 0.00 -0.91 0.00 0.00 33.84 32.50 1l8c n VAL 32 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1l8c s ARG 33 N -1.63 0.36 0.00 5.55 1.81 -1.26 -5.13 118.95 118.65 1l8c s ARG 33 Ca 0.00 -0.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 1l8c s ARG 33 Cb 0.00 -0.17 0.00 0.00 -0.45 0.00 0.00 34.95 34.33 1l8c s ARG 33 CO 0.00 0.03 0.54 0.00 -0.68 0.00 0.00 175.30 175.19 1l8c n ALA 34 N 2.13 -0.16 -4.06 2.13 0.00 -1.26 -5.01 120.51 114.27 1l8c n ALA 34 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 1l8c n ALA 34 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1l8c n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8c h SER 36 N 2.04 0.45 -2.94 0.00 0.02 -2.03 -3.44 113.55 107.65 1l8c h SER 36 Ca -0.28 -0.61 -0.53 0.00 -0.84 0.00 0.00 61.79 59.52 1l8c h SER 36 Cb 1.23 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.65 1l8c h SER 36 CO 0.38 0.99 0.79 -0.76 -1.14 0.00 0.00 176.83 177.09 1l8c s LEU 37 N -8.75 4.35 0.32 5.07 1.02 -1.26 -4.93 118.68 114.50 1l8c s LEU 37 Ca -0.14 2.27 0.05 0.00 0.02 0.00 0.00 54.13 56.33 1l8c s LEU 37 Cb 0.04 -3.57 0.55 0.00 0.02 0.00 0.00 46.19 43.23 1l8c s LEU 37 CO 0.78 -0.70 1.81 1.55 0.02 0.00 0.00 176.35 179.81 1l8c h PRO 38 N 7.33 0.41 -0.50 1.29 0.13 -2.04 -2.93 132.00 135.69 1l8c h PRO 38 Ca -0.41 -0.12 0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1l8c h PRO 38 Cb 1.20 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1l8c h PRO 38 CO 0.88 0.57 0.33 0.45 -0.23 0.00 0.00 178.00 180.01 1l8c h HIS 39 N 0.37 0.56 -0.38 1.56 3.86 -1.98 -3.04 115.15 116.11 1l8c h HIS 39 Ca 0.07 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.36 1l8c h HIS 39 Cb 0.52 -0.19 -0.07 0.00 1.06 0.00 0.00 27.41 28.74 1l8c h HIS 39 CO 0.01 0.34 -0.04 0.00 0.86 0.00 0.00 177.93 179.10 1l8c h ARG 41 N 0.06 0.02 0.22 0.00 2.43 -1.69 0.26 114.38 115.67 1l8c h ARG 41 Ca 0.19 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1l8c h ARG 41 Cb 0.28 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1l8c h ARG 41 CO -0.35 0.01 -0.14 1.15 -1.51 0.00 0.00 179.97 179.13 1l8c h THR 42 N 0.02 0.69 -0.88 0.20 2.02 -1.42 -1.34 112.91 112.20 1l8c h THR 42 Ca 0.21 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.44 1l8c h THR 42 Cb 0.31 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 1l8c h THR 42 CO -0.42 0.00 0.58 0.24 0.37 0.00 0.00 175.52 176.28 1l8c h MET 43 N -0.36 0.99 -0.75 6.66 2.86 -0.67 -0.46 114.93 123.21 1l8c h MET 43 Ca -0.02 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1l8c h MET 43 Cb 0.30 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1l8c h MET 43 CO 0.01 0.65 0.31 0.87 1.06 0.00 0.00 176.91 179.81 1l8c h LYS 44 N 1.02 1.12 -0.21 1.72 1.57 -0.68 0.73 116.57 121.84 1l8c h LYS 44 Ca 0.37 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1l8c h LYS 44 Cb 0.16 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1l8c h LYS 44 CO -0.13 0.91 0.09 -0.91 -0.57 0.00 0.00 179.45 178.83 1l8c h ASN 45 N 1.08 0.28 -0.23 0.86 2.35 -0.53 -0.79 115.58 118.60 1l8c h ASN 45 