#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 -0.15 0.24 0.00 -1.08 -1.26 -5.08 116.67 109.35 1l8c s ASP 2 Ca 0.00 0.30 -0.07 0.00 -0.52 0.00 0.00 52.55 52.26 1l8c s ASP 2 Cb 0.00 0.28 0.26 0.00 -1.46 0.00 0.00 42.92 42.00 1l8c s ASP 2 CO 0.00 -0.07 1.91 1.55 0.52 0.00 0.00 175.17 179.08 1l8c h PRO 3 N 6.14 1.21 -0.64 4.34 0.13 -2.06 -2.19 132.00 138.94 1l8c h PRO 3 Ca -0.28 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 64.69 1l8c h PRO 3 Cb 1.19 -0.27 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 1l8c h PRO 3 CO 0.42 0.80 0.04 0.93 -0.23 0.00 0.00 178.00 179.96 1l8c h GLU 4 N 1.25 1.09 -0.83 0.86 5.08 -1.99 -1.90 114.58 118.15 1l8c h GLU 4 Ca 0.36 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1l8c h GLU 4 Cb -0.10 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.00 1l8c h GLU 4 CO -0.09 1.04 0.55 0.87 -1.00 0.00 0.00 179.01 180.38 1l8c h LYS 5 N 1.00 1.02 -0.46 2.33 1.57 -1.92 -1.51 116.57 118.61 1l8c h LYS 5 Ca 0.19 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1l8c h LYS 5 Cb 0.52 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1l8c h LYS 5 CO 0.02 0.67 0.21 0.00 -0.57 0.00 0.00 179.45 179.79 1l8c h ARG 6 N 1.05 0.67 -0.27 3.15 3.08 -0.88 -0.19 114.38 120.99 1l8c h ARG 6 Ca 0.32 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.32 1l8c h ARG 6 Cb -0.00 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 29.88 1l8c h ARG 6 CO -0.09 0.58 -0.06 0.87 -1.07 0.00 0.00 179.97 180.20 1l8c h LYS 7 N 0.60 0.00 -0.46 0.04 1.57 -0.70 0.29 116.57 117.91 1l8c h LYS 7 Ca 0.16 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1l8c h LYS 7 Cb 0.14 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1l8c h LYS 7 CO -0.02 0.00 0.26 -0.07 -0.57 0.00 0.00 179.45 179.05 1l8c h LEU 8 N 0.00 0.40 0.08 2.94 3.38 -1.09 -0.91 115.31 120.11 1l8c h LEU 8 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1l8c h LEU 8 Cb 0.20 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1l8c h LEU 8 CO -0.27 0.28 -0.08 0.40 0.09 0.00 0.00 178.44 178.86 1l8c h ILE 9 N 0.51 0.83 -0.42 1.22 2.04 -0.61 -1.20 117.51 119.87 1l8c h ILE 9 Ca 0.19 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.13 1l8c h ILE 9 Cb 0.05 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 1l8c h ILE 9 CO -0.11 0.00 -0.05 1.56 0.00 0.00 0.00 178.15 179.56 1l8c h GLN 10 N -0.17 0.06 0.04 2.37 4.20 -0.70 0.34 115.11 121.24 1l8c h GLN 10 Ca 0.00 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1l8c h GLN 10 Cb 0.16 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1l8c h GLN 10 CO -0.02 0.04 -0.24 0.37 -0.67 0.00 0.00 178.83 178.31 1l8c h GLN 11 N 0.06 -0.38 -0.66 1.46 4.15 -0.95 -0.54 115.11 118.25 1l8c h GLN 11 Ca 0.21 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.71 1l8c h GLN 11 Cb 0.31 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.03 1l8c h GLN 11 CO -0.39 -0.25 0.37 1.96 -1.93 0.00 0.00 178.83 