#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 -0.07 0.13 0.00 -1.08 -1.26 -5.09 116.67 109.30 1l8c s ASP 2 Ca 0.00 0.18 -0.25 0.00 -0.52 0.00 0.00 52.55 51.95 1l8c s ASP 2 Cb 0.00 0.14 -0.03 0.00 -1.46 0.00 0.00 42.92 41.57 1l8c s ASP 2 CO 0.00 -0.07 1.63 -0.65 0.52 0.00 0.00 175.17 176.60 1l8c h PRO 3 N 6.44 -0.37 -0.82 4.34 0.11 -2.06 -2.19 132.00 137.46 1l8c h PRO 3 Ca -0.31 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 1l8c h PRO 3 Cb 1.18 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 1l8c h PRO 3 CO 0.45 -0.24 0.40 0.93 -0.21 0.00 0.00 178.00 179.33 1l8c h GLU 4 N -0.38 1.19 -0.88 1.05 3.07 -1.99 -1.98 114.58 114.65 1l8c h GLU 4 Ca 0.08 -0.17 0.07 0.00 -0.50 0.00 0.00 59.36 58.84 1l8c h GLU 4 Cb 0.50 -0.21 -0.06 0.00 -0.84 0.00 0.00 28.75 28.14 1l8c h GLU 4 CO -0.29 0.91 0.57 0.87 -1.40 0.00 0.00 179.01 179.68 1l8c h LYS 5 N 1.17 0.93 -0.33 2.33 1.57 -1.93 -0.26 116.57 120.05 1l8c h LYS 5 Ca 0.28 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1l8c h LYS 5 Cb 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1l8c h LYS 5 CO -0.04 0.61 0.14 0.00 -0.57 0.00 0.00 179.45 179.60 1l8c h ARG 6 N 0.96 0.48 -0.49 3.15 3.08 -0.74 -0.31 114.38 120.51 1l8c h ARG 6 Ca 0.39 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.43 1l8c h ARG 6 Cb 0.27 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 1l8c h ARG 6 CO -0.15 0.47 0.14 0.87 -1.07 0.00 0.00 179.97 180.23 1l8c h LYS 7 N 0.39 0.28 -0.19 0.04 1.57 -0.66 0.90 116.57 118.91 1l8c h LYS 7 Ca 0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1l8c h LYS 7 Cb 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1l8c h LYS 7 CO -0.01 0.19 0.12 -0.07 -0.57 0.00 0.00 179.45 179.11 1l8c h LEU 8 N 0.29 0.21 -0.11 2.94 3.38 -0.90 -1.76 115.31 119.37 1l8c h LEU 8 Ca 0.24 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1l8c h LEU 8 Cb 0.28 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1l8c h LEU 8 CO -0.27 0.15 0.01 0.40 0.09 0.00 0.00 178.44 178.82 1l8c h ILE 9 N 0.25 0.94 -0.37 1.22 2.04 -0.59 -1.47 117.51 119.53 1l8c h ILE 9 Ca 0.07 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.99 1l8c h ILE 9 Cb -0.03 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 36.86 1l8c h ILE 9 CO -0.02 0.01 -0.16 1.56 0.00 0.00 0.00 178.15 179.54 1l8c h GLN 10 N 0.06 -0.09 0.06 2.37 4.20 -0.69 0.73 115.11 121.75 1l8c h GLN 10 Ca 0.05 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1l8c h GLN 10 Cb 0.05 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1l8c h GLN 10 CO -0.07 -0.06 -0.24 0.37 -0.67 0.00 0.00 178.83 178.16 1l8c h GLN 11 N -0.09 -0.39 -0.93 1.46 -0.00 -1.12 -1.96 115.11 112.07 1l8c h GLN 11 Ca 0.19 0.03 0.04 0.00 -0.00 0.00 0.00 58.65 58.90 1l8c h GLN 11 Cb 0.38 0.09 -0.06 0.00 0.00 0.00 0.00 27.48 27.89 1l8c h GLN 11 CO -0.44 -0.26 