Ca 0.25 -0.16 0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1l8c h ASN 45 Cb 0.20 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 1l8c h ASN 45 CO -0.02 0.37 -0.07 0.58 -1.65 0.00 0.00 177.43 176.64 1l8c h VAL 46 N 0.19 0.75 0.13 2.81 2.07 -0.93 -1.34 116.25 119.93 1l8c h VAL 46 Ca 0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1l8c h VAL 46 Cb 0.17 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1l8c h VAL 46 CO -0.01 0.00 -0.39 0.25 0.02 0.00 0.00 177.57 177.45 1l8c h LEU 47 N -0.01 -1.13 -0.69 2.57 7.12 -0.74 -0.61 115.31 121.81 1l8c h LEU 47 Ca 0.11 0.13 0.13 0.00 0.13 0.00 0.00 57.88 58.38 1l8c h LEU 47 Cb 0.18 0.42 -0.09 0.00 -0.53 0.00 0.00 40.66 40.65 1l8c h LEU 47 CO -0.25 -0.47 0.22 -1.13 -0.13 0.00 0.00 178.44 176.69 1l8c h ASN 48 N -0.63 0.15 0.39 1.25 -1.24 -0.92 -2.47 115.58 112.11 1l8c h ASN 48 Ca 0.02 0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.12 1l8c h ASN 48 Cb 0.65 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.82 1l8c h ASN 48 CO -0.22 0.06 -0.19 -0.74 -1.29 0.00 0.00 177.43 175.06 1l8c h HIS 49 N 0.36 -0.48 -0.04 0.67 2.76 -0.94 -3.29 115.15 114.19 1l8c h HIS 49 Ca 0.37 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.54 1l8c h HIS 49 Cb 0.55 0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.67 1l8c h HIS 49 CO -0.20 -0.22 0.05 0.00 -1.30 0.00 0.00 177.93 176.25 1l8c h MET 50 N -0.67 0.00 -0.30 5.26 -0.00 -0.67 -0.63 114.93 117.92 1l8c h MET 50 Ca -0.05 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.47 1l8c h MET 50 Cb 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.08 1l8c h MET 50 CO 0.09 0.00 -0.51 1.79 -0.00 0.00 0.00 176.91 178.28 1l8c h THR 51 N 0.00 1.28 0.20 -0.10 1.35 -1.55 -3.34 112.91 110.75 1l8c h THR 51 Ca 0.02 -1.69 -0.01 0.00 -0.55 0.00 0.00 66.41 64.18 1l8c h THR 51 Cb 0.11 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1l8c h THR 51 CO -0.00 0.55 -0.10 0.45 -0.25 0.00 0.00 175.52 176.18 1l8c h HIS 52 N 0.67 -0.25 -4.04 4.73 3.86 -1.48 -3.45 115.15 115.18 1l8c h HIS 52 Ca 0.03 -0.01 -0.54 0.00 -1.16 0.00 0.00 60.37 58.69 1l8c h HIS 52 Cb 1.10 0.08 0.12 0.00 1.06 0.00 0.00 27.41 29.78 1l8c h HIS 52 CO 0.07 0.11 0.58 0.00 0.86 0.00 0.00 177.93 179.55 1l8c n GLN 54 N -0.96 0.42 0.17 0.00 6.02 -1.26 -4.79 117.38 116.98 1l8c n GLN 54 Ca 0.10 -0.19 -0.07 0.00 -0.01 0.00 0.00 57.00 56.83 1l8c n GLN 54 Cb 0.46 -0.63 -0.03 0.00 1.02 0.00 0.00 30.24 31.05 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 -0.66 -0.15 -1.58 0.00 -1.96 -3.47 119.26 111.44 1l8c h ALA 55 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1l8c h ALA 55 Cb 0.20 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1l8c h ALA 55 CO 0.00 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 179.03 1l8c n GLY 56 N 0.09 0.93 0.22 0.00 0.00 -1.26 -3.99 105.19 101.19 1l8c n GLY 56 Ca -0.06 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.43 0.00 1.61 1.79 -1.91 -3.18 116.57 114.46 1l8c h LYS 57 Ca 0.00 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1l8c