178.59 1l8c h GLN 12 N -0.40 0.67 0.19 1.69 1.08 -0.81 -0.33 115.11 117.20 1l8c h GLN 12 Ca 0.05 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1l8c h GLN 12 Cb 0.46 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 1l8c h GLN 12 CO -0.19 0.44 -0.28 1.25 -0.95 0.00 0.00 178.83 179.10 1l8c h LEU 13 N 0.69 -0.78 0.23 1.46 6.46 -0.54 0.13 115.31 122.95 1l8c h LEU 13 Ca 0.29 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 58.14 1l8c h LEU 13 Cb 0.16 0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.35 1l8c h LEU 13 CO -0.17 -0.39 -0.33 0.58 -0.62 0.00 0.00 178.44 177.51 1l8c h VAL 14 N -0.54 0.31 -0.82 1.05 2.07 -0.88 -2.09 116.25 115.36 1l8c h VAL 14 Ca 0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1l8c h VAL 14 Cb 0.53 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1l8c h VAL 14 CO -0.12 0.00 0.52 -0.07 0.02 0.00 0.00 177.57 177.93 1l8c h LEU 15 N -0.62 0.86 -0.04 2.57 3.38 -0.92 0.01 115.31 120.55 1l8c h LEU 15 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1l8c h LEU 15 Cb 0.60 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1l8c h LEU 15 CO -0.12 0.59 0.02 0.25 0.09 0.00 0.00 178.44 179.26 1l8c h LEU 16 N 1.01 0.05 -0.27 1.67 5.85 -0.86 0.48 115.31 123.25 1l8c h LEU 16 Ca 0.33 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1l8c h LEU 16 Cb 0.02 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1l8c h LEU 16 CO -0.12 0.18 0.02 -0.07 -0.34 0.00 0.00 178.44 178.11 1l8c h LEU 17 N -0.09 -0.06 -0.14 2.25 4.07 -1.21 -2.85 115.31 117.27 1l8c h LEU 17 Ca 0.01 0.05 0.04 0.00 0.08 0.00 0.00 57.88 58.07 1l8c h LEU 17 Cb 0.15 0.09 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 1l8c h LEU 17 CO -0.00 0.00 -0.16 -0.74 -1.08 0.00 0.00 178.44 176.46 1l8c h HIS 18 N 0.11 -0.42 -0.75 1.13 2.76 -0.84 -2.80 115.15 114.34 1l8c h HIS 18 Ca 0.13 0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.47 1l8c h HIS 18 Cb 0.15 0.21 -0.14 0.00 1.55 0.00 0.00 27.41 29.18 1l8c h HIS 18 CO -0.19 -0.24 -0.20 0.00 -1.30 0.00 0.00 177.93 176.00 1l8c h ALA 19 N 0.86 0.46 -0.12 5.26 0.00 -0.66 0.32 119.26 125.38 1l8c h ALA 19 Ca 0.10 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1l8c h ALA 19 Cb 0.34 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1l8c h ALA 19 CO -0.26 -0.43 0.02 1.25 0.00 0.00 0.00 179.25 179.83 1l8c h HIS 20 N -0.01 0.21 -0.56 0.00 6.17 -1.53 -1.35 115.15 118.09 1l8c h HIS 20 Ca 0.35 -0.03 0.08 0.00 0.71 0.00 0.00 60.37 61.49 1l8c h HIS 20 Cb 0.55 -0.06 -0.06 0.00 2.52 0.00 0.00 27.41 30.36 1l8c h HIS 20 CO -0.60 0.38 0.20 -0.22 0.71 0.00 0.00 177.93 178.40 1l8c h LYS 21 N -0.03 0.38 -0.71 5.26 3.64 -1.02 -2.21 116.57 121.88 1l8c h LYS 21 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1l8c h LYS 21 Cb 0.28 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1l8c h LYS 21 CO 0.00 0.25 0.45 0.00 -2.27 0.00 0.00 179.45 177.88 1l8c h GLN 23 N 0.97 0.03 -0.28 