0.60 1.96 0.00 0.00 0.00 178.83 180.70 1l8c h GLN 12 N -0.41 1.13 0.23 1.69 1.08 -0.69 0.22 115.11 118.36 1l8c h GLN 12 Ca 0.04 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1l8c h GLN 12 Cb 0.46 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 1l8c h GLN 12 CO -0.17 0.75 -0.32 1.25 -0.95 0.00 0.00 178.83 179.39 1l8c h LEU 13 N 1.16 -0.88 0.26 1.46 6.46 -0.64 -0.51 115.31 122.62 1l8c h LEU 13 Ca 0.37 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 58.22 1l8c h LEU 13 Cb 0.02 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 1l8c h LEU 13 CO -0.13 -0.43 -0.19 0.58 -0.62 0.00 0.00 178.44 177.65 1l8c h VAL 14 N -0.61 0.58 -0.82 1.05 2.07 -1.08 -2.10 116.25 115.35 1l8c h VAL 14 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1l8c h VAL 14 Cb 0.59 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1l8c h VAL 14 CO -0.11 0.00 0.50 -0.07 0.02 0.00 0.00 177.57 177.90 1l8c h LEU 15 N -0.46 0.78 -0.21 2.57 3.38 -0.86 0.15 115.31 120.66 1l8c h LEU 15 Ca -0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1l8c h LEU 15 Cb 0.40 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1l8c h LEU 15 CO -0.01 0.50 0.10 0.25 0.09 0.00 0.00 178.44 179.37 1l8c h LEU 16 N 0.91 0.27 0.01 1.67 5.85 -0.99 0.49 115.31 123.51 1l8c h LEU 16 Ca 0.36 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1l8c h LEU 16 Cb 0.18 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1l8c h LEU 16 CO -0.18 0.30 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.11 1l8c h LEU 17 N 0.21 -0.14 -0.23 2.25 3.38 -1.06 -2.99 115.31 116.74 1l8c h LEU 17 Ca 0.07 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1l8c h LEU 17 Cb 0.10 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1l8c h LEU 17 CO -0.01 -0.07 -0.14 -0.74 0.09 0.00 0.00 178.44 177.56 1l8c h HIS 18 N -0.09 -0.36 -0.89 1.13 2.76 -0.85 -2.58 115.15 114.27 1l8c h HIS 18 Ca 0.02 0.03 0.24 0.00 -2.20 0.00 0.00 60.37 58.46 1l8c h HIS 18 Cb 0.11 0.19 -0.15 0.00 1.55 0.00 0.00 27.41 29.11 1l8c h HIS 18 CO -0.12 -0.21 0.14 0.00 -1.30 0.00 0.00 177.93 176.44 1l8c h ALA 19 N 1.03 1.18 -0.02 5.26 0.00 -0.74 0.26 119.26 126.22 1l8c h ALA 19 Ca 0.13 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1l8c h ALA 19 Cb 0.32 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1l8c h ALA 19 CO -0.31 -0.50 -0.06 1.25 0.00 0.00 0.00 179.25 179.63 1l8c h HIS 20 N 0.12 0.10 -0.67 0.00 6.17 -1.53 -2.90 115.15 116.43 1l8c h HIS 20 Ca 0.55 -0.04 0.12 0.00 0.71 0.00 0.00 60.37 61.70 1l8c h HIS 20 Cb 1.11 -0.02 -0.08 0.00 2.52 0.00 0.00 27.41 30.94 1l8c h HIS 20 CO -0.35 0.67 0.25 -0.22 0.71 0.00 0.00 177.93 178.99 1l8c h LYS 21 N -0.50 0.40 -0.27 5.26 3.64 -0.86 -2.28 116.57 121.96 1l8c h LYS 21 Ca -0.00 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1l8c h LYS 21 Cb 0.67 