h LYS 57 Cb 0.00 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1l8c h LYS 57 CO 0.00 -0.29 -0.13 0.00 -1.08 0.00 0.00 179.45 177.95 1l8c h ALA 58 N 0.25 0.93 -2.43 3.86 0.00 -1.98 -3.46 119.26 116.43 1l8c h ALA 58 Ca -0.03 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.35 1l8c h ALA 58 Cb 0.37 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.19 1l8c h ALA 58 CO 0.03 0.00 1.15 0.00 0.00 0.00 0.00 179.25 180.43 1l8c h GLN 60 N 9.40 0.00 -6.26 0.00 1.08 -1.89 -3.43 115.11 114.00 1l8c h GLN 60 Ca -0.47 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.17 1l8c h GLN 60 Cb 1.22 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.63 1l8c h GLN 60 CO 0.94 0.16 1.17 0.08 -0.95 0.00 0.00 178.83 180.23 1l8c s VAL 61 N -3.99 3.56 0.19 -0.54 1.01 -1.26 -4.92 120.40 114.45 1l8c s VAL 61 Ca -0.02 0.64 -0.18 0.00 0.00 0.00 0.00 61.98 62.42 1l8c s VAL 61 Cb 0.12 -3.57 0.15 0.00 0.00 0.00 0.00 36.38 33.08 1l8c s VAL 61 CO 0.60 -0.23 1.62 0.00 0.00 0.00 0.00 175.10 177.09 1l8c h ALA 62 N 11.07 0.15 -0.55 5.51 0.00 -1.99 -2.59 119.26 130.86 1l8c h ALA 62 Ca -0.36 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1l8c h ALA 62 Cb 1.17 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1l8c h ALA 62 CO 0.99 -0.55 0.36 0.45 0.00 0.00 0.00 179.25 180.49 1l8c h HIS 63 N -0.10 0.69 0.26 0.00 3.86 -1.96 -2.05 115.15 115.84 1l8c h HIS 63 Ca 0.24 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.47 1l8c h HIS 63 Cb 0.48 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 1l8c h HIS 63 CO -0.51 0.44 -0.32 0.00 0.86 0.00 0.00 177.93 178.39 1l8c h ALA 65 N -0.07 0.77 0.47 0.00 0.00 -1.46 -2.96 119.26 116.01 1l8c h ALA 65 Ca -0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1l8c h ALA 65 Cb 0.60 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1l8c h ALA 65 CO -0.10 -0.26 -0.23 0.77 0.00 0.00 0.00 179.25 179.43 1l8c h SER 66 N 0.32 -0.54 -0.57 0.00 0.02 -1.12 -3.30 113.55 108.36 1l8c h SER 66 Ca 0.32 -0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.36 1l8c h SER 66 Cb 0.46 0.14 -0.10 0.00 0.14 0.00 0.00 62.40 63.04 1l8c h SER 66 CO -0.38 -0.12 -0.06 0.77 -1.14 0.00 0.00 176.83 175.90 1l8c h SER 67 N -1.11 -0.37 -0.32 3.07 4.64 -0.80 -1.35 113.55 117.31 1l8c h SER 67 Ca -0.06 0.15 0.07 0.00 -0.47 0.00 0.00 61.79 61.48 1l8c h SER 67 Cb 0.54 0.30 -0.07 0.00 -0.31 0.00 0.00 62.40 62.85 1l8c h SER 67 CO 0.11 -0.14 -0.18 0.03 -0.87 0.00 0.00 176.83 175.77 1l8c h ARG 68 N 0.06 -0.14 0.06 4.77 3.08 -1.68 -2.53 114.38 118.00 1l8c h ARG 68 Ca 0.29 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.37 1l8c h ARG 68 Cb 0.46 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1l8c h ARG 68 CO -0.53 -0.09 -0.31 0.37 -1.07 0.00 0.00 179.97 178.34 1l8c h GLN 69 N -0.14 -0.47 -0.72 0.04 -0.00 -1.35 0.15 115.11 112.61 1l8c h GLN 69 Ca 0.16 0.03 0.08 0.00 -0.00 0.00 0.00 58.65 58.92 1l8c h GLN 69 Cb 0.39 0.11 -0.06 0.00 0.00 0.00 0.00 27.48 27.92 1l8c h GLN 69 CO -0.40 -0.32 0.39 -0.84 0.00 0.00 0.00 178.83 177.66 1l8c h ILE 70 N -0.49 0.92 -0.38 2.39 3.07 -1.22 -0.50 117.51 121.29 1l8c h ILE 70 Ca 0.05 -0.24 -0.15 0.00 1.55 0.00 0.00 64.86 66.07 1l8c h ILE 70 Cb 0.55 0.17 -0.01 0.00 -0.27 0.00 0.00 36.82 37.26 1l8c h ILE 70 CO -0.22 0.13 -0.33 0.40 -1.05 0.00 0.00 178.15 177.07 1l8c h ILE 71 N 0.69 1.28 -0.29 0.16 1.08 -1.26 -1.46 117.51 117.70 1l8c h ILE 71 Ca 0.34 -1.50 0.06 0.00 -0.39 0.00 0.00 64.86 63.36 1l8c h ILE 71 Cb 0.28 1.37 -0.06 0.00 -3.07 0.00 0.00 36.82 35.34 1l8c h ILE 71 CO -0.22 0.50 -0.08 0.28 -0.69 0.00 0.00 178.15 177.94 1l8c h SER 72 N 0.72 -0.29 0.78 1.72 0.02 -0.54 -1.15 113.55 114.81 1l8c h SER 72 Ca 0.07 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1l8c h SER 72 Cb 0.92 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 1l8c h SER 72 CO 0.09 -0.11 -0.46 -0.74 -1.14 0.00 0.00 176.83 174.47 1l8c h HIS 73 N -0.01 -1.22 -0.76 3.45 -0.00 -1.03 -2.51 115.15 113.07 1l8c h HIS 73 Ca 0.14 -0.02 0.15 0.00 -0.00 0.00 0.00 60.37 60.64 1l8c h HIS 73 Cb 0.23 0.43 -0.10 0.00 -0.00 0.00 0.00 27.41 27.97 1l8c h HIS 73 CO -0.29 -0.70 0.29 2.35 -0.00 0.00 0.00 177.93 179.58 1l8c h TRP 74 N -1.16 0.48 0.04 5.26 7.01 -1.02 0.92 115.95 127.49 1l8c h TRP 74 Ca -0.11 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 60.93 1l8c h TRP 74 Cb 0.92 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.88 1l8c h TRP 74 CO -0.07 0.03 -0.02 -0.22 -2.79 0.00 0.00 178.44 175.38 1l8c h LYS 75 N 0.41 -0.05 -0.36 2.65 3.64 -1.24 -3.30 116.57 118.33 1l8c h LYS 75 Ca 0.42 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.77 1l8c h LYS 75 Cb 0.66 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1l8c h LYS 75 CO -0.43 0.22 0.10 -0.91 -2.27 0.00 0.00 179.45 176.17 1l8c h ASN 76 N -0.32 0.53 -2.57 4.20 4.21 -1.04 -3.44 115.58 117.15 1l8c h ASN 76 Ca -0.01 -0.21 -0.53 0.00 1.21 0.00 0.00 56.30 56.76 1l8c h ASN 76 Cb 0.29 -0.14 0.03 0.00 -1.12 0.00 0.00 38.32 37.39 1l8c h ASN 76 CO 0.01 0.61 1.08 0.00 -1.29 0.00 0.00 177.43 177.84 1l8c n THR 78 N 4.73 0.64 -2.01 0.00 -2.24 -1.26 -4.92 114.28 109.22 1l8c n THR 78 Ca 0.17 -0.84 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 1l8c n THR 78 Cb 0.39 0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 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 -0.97 4.27 0.00 -0.78 3.52 -1.26 -4.95 118.95 118.77 1l8c s ARG 79 Ca 0.13 2.32 0.16 0.00 -0.13 0.00 0.00 55.73 58.21 1l8c s ARG 79 Cb 0.12 -3.08 0.69 0.00 -1.56 0.00 0.00 34.95 31.12 1l8c s ARG 79 CO -0.00 -0.38 1.50 -2.39 -0.81 0.00 0.00 175.30 173.22 1l8c n HIS 80 N 1.75 0.00 -2.23 5.12 1.44 -1.26 -3.99 115.22 116.05 1l8c n HIS 80 Ca 0.04 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.75 1l8c n HIS 80 Cb 0.40 -0.47 -0.01 0.00 0.12 0.00 0.00 29.99 30.03 1l8c n HIS 80 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1l8c n ASP 81 N -1.47 0.13 -4.75 4.39 5.75 -1.26 -4.96 116.55 114.38 1l8c n ASP 81 Ca 0.04 -1.91 -0.41 0.00 -0.01 0.00 0.00 54.79 52.50 1l8c n ASP 81 Cb 0.18 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 