0.00 4.15 -0.70 0.15 115.11 119.41 1l8c h GLN 23 Ca 0.26 -0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.72 1l8c h GLN 23 Cb -0.08 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.57 1l8c h GLN 23 CO -0.05 0.02 0.03 -0.09 -1.93 0.00 0.00 178.83 176.81 1l8c h ARG 24 N 0.03 0.12 -0.18 1.69 9.65 -1.05 -0.66 114.38 123.98 1l8c h ARG 24 Ca 0.07 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.99 1l8c h ARG 24 Cb 0.09 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.59 1l8c h ARG 24 CO -0.12 0.08 -0.17 -0.09 2.80 0.00 0.00 179.97 182.47 1l8c h ARG 25 N 0.13 -0.18 -0.19 0.20 1.12 -0.71 -1.10 114.38 113.66 1l8c h ARG 25 Ca 0.13 0.01 0.02 0.00 -1.11 0.00 0.00 59.98 59.04 1l8c h ARG 25 Cb 0.16 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.14 1l8c h ARG 25 CO -0.20 -0.12 0.05 1.49 -3.11 0.00 0.00 179.97 178.09 1l8c h GLU 26 N -0.18 0.13 -0.54 0.20 4.81 -0.44 0.26 114.58 118.82 1l8c h GLU 26 Ca 0.12 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1l8c h GLU 26 Cb 0.36 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1l8c h GLU 26 CO -0.29 0.09 0.27 1.96 -0.73 0.00 0.00 179.01 180.30 1l8c h GLN 27 N 0.14 0.51 0.31 1.92 4.20 -0.90 -3.03 115.11 118.25 1l8c h GLN 27 Ca 0.08 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1l8c h GLN 27 Cb 0.06 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1l8c h GLN 27 CO -0.10 0.33 -0.15 0.00 -0.67 0.00 0.00 178.83 178.25 1l8c h ALA 28 N 1.29 -0.41 -2.89 3.87 0.00 -0.94 -3.45 119.26 116.74 1l8c h ALA 28 Ca 0.24 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1l8c h ALA 28 Cb 0.15 0.16 -0.32 0.00 0.00 0.00 0.00 17.79 17.78 1l8c h ALA 28 CO -0.17 -0.63 -0.52 1.21 0.00 0.00 0.00 179.25 179.14 1l8c s ASN 29 N -4.99 0.24 -0.25 0.00 3.84 0.06 -5.10 114.94 108.73 1l8c s ASN 29 Ca -0.15 0.58 -0.31 0.00 0.21 0.00 0.00 52.86 53.20 1l8c s ASN 29 Cb 0.03 0.65 0.17 0.00 -0.55 0.00 0.00 41.25 41.55 1l8c s ASN 29 CO 0.60 -0.23 1.28 -0.83 -2.79 0.00 0.00 177.10 175.13 1l8c s GLY 30 N 2.21 -0.05 0.00 1.21 0.00 -1.17 -4.02 107.32 105.50 1l8c s GLY 30 Ca -0.01 2.45 0.00 0.00 0.00 0.00 0.00 44.72 47.16 1l8c s GLY 30 CO -0.09 0.97 0.00 -2.21 0.00 0.00 0.00 173.10 171.78 1l8c n GLU 31 N 0.42 0.00 -0.09 2.90 2.13 -1.26 -4.97 120.64 119.77 1l8c n GLU 31 Ca -0.01 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.69 1l8c n GLU 31 Cb 0.58 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.25 1l8c n GLU 31 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1l8c h VAL 32 N 0.00 1.29 -4.19 6.31 2.07 -2.04 -3.47 116.25 116.23 1l8c h VAL 32 Ca 0.00 -1.14 -0.33 0.00 0.82 0.00 0.00 66.70 66.05 1l8c h VAL 32 Cb 0.00 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 1l8c h VAL 32 CO 0.00 0.36 -0.23 -2.11 0.02 0.00 0.00 177.57 175.61 1l8c n ARG 33 N -4.51 0.61 0.08 1.57 1.85 -1.26 -5.12 116.66 109.88 1l8c n ARG 33 Ca -0.04 -2.88 0.00 0.00 -1.00 0.00 0.00 57.85 53.93 1l8c