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 1l8c h LYS 21 CO 0.01 0.27 0.07 0.00 -2.27 0.00 0.00 179.45 177.53 1l8c h GLN 23 N 0.19 0.64 0.02 0.00 4.20 -1.21 0.08 115.11 119.03 1l8c h GLN 23 Ca 0.12 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1l8c h GLN 23 Cb 0.11 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1l8c h GLN 23 CO -0.14 0.43 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.34 1l8c h ARG 24 N 0.66 -0.03 -0.16 1.46 2.43 -0.94 -2.84 114.38 114.96 1l8c h ARG 24 Ca 0.32 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.54 1l8c h ARG 24 Cb 0.25 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 1l8c h ARG 24 CO -0.21 0.11 -0.27 0.00 -1.51 0.00 0.00 179.97 178.09 1l8c h ARG 25 N -0.16 -0.31 -0.44 0.20 3.08 -0.57 -1.43 114.38 114.75 1l8c h ARG 25 Ca -0.00 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.16 1l8c h ARG 25 Cb 0.15 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.18 1l8c h ARG 25 CO 0.00 -0.21 -0.13 1.49 -1.07 0.00 0.00 179.97 180.06 1l8c h GLU 26 N -0.33 -0.02 -0.30 0.04 4.57 -1.00 0.43 114.58 117.97 1l8c h GLU 26 Ca 0.11 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1l8c h GLU 26 Cb 0.49 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1l8c h GLU 26 CO -0.35 -0.02 0.13 1.96 -1.18 0.00 0.00 179.01 179.55 1l8c h GLN 27 N -0.02 0.44 0.71 1.92 4.20 -1.27 -2.97 115.11 118.11 1l8c h GLN 27 Ca 0.21 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1l8c h GLN 27 Cb 0.35 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1l8c h GLN 27 CO -0.46 0.45 -0.34 0.00 -0.67 0.00 0.00 178.83 177.80 1l8c h ALA 28 N 0.97 -0.95 -1.89 3.87 0.00 -0.79 -3.44 119.26 117.03 1l8c h ALA 28 Ca 0.10 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1l8c h ALA 28 Cb 0.16 0.37 -0.29 0.00 0.00 0.00 0.00 17.79 18.03 1l8c h ALA 28 CO -0.01 -1.00 -0.45 1.21 0.00 0.00 0.00 179.25 179.01 1l8c s ASN 29 N -4.40 0.02 0.09 0.00 3.84 0.10 -5.10 114.94 109.49 1l8c s ASN 29 Ca -0.17 0.39 -0.25 0.00 0.21 0.00 0.00 52.86 53.03 1l8c s ASN 29 Cb 0.03 1.25 0.09 0.00 -0.55 0.00 0.00 41.25 42.06 1l8c s ASN 29 CO 0.58 -0.29 1.16 -0.83 -2.79 0.00 0.00 177.10 174.93 1l8c s GLY 30 N 2.58 -0.01 0.00 1.21 0.00 -1.12 -4.31 107.32 105.67 1l8c s GLY 30 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.71 1l8c s GLY 30 CO -0.16 3.75 0.00 -2.21 0.00 0.00 0.00 173.10 174.48 1l8c n GLU 31 N -0.78 0.00 -0.02 2.90 2.13 -1.26 -5.02 120.64 118.59 1l8c n GLU 31 Ca -0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1l8c n GLU 31 Cb 0.59 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.30 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 0.00 -2.69 6.31 2.07 -2.00 -3.48 116.25 116.46 1l8c h VAL 32 Ca 0.00 -0.34 -0.25 0.00 0.82 0.00 0.00 66.70 66.93 1l8c h VAL 32 Cb 0.00 0.00 -0.33 0.00 -1.52 0.00 0.00 31.29 29.44 1l8c h VAL 