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 1.89 0.01 0.03 0.00 -0.04 -1.26 -2.71 135.00 132.92 1l8c n PRO 83 Ca 0.05 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1l8c n PRO 83 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.35 0.16 -0.15 0.52 0.31 -1.26 -4.80 118.33 111.76 1l8c n VAL 84 Ca 0.00 0.05 -0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1l8c n VAL 84 Cb 0.01 -1.00 0.06 0.00 -0.91 0.00 0.00 33.84 32.00 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 0.28 -1.00 -1.16 0.00 7.12 -1.77 -1.34 115.31 117.44 1l8c h LEU 86 Ca 0.23 0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.35 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 -0.28 -0.58 0.57 1.55 -0.13 0.00 0.00 178.44 179.58 1l8c h PRO 87 N -0.91 1.04 -0.92 5.25 0.13 -1.72 -0.27 132.00 134.59 1l8c h PRO 87 Ca -0.08 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1l8c h PRO 87 Cb 0.74 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 31.59 1l8c h PRO 87 CO 0.05 0.69 0.55 -0.07 -0.23 0.00 0.00 178.00 178.99 1l8c h LEU 88 N 1.07 1.11 0.72 1.56 3.38 -1.35 -1.13 115.31 120.67 1l8c h LEU 88 Ca 0.35 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 1l8c h LEU 88 Cb 0.06 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.53 1l8c h LEU 88 CO -0.11 0.86 -0.34 0.50 0.09 0.00 0.00 178.44 179.43 1l8c h LYS 89 N 1.28 -0.93 -1.39 1.13 3.11 -0.60 -3.45 116.57 115.72 1l8c h LYS 89 Ca 0.33 0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 58.21 1l8c h LYS 89 Cb -0.05 0.21 -0.25 0.00 -1.00 0.00 0.00 32.23 31.15 1l8c h LYS 89 CO -0.06 -0.60 -0.38 1.21 -2.81 0.00 0.00 179.45 176.81 1l8c s ASN 90 N -4.44 -0.65 -0.19 4.20 2.47 -0.17 -5.11 114.94 111.05 1l8c s ASN 90 Ca -0.16 0.48 -0.27 0.00 0.42 0.00 0.00 52.86 53.34 1l8c s ASN 90 Cb 0.02 1.68 -0.00 0.00 -1.45 0.00 0.00 41.25 41.49 1l8c s ASN 90 CO 0.49 -0.29 0.93 0.00 -3.72 0.00 0.00 177.10 174.52 1l8c s ALA 91 N 2.71 3.57 0.76 1.71 0.00 -0.44 -4.25 121.76 125.83 1l8c s ALA 91 Ca 0.16 0.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.11 1l8c s ALA 91 Cb -0.15 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.65 1l8c s ALA 91 CO -0.20 -0.82 1.14 -1.54 0.00 0.00 0.00 175.76 174.35 1l8c s SER 92 N 1.19 4.22 -0.29 0.00 1.04 -1.26 -4.92 113.70 113.67 1l8c s SER 92 Ca 0.41 2.11 -0.28 0.00 0.48 0.00 0.00 55.95 58.67 1l8c s SER 92 Cb -0.16 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.37 1l8c s SER 92 CO 0.11 -2.23 1.96 -0.62 0.98 0.00 0.00 173.24 173.43 1l8c s ASP 93 N -2.62 5.71 0.00 7.02 2.15 -1.26 -4.96 116.67 122.71 1l8c s ASP 93 Ca 0.68 1.50 0.00 0.00 0.43 0.00 0.00 52.55 55.16 1l8c s ASP 93 Cb -0.23 -2.52 -0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1l8c s ASP 93 CO 0.49 -1.82 -0.01 -0.54 -0.17 0.00 0.00 175.17 173.13 1l8c s LYS 94 N 5.96 0.05 0.00 4.34 1.02 -1.26 -5.34 119.74 124.51 1l8c s LYS 94 Ca 0.87 -0.05 0.09 0.00 0.02 0.00 0.00 55.97 56.90 1l8c s LYS 94 Cb -0.26 -0.03 0.51 0.00 -0.52 0.00 0.00 37.83 37.53 1l8c s LYS 94 CO 0.34 0.01 0.96 0.54 -0.92 0.00 0.00 175.35 176.28