n ARG 33 Cb 0.33 2.65 0.00 0.00 -1.05 0.00 0.00 32.46 34.39 1l8c n ARG 33 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1l8c n ALA 34 N -0.75 3.00 -2.11 2.89 0.00 -1.26 -4.67 120.51 117.61 1l8c n ALA 34 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 1l8c n ALA 34 Cb 0.58 0.04 0.19 0.00 0.00 0.00 0.00 19.45 20.25 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 -3.62 2.95 -4.70 0.00 7.64 -1.26 -5.06 113.62 109.56 1l8c n SER 36 Ca 0.17 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 1l8c n SER 36 Cb 0.59 0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 64.04 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 -2.88 4.36 0.14 -3.43 1.02 -1.26 -4.94 118.68 111.69 1l8c s LEU 37 Ca 0.00 2.41 -0.12 0.00 0.02 0.00 0.00 54.13 56.43 1l8c s LEU 37 Cb 0.00 -3.58 -0.01 0.00 0.02 0.00 0.00 46.19 42.63 1l8c s LEU 37 CO 0.00 -0.77 1.55 1.55 0.02 0.00 0.00 176.35 178.70 1l8c h PRO 38 N 7.40 0.87 0.00 1.29 0.13 -2.03 -3.09 132.00 136.56 1l8c h PRO 38 Ca -0.42 -0.33 -0.00 0.00 -0.87 0.00 0.00 66.00 64.38 1l8c h PRO 38 Cb 1.20 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1l8c h PRO 38 CO 0.90 0.97 -0.00 0.45 -0.23 0.00 0.00 178.00 180.09 1l8c h HIS 39 N 0.70 0.00 -0.10 1.56 3.86 -2.00 -2.75 115.15 116.42 1l8c h HIS 39 Ca 0.11 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1l8c h HIS 39 Cb 0.65 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.11 1l8c h HIS 39 CO 0.05 0.00 0.05 0.00 0.86 0.00 0.00 177.93 178.90 1l8c h ARG 41 N 0.07 0.39 -0.18 0.00 1.12 -1.63 0.61 114.38 114.76 1l8c h ARG 41 Ca 0.04 -0.02 0.05 0.00 -1.11 0.00 0.00 59.98 58.93 1l8c h ARG 41 Cb 0.08 -0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 29.91 1l8c h ARG 41 CO -0.01 0.26 -0.12 1.15 -3.11 0.00 0.00 179.97 178.14 1l8c h THR 42 N 0.41 0.64 -0.90 0.20 2.02 -1.46 -0.67 112.91 113.15 1l8c h THR 42 Ca 0.25 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.43 1l8c h THR 42 Cb 0.26 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1l8c h THR 42 CO -0.24 0.00 0.56 0.24 0.37 0.00 0.00 175.52 176.45 1l8c h MET 43 N -0.12 1.20 -0.72 6.66 2.86 -0.34 -1.58 114.93 122.89 1l8c h MET 43 Ca 0.11 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1l8c h MET 43 Cb 0.28 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1l8c h MET 43 CO -0.26 0.83 0.39 0.87 1.06 0.00 0.00 176.91 179.80 1l8c h LYS 44 N 1.23 1.01 -0.23 1.72 1.57 -0.27 0.18 116.57 121.78 1l8c h LYS 44 Ca 0.32 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1l8c h LYS 44 Cb -0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 1l8c h LYS 44 CO -0.06 0.76 0.15 -0.91 -0.57 0.00 0.00 179.45 178.82 1l8c h ASN 45 N 0.99 0.28 -0.27 0.86 2.35 -0.79 -1.52 115.58 117.48 1l8c h ASN 45 Ca 0.25 -0.03 0.04 0.00 -0.55 0.00 0.00 56.30 56.01 1l8c h ASN 45 Cb 0.05 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1l8c h ASN 45 CO -0.04 0.22 0.06 0.58 -1.65 0.00 0.00 