32 CO 0.00 0.00 -0.56 -0.13 0.02 0.00 0.00 177.57 176.90 1l8c s ARG 33 N -1.37 0.17 0.00 1.57 0.52 -1.26 -5.01 118.95 113.57 1l8c s ARG 33 Ca -0.04 0.55 0.22 0.00 -0.52 0.00 0.00 55.73 55.95 1l8c s ARG 33 Cb 0.01 -0.44 1.05 0.00 0.52 0.00 0.00 34.95 36.08 1l8c s ARG 33 CO 0.06 -0.43 1.72 0.00 0.02 0.00 0.00 175.30 176.67 1l8c n ALA 34 N 5.34 2.09 -0.96 2.13 0.00 -1.26 -4.89 120.51 122.96 1l8c n ALA 34 Ca -0.06 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 1l8c n ALA 34 Cb 0.50 -1.36 0.20 0.00 0.00 0.00 0.00 19.45 18.79 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 -4.44 0.15 -4.41 0.00 7.64 -1.26 -5.11 113.62 106.20 1l8c n SER 36 Ca 0.04 -0.06 -0.33 0.00 1.01 0.00 0.00 58.87 59.53 1l8c n SER 36 Cb 0.56 0.14 -0.13 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.31 2.93 0.15 -3.43 1.43 -1.26 -5.06 118.68 113.13 1l8c s LEU 37 Ca 0.00 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.59 1l8c s LEU 37 Cb 0.00 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.56 1l8c s LEU 37 CO 0.00 0.14 1.61 -0.65 0.23 0.00 0.00 176.35 177.68 1l8c h PRO 38 N 6.90 -0.29 -0.00 1.29 0.11 -2.06 -2.88 132.00 135.06 1l8c h PRO 38 Ca -0.30 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1l8c h PRO 38 Cb 1.20 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1l8c h PRO 38 CO 0.59 -0.20 0.00 0.72 -0.21 0.00 0.00 178.00 178.90 1l8c n HIS 39 N -5.41 0.00 -0.24 0.65 8.25 -1.26 -4.22 115.22 112.99 1l8c n HIS 39 Ca -0.01 -0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.50 1l8c n HIS 39 Cb 0.33 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.61 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 0.25 0.15 0.18 0.00 3.08 -1.82 0.17 114.38 116.38 1l8c h ARG 41 Ca 0.41 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.46 1l8c h ARG 41 Cb 0.69 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1l8c h ARG 41 CO -0.52 0.10 -0.24 1.15 -1.07 0.00 0.00 179.97 179.39 1l8c h THR 42 N 0.16 0.47 -0.91 2.04 2.02 -1.49 -0.99 112.91 114.22 1l8c h THR 42 Ca 0.34 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.51 1l8c h THR 42 Cb 0.55 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1l8c h THR 42 CO -0.51 0.00 0.56 0.24 0.37 0.00 0.00 175.52 176.18 1l8c h MET 43 N -0.48 1.23 -0.23 6.66 2.86 -0.96 -1.32 114.93 122.70 1l8c h MET 43 Ca 0.01 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1l8c h MET 43 Cb 0.47 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1l8c h MET 43 CO -0.10 0.85 0.13 0.87 1.06 0.00 0.00 176.91 179.73 1l8c h LYS 44 N 1.25 0.31 -0.33 1.72 1.57 -0.42 0.20 116.57 120.87 1l8c h LYS 44 Ca 0.33 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.11 1l8c h LYS 44 Cb -0.07 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 1l8c h LYS 44 CO -0.06 0.27 0.11 -0.91 -0.57 0.00 0.00 179.45 178.29 