177.43 176.60 1l8c h VAL 46 N 0.31 0.88 -0.28 2.81 2.07 -1.01 -1.70 116.25 119.34 1l8c h VAL 46 Ca 0.09 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1l8c h VAL 46 Cb -0.01 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 1l8c h VAL 46 CO -0.02 0.03 -0.15 0.25 0.02 0.00 0.00 177.57 177.70 1l8c h LEU 47 N 0.16 -0.51 0.11 2.57 7.12 -0.41 0.39 115.31 124.75 1l8c h LEU 47 Ca 0.12 0.11 0.02 0.00 0.13 0.00 0.00 57.88 58.26 1l8c h LEU 47 Cb 0.12 0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 40.49 1l8c h LEU 47 CO -0.16 -0.19 -0.24 -1.13 -0.13 0.00 0.00 178.44 176.59 1l8c h ASN 48 N -0.12 -0.69 -0.27 1.25 -1.24 -1.12 -2.98 115.58 110.41 1l8c h ASN 48 Ca 0.15 0.08 0.06 0.00 0.71 0.00 0.00 56.30 57.30 1l8c h ASN 48 Cb 0.34 0.26 -0.06 0.00 0.73 0.00 0.00 38.32 39.60 1l8c h ASN 48 CO -0.35 -0.33 -0.13 -0.74 -1.29 0.00 0.00 177.43 174.58 1l8c h HIS 49 N -0.44 -0.32 -0.85 0.67 2.76 -0.83 -2.90 115.15 113.24 1l8c h HIS 49 Ca 0.03 0.03 0.19 0.00 -2.20 0.00 0.00 60.37 58.43 1l8c h HIS 49 Cb 0.47 0.18 -0.12 0.00 1.55 0.00 0.00 27.41 29.50 1l8c h HIS 49 CO -0.23 -0.20 0.34 0.52 -1.30 0.00 0.00 177.93 177.06 1l8c h MET 50 N -0.09 0.38 -0.58 5.26 2.86 -0.79 0.02 114.93 121.98 1l8c h MET 50 Ca 0.14 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.67 1l8c h MET 50 Cb 0.31 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1l8c h MET 50 CO -0.34 0.25 -0.00 1.79 1.06 0.00 0.00 176.91 179.68 1l8c h THR 51 N 0.39 1.26 0.09 2.22 1.35 -1.39 -3.32 112.91 113.52 1l8c h THR 51 Ca 0.51 -1.13 -0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1l8c h THR 51 Cb 0.91 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1l8c h THR 51 CO -0.50 0.41 -0.04 0.45 -0.25 0.00 0.00 175.52 175.58 1l8c h HIS 52 N 0.93 -0.11 -4.00 4.73 3.86 -1.32 -3.46 115.15 115.78 1l8c h HIS 52 Ca 0.17 -0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.84 1l8c h HIS 52 Cb 0.54 0.04 0.10 0.00 1.06 0.00 0.00 27.41 29.15 1l8c h HIS 52 CO 0.04 0.41 0.59 0.00 0.86 0.00 0.00 177.93 179.83 1l8c n GLN 54 N -0.47 0.71 -0.01 0.00 1.13 -1.26 -4.81 117.38 112.67 1l8c n GLN 54 Ca 0.07 -0.70 -0.00 0.00 -1.94 0.00 0.00 57.00 54.43 1l8c n GLN 54 Cb 0.45 -0.73 -0.00 0.00 0.11 0.00 0.00 30.24 30.07 1l8c n GLN 54 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1l8c h ALA 55 N 0.00 0.00 -0.07 -1.58 0.00 -1.96 -3.48 119.26 112.18 1l8c h ALA 55 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1l8c h ALA 55 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1l8c h ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1l8c n GLY 56 N 1.94 1.50 0.30 0.00 0.00 -1.26 -4.20 105.19 103.47 1l8c n GLY 56 Ca -0.00 0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.65 0.00 1.61 1.79 -1.92 -3.23 116.57 114.17 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 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1l8c h LYS 57 CO 0.00 -0.44 -0.06 0.00 -1.08 0.00 0.00 179.45 177.87 1l8c h ALA 58 N -0.17 0.97 -2.57 3.86 0.00 -1.99 -3.47 119.26 115.90 1l8c h ALA 58 Ca -0.06 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.32 1l8c h ALA 58 Cb 0.53 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.37 1l8c h ALA 58 CO 0.09 0.00 0.99 0.00 0.00 0.00 0.00 179.25 180.33 1l8c h GLN 60 N 7.51 0.06 -6.25 0.00 4.20 -1.90 -3.44 115.11 115.29 1l8c h GLN 60 Ca -0.44 -0.02 -0.56 0.00 0.06 0.00 0.00 58.65 57.70 1l8c h GLN 60 Cb 1.21 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1l8c h GLN 60 CO 0.94 0.33 1.18 0.08 -0.67 0.00 0.00 178.83 180.69 1l8c s VAL 61 N -4.42 3.46 0.17 -0.54 1.01 -1.26 -4.92 120.40 113.89 1l8c s VAL 61 Ca -0.04 0.53 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 1l8c s VAL 61 Cb 0.15 -3.42 0.10 0.00 0.00 0.00 0.00 36.38 33.21 1l8c s VAL 61 CO 0.72 -0.13 1.63 0.00 0.00 0.00 0.00 175.10 177.32 1l8c h ALA 62 N 10.83 0.08 -0.76 5.51 0.00 -1.99 -2.49 119.26 130.44 1l8c h ALA 62 Ca -0.39 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1l8c h ALA 62 Cb 1.19 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 1l8c h ALA 62 CO 0.97 -0.57 0.44 0.45 0.00 0.00 0.00 179.25 180.53 1l8c h HIS 63 N -0.13 1.01 0.43 0.00 3.86 -1.97 -1.97 115.15 116.38 1l8c h HIS 63 Ca 0.20 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1l8c h HIS 63 Cb 0.44 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1l8c h HIS 63 CO -0.44 0.69 -0.24 0.00 0.86 0.00 0.00 177.93 178.79 1l8c h ALA 65 N -0.09 0.80 0.36 0.00 0.00 -1.41 -2.99 119.26 115.93 1l8c h ALA 65 Ca -0.05 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1l8c h ALA 65 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1l8c h ALA 65 CO 0.07 -0.18 -0.17 0.77 0.00 0.00 0.00 179.25 179.74 1l8c h SER 66 N 0.42 -0.40 -0.51 0.00 0.02 -1.20 -3.30 113.55 108.58 1l8c h SER 66 Ca 0.31 -0.15 0.10 0.00 -0.84 0.00 0.00 61.79 61.21 1l8c h SER 66 Cb 0.38 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.94 1l8c h SER 66 CO -0.31 0.02 -0.07 0.77 -1.14 0.00 0.00 176.83 176.10 1l8c h SER 67 N -0.93 -0.36 -0.61 3.07 4.64 -0.71 -1.38 113.55 117.27 1l8c h SER 67 Ca -0.05 0.14 0.07 0.00 -0.47 0.00 0.00 61.79 61.48 1l8c h SER 67 Cb 0.53 0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.83 1l8c h SER 67 CO 0.08 -0.13 0.29 0.03 -0.87 0.00 0.00 176.83 176.23 1l8c h ARG 68 N 0.05 0.52 0.50 4.77 3.08 -1.68 -2.33 114.38 119.28 1l8c h ARG 68 Ca 0.25 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 1l8c h ARG 68 Cb 0.38 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1l8c h ARG 68 CO -0.48 0.34 -0.28 0.37 -1.07 0.00 0.00 179.97 178.85 1l8c h GLN 69 N 0.53 -0.71 -0.73 0.04 -0.00 -1.40 -0.75 115.11 112.09 1l8c h GLN 69 Ca 0.29 0.05 0.10 0.00 -0.00 0.00 0.00 58.65 59.09 1l8c h GLN 69 Cb 0.26 0.16 -0.07 0.00 0.00 0.00 0.00 27.48 27.83 1l8c h GLN 69 CO -0.23 -0.47 0.37 -0.84 0.00 0.00 0.00 178.83 177.66 1l8c h ILE 70 N -0.73 0.84 -0.36 2.39 3.07 -1.10 -0.81 117.51 120.81 1l8c h ILE 70 Ca -0.06 -0.21 -0.16 0.00 1.55 0.00 0.00 64.86 65.98 1l8c h ILE 70 Cb 0.59 0.17 -0.01 0.00 -0.27 0.00 0.00 36.82 37.30 1l8c h ILE 70 CO 0.08 0.11 -0.42 0.40 -1.05 0.00 0.00 178.15 177.27 1l8c h ILE 71 N 0.61 1.27 -0.28 0.16 1.08 -1.37 -1.34 117.51 117.66 1l8c h ILE 71 Ca 0.36 -1.59 0.06 0.00 -0.39 0.00 0.00 64.86 63.30 1l8c h ILE 71 Cb 0.39 1.44 -0.06 0.00 -3.07 0.00 0.00 36.82 35.52 1l8c h ILE 71 CO -0.28 0.53 -0.13 0.28 -0.69 0.00 0.00 178.15 177.86 1l8c h SER 72 N 0.73 -0.44 0.41 1.72 0.02 -0.58 -1.04 113.55 114.37 1l8c h SER 72 Ca 0.05 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1l8c h SER 72 Cb 1.01 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1l8c h SER 72 CO 0.10 -0.17 -0.32 -0.74 -1.14 0.00 0.00 176.83 174.56 1l8c h HIS 73 N -0.09 -0.88 -0.93 3.45 -0.00 -1.05 -1.72 115.15 113.93 1l8c h HIS 73 Ca 0.14 -0.00 0.17 0.00 -0.00 0.00 0.00 60.37 60.68 1l8c h HIS 73 Cb 0.31 0.33 -0.10 0.00 -0.00 0.00 0.00 27.41 27.95 1l8c h HIS 73 CO -0.32 -0.45 0.52 2.35 -0.00 0.00 0.00 177.93 180.03 1l8c h TRP 74 N -0.71 0.91 0.26 5.26 7.01 -1.10 0.89 115.95 128.48 1l8c h TRP 74 Ca -0.05 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 1l8c h TRP 74 Cb 0.59 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1l8c h TRP 74 CO -0.11 0.20 -0.13 -0.22 -2.79 0.00 0.00 178.44 175.39 1l8c h LYS 75 N 0.69 -0.34 -0.24 2.65 3.64 -1.15 -3.31 116.57 118.50 1l8c h LYS 75 Ca 0.53 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.82 1l8c h LYS 75 Cb 0.79 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1l8c h LYS 75 CO -0.38 -0.05 -0.32 -0.91 -2.27 0.00 0.00 179.45 175.51 1l8c h ASN 76 N -0.63 0.52 -2.88 4.20 4.21 -0.89 -3.45 115.58 116.66 1l8c h ASN 76 Ca -0.04 -0.20 -0.53 0.00 1.21 0.00 0.00 56.30 56.75 1l8c h ASN 76 Cb 0.45 -0.14 0.03 0.00 -1.12 0.00 0.00 38.32 37.54 1l8c h ASN 76 CO 0.06 0.81 0.83 0.00 -1.29 0.00 0.00 177.43 177.84 1l8c n THR 78 N 4.06 0.18 -1.68 0.00 -2.24 -1.26 -4.95 114.28 108.39 1l8c n THR 78 Ca 0.13 -0.43 -0.45 0.00 -2.27 0.00 0.00 64.05 61.04 1l8c n THR 78 Cb 0.40 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 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 2.50 0.00 -0.78 0.63 -1.26 -4.89 116.66 112.76 1l8c n ARG 79 Ca 0.00 0.91 0.05 0.00 -0.92 0.00 0.00 57.85 57.89 1l8c n ARG 79 Cb 0.15 -2.77 0.32 0.00 0.45 0.00 0.00 32.46 30.61 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 5.51 0.00 -2.00 -0.14 8.25 -1.26 -3.62 115.22 121.97 1l8c n HIS 80 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1l8c n HIS 80 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.70 0.00 -4.76 0.41 5.75 -1.26 -4.92 116.55 111.06 1l8c n ASP 81 Ca 0.08 -1.58 -0.41 0.00 -0.01 0.00 0.00 54.79 52.87 1l8c n ASP 81 Cb 0.04 -0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 40.00 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 1.57 