1l8c h ASN 45 N 0.27 0.12 -0.23 0.86 2.35 -0.96 -1.73 115.58 116.26 1l8c h ASN 45 Ca 0.08 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1l8c h ASN 45 Cb 0.04 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1l8c h ASN 45 CO -0.01 0.10 0.07 0.58 -1.65 0.00 0.00 177.43 176.52 1l8c h VAL 46 N 0.25 0.94 -0.35 2.81 2.07 -1.01 -2.30 116.25 118.66 1l8c h VAL 46 Ca 0.15 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.68 1l8c h VAL 46 Cb 0.13 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1l8c h VAL 46 CO -0.16 0.03 -0.06 0.25 0.02 0.00 0.00 177.57 177.65 1l8c h LEU 47 N 0.18 -0.28 -0.66 2.57 7.12 -0.33 0.10 115.31 124.02 1l8c h LEU 47 Ca 0.10 0.10 0.02 0.00 0.13 0.00 0.00 57.88 58.22 1l8c h LEU 47 Cb 0.07 0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.36 1l8c h LEU 47 CO -0.10 -0.10 0.42 -1.13 -0.13 0.00 0.00 178.44 177.41 1l8c h ASN 48 N 0.03 0.72 0.16 1.25 -1.24 -1.21 -3.09 115.58 112.20 1l8c h ASN 48 Ca 0.17 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 1l8c h ASN 48 Cb 0.26 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.14 1l8c h ASN 48 CO -0.34 0.51 -0.08 -0.74 -1.29 0.00 0.00 177.43 175.49 1l8c h HIS 49 N 0.85 -0.20 -1.00 0.67 2.76 -0.83 -3.34 115.15 114.05 1l8c h HIS 49 Ca 0.25 -0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.59 1l8c h HIS 49 Cb -0.05 0.07 -0.17 0.00 1.55 0.00 0.00 27.41 28.80 1l8c h HIS 49 CO -0.04 0.13 -0.33 -1.33 -1.30 0.00 0.00 177.93 175.06 1l8c n MET 50 N -5.04 -0.18 -0.10 5.26 2.81 0.31 -1.04 117.12 119.15 1l8c n MET 50 Ca -0.09 1.55 -0.08 0.00 -1.81 0.00 0.00 57.70 57.27 1l8c n MET 50 Cb 0.22 -2.30 -0.00 0.00 -0.71 0.00 0.00 33.22 30.43 1l8c n MET 50 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1l8c h THR 51 N 0.00 1.03 -0.13 2.03 1.35 -1.66 -3.20 112.91 112.32 1l8c h THR 51 Ca 0.40 -0.13 -0.15 0.00 -0.55 0.00 0.00 66.41 65.98 1l8c h THR 51 Cb 0.65 0.61 0.01 0.00 -1.73 0.00 0.00 68.15 67.68 1l8c h THR 51 CO -1.01 0.07 -0.49 0.45 -0.25 0.00 0.00 175.52 174.29 1l8c h HIS 52 N 0.39 0.75 -2.39 4.73 3.86 -1.52 -3.45 115.15 117.52 1l8c h HIS 52 Ca 0.13 -0.32 -0.53 0.00 -1.16 0.00 0.00 60.37 58.50 1l8c h HIS 52 Cb 0.01 -0.12 0.02 0.00 1.06 0.00 0.00 27.41 28.38 1l8c h HIS 52 CO -0.08 1.09 1.22 0.00 0.86 0.00 0.00 177.93 181.02 1l8c n GLN 54 N 7.27 0.42 -0.18 0.00 6.02 -1.26 -4.56 117.38 125.09 1l8c n GLN 54 Ca 0.20 -0.01 -0.03 0.00 -0.01 0.00 0.00 57.00 57.14 1l8c n GLN 54 Cb 0.41 -1.44 0.16 0.00 1.02 0.00 0.00 30.24 30.39 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 2.78 1.19 -0.95 -1.58 0.00 -1.97 -3.47 119.26 115.26 1l8c h ALA 55 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1l8c h ALA 55 Cb 0.49 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1l8c h ALA 55 CO 0.00 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1l8c n GLY 56 N -0.91 1.12 0.35 0.00 0.00 -1.26 -2.40 105.19 102.09 1l8c n GLY 56 Ca 0.05 0.42 0.02 0.00 0.00 0.00 0.00 46.02 46.51 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 1.04 0.00 1.61 1.79 -1.91 -2.99 116.57 116.10 1l8c h LYS 57 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1l8c h LYS 57 Cb 0.00 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.42 1l8c h LYS 57 CO 0.00 0.69 0.00 0.00 -1.08 0.00 0.00 179.45 179.06 1l8c h ALA 58 N 1.43 1.00 -2.51 3.86 0.00 -1.88 -3.46 119.26 117.71 1l8c h ALA 58 Ca 0.40 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.78 1l8c h ALA 58 Cb 0.18 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.00 1l8c h ALA 58 CO -0.18 0.00 0.93 0.00 0.00 0.00 0.00 179.25 180.01 1l8c h GLN 60 N 7.65 0.06 -6.27 0.00 4.20 -1.91 -3.42 115.11 115.41 1l8c h GLN 60 Ca -0.42 -0.01 -0.55 0.00 0.06 0.00 0.00 58.65 57.72 1l8c h GLN 60 Cb 1.20 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 1l8c h GLN 60 CO 0.92 0.28 1.18 0.08 -0.67 0.00 0.00 178.83 180.61 1l8c s VAL 61 N -4.54 3.36 0.14 -0.54 1.01 -1.26 -4.93 120.40 113.64 1l8c s VAL 61 Ca -0.04 0.43 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 1l8c s VAL 61 Cb 0.15 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1l8c s VAL 61 CO 0.71 -0.07 1.58 0.00 0.00 0.00 0.00 175.10 177.32 1l8c h ALA 62 N 10.52 -0.52 -0.63 5.51 0.00 -2.01 -2.39 119.26 129.75 1l8c h ALA 62 Ca -0.42 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1l8c h ALA 62 Cb 1.20 0.84 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 1l8c h ALA 62 CO 0.96 -0.90 0.41 0.45 0.00 0.00 0.00 179.25 180.17 1l8c h HIS 63 N -0.42 0.78 -0.37 0.00 3.86 -1.97 -1.29 115.15 115.73 1l8c h HIS 63 Ca 0.10 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 1l8c h HIS 63 Cb 0.61 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 1l8c h HIS 63 CO -0.55 0.48 0.17 0.00 0.86 0.00 0.00 177.93 178.89 1l8c h ALA 65 N 1.21 -0.68 -0.03 0.00 0.00 -1.32 -3.35 119.26 115.09 1l8c h ALA 65 Ca 0.16 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1l8c h ALA 65 Cb 0.09 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1l8c h ALA 65 CO -0.13 -0.79 -0.22 0.77 0.00 0.00 0.00 179.25 178.88 1l8c h SER 66 N -0.86 -0.66 -0.87 0.00 0.02 -1.08 -3.24 113.55 106.86 1l8c h SER 66 Ca -0.07 0.10 0.23 0.00 -0.84 0.00 0.00 61.79 61.21 1l8c h SER 66 Cb 0.59 0.28 -0.14 0.00 0.14 0.00 0.00 62.40 63.27 1l8c h SER 66 CO 0.11 -0.28 0.19 0.77 -1.14 0.00 0.00 176.83 176.48 1l8c h SER 67 N -0.33 -0.09 -0.93 3.07 4.64 -1.05 -1.42 113.55 117.45 1l8c h SER 67 Ca 0.07 0.20 0.09 0.00 -0.47 0.00 0.00 61.79 61.69 1l8c h SER 67 Cb 0.43 0.30 -0.07 0.00 -0.31 0.00 0.00 62.40 62.74 1l8c h SER 67 CO -0.22 -0.18 0.57 0.03 -0.87 0.00 0.00 176.83 176.16 1l8c h ARG 68 N 0.17 0.94 0.10 4.77 3.08 -1.69 -2.51 114.38 119.24 1l8c h ARG 68 