0.00 0.04 0.00 -0.04 -1.26 -2.34 135.00 132.97 1l8c n PRO 83 Ca 0.05 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1l8c n PRO 83 Cb 0.39 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.46 0.35 -0.32 0.52 0.31 -1.26 -4.76 118.33 111.71 1l8c n VAL 84 Ca 0.00 0.11 0.06 0.00 -0.01 0.00 0.00 64.34 64.50 1l8c n VAL 84 Cb 0.01 -1.19 0.26 0.00 -0.91 0.00 0.00 33.84 32.01 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 0.98 -0.65 -0.97 0.00 7.12 -1.69 -1.94 115.31 118.16 1l8c h LEU 86 Ca 0.43 0.02 0.09 0.00 0.13 0.00 0.00 57.88 58.55 1l8c h LEU 86 Cb 0.35 0.17 -0.07 0.00 -0.53 0.00 0.00 40.66 40.58 1l8c h LEU 86 CO -0.19 -0.37 0.61 1.55 -0.13 0.00 0.00 178.44 179.91 1l8c h PRO 87 N -0.95 1.01 -0.36 5.25 0.13 -1.72 0.18 132.00 135.54 1l8c h PRO 87 Ca -0.08 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1l8c h PRO 87 Cb 0.59 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.47 1l8c h PRO 87 CO 0.13 0.67 0.23 -0.07 -0.23 0.00 0.00 178.00 178.73 1l8c h LEU 88 N 1.04 0.39 -0.42 1.56 3.38 -1.41 -2.79 115.31 117.06 1l8c h LEU 88 Ca 0.45 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.26 1l8c h LEU 88 Cb 0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1l8c h LEU 88 CO -0.22 0.28 -0.33 0.07 0.09 0.00 0.00 178.44 178.33 1l8c h LYS 89 N 0.47 0.96 -2.65 1.13 2.10 -0.78 -3.43 116.57 114.37 1l8c h LYS 89 Ca 0.13 -0.47 -0.44 0.00 -2.00 0.00 0.00 60.65 57.87 1l8c h LYS 89 Cb -0.04 0.00 -0.38 0.00 -0.90 0.00 0.00 32.23 30.91 1l8c h LYS 89 CO -0.04 1.14 -0.72 1.21 -2.00 0.00 0.00 179.45 179.04 1l8c s ASN 90 N -6.80 2.60 -0.29 7.07 2.47 0.00 -5.06 114.94 114.93 1l8c s ASN 90 Ca -0.11 -0.90 0.03 0.00 0.42 0.00 0.00 52.86 52.30 1l8c s ASN 90 Cb 0.11 -0.03 0.17 0.00 -1.45 0.00 0.00 41.25 40.06 1l8c s ASN 90 CO 0.88 -0.40 0.46 0.00 -3.72 0.00 0.00 177.10 174.33 1l8c s ALA 91 N 2.20 -1.57 -0.71 1.71 0.00 -1.06 -4.25 121.76 118.07 1l8c s ALA 91 Ca 0.08 0.55 -0.37 0.00 0.00 0.00 0.00 51.96 52.21 1l8c s ALA 91 Cb -0.15 -2.19 -0.20 0.00 0.00 0.00 0.00 23.12 20.58 1l8c s ALA 91 CO -0.28 -1.73 2.39 0.43 0.00 0.00 0.00 175.76 176.57 1l8c n SER 92 N 5.38 0.66 -3.71 0.00 7.64 -1.26 -4.94 113.62 117.38 1l8c n SER 92 Ca 0.02 0.42 -0.11 0.00 1.01 0.00 0.00 58.87 60.20 1l8c n SER 92 Cb 0.51 -0.94 -0.11 0.00 -1.01 0.00 0.00 64.21 62.65 1l8c n SER 92 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1l8c s ASP 93 N 7.52 -0.45 -0.02 6.43 2.15 -1.26 -5.18 116.67 125.86 1l8c s ASP 93 Ca 1.26 0.80 -0.03 0.00 0.43 0.00 0.00 52.55 55.01 1l8c s ASP 93 Cb -1.33 0.72 0.00 0.00 -0.30 0.00 0.00 42.92 42.01 1l8c s ASP 93 CO 0.57 -0.17 0.07 -0.54 -0.17 0.00 0.00 175.17 174.93 1l8c s LYS 94 N 1.06 0.17 0.00 4.34 -0.14 -1.26 -5.24 119.74 118.67 1l8c s LYS 94 Ca -0.07 -0.04 0.19 0.00 -1.36 0.00 0.00 55.97 54.69 1l8c s LYS 94 Cb -0.07 0.07 1.14 0.00 -1.68 0.00 0.00 37.83 37.29 1l8c s LYS 94 CO -0.09 -0.03 1.53 0.54 -0.76 0.00 0.00 175.35 176.55