Ca 0.54 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.53 1l8c h ARG 68 Cb 1.08 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1l8c h ARG 68 CO -0.68 0.62 -0.05 1.96 -1.07 0.00 0.00 179.97 180.76 1l8c h GLN 69 N 0.97 -0.12 -0.69 0.04 7.50 -1.42 -1.97 115.11 119.42 1l8c h GLN 69 Ca 0.43 0.01 0.11 0.00 0.50 0.00 0.00 58.65 59.70 1l8c h GLN 69 Cb 0.33 0.03 -0.08 0.00 0.05 0.00 0.00 27.48 27.81 1l8c h GLN 69 CO -0.22 0.22 0.30 -0.84 -1.50 0.00 0.00 178.83 176.78 1l8c h ILE 70 N -0.48 0.77 -0.31 2.54 3.07 -1.37 0.75 117.51 122.49 1l8c h ILE 70 Ca -0.01 -0.17 -0.17 0.00 1.55 0.00 0.00 64.86 66.05 1l8c h ILE 70 Cb 0.40 0.23 -0.00 0.00 -0.27 0.00 0.00 36.82 37.18 1l8c h ILE 70 CO 0.02 0.09 -0.48 0.40 -1.05 0.00 0.00 178.15 177.13 1l8c h ILE 71 N 0.50 1.28 -0.04 0.16 1.08 -1.54 -2.48 117.51 116.46 1l8c h ILE 71 Ca 0.35 -1.67 0.04 0.00 -0.39 0.00 0.00 64.86 63.19 1l8c h ILE 71 Cb 0.44 1.56 -0.05 0.00 -3.07 0.00 0.00 36.82 35.70 1l8c h ILE 71 CO -0.31 0.55 -0.24 0.28 -0.69 0.00 0.00 178.15 177.73 1l8c h SER 72 N 0.66 -0.71 0.22 1.72 0.02 -0.52 -2.56 113.55 112.38 1l8c h SER 72 Ca 0.03 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1l8c h SER 72 Cb 1.07 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 1l8c h SER 72 CO 0.11 -0.30 -0.27 -0.74 -1.14 0.00 0.00 176.83 174.49 1l8c h HIS 73 N -0.35 -0.76 -0.58 3.45 -0.00 -0.85 -2.09 115.15 113.97 1l8c h HIS 73 Ca 0.07 0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.57 1l8c h HIS 73 Cb 0.45 0.30 -0.10 0.00 -0.00 0.00 0.00 27.41 28.07 1l8c h HIS 73 CO -0.30 -0.35 0.02 2.35 -0.00 0.00 0.00 177.93 179.65 1l8c h TRP 74 N -0.51 -0.01 -0.48 5.26 7.01 -1.42 0.73 115.95 126.53 1l8c h TRP 74 Ca -0.03 0.04 -0.09 0.00 2.11 0.00 0.00 58.89 60.92 1l8c h TRP 74 Cb 0.45 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.59 1l8c h TRP 74 CO -0.21 -0.13 -0.05 -0.22 -2.79 0.00 0.00 178.44 175.03 1l8c h LYS 75 N 0.13 0.89 -0.24 2.65 3.64 -1.47 -3.27 116.57 118.90 1l8c h LYS 75 Ca 0.30 -0.31 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1l8c h LYS 75 Cb 0.47 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1l8c h LYS 75 CO -0.48 0.95 -0.53 -0.91 -2.27 0.00 0.00 179.45 176.21 1l8c h ASN 76 N 0.74 0.88 -2.41 4.20 2.35 -0.89 -3.46 115.58 116.99 1l8c h ASN 76 Ca 0.13 -0.55 -0.56 0.00 -0.55 0.00 0.00 56.30 54.77 1l8c h ASN 76 Cb 0.58 -0.26 0.06 0.00 0.05 0.00 0.00 38.32 38.76 1l8c h ASN 76 CO 0.04 1.28 0.89 0.00 -1.65 0.00 0.00 177.43 177.98 1l8c n THR 78 N 3.68 0.79 -2.00 0.00 -2.24 -1.26 -4.97 114.28 108.28 1l8c n THR 78 Ca 0.17 -0.85 -0.41 0.00 -2.27 0.00 0.00 64.05 60.68 1l8c n THR 78 Cb 0.31 0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.95 4.27 0.45 -0.78 6.06 -1.26 -4.96 118.95 121.77 1l8c s ARG 79 Ca 0.05 2.34 0.25 0.00 -2.50 0.00 0.00 55.73 55.87 1l8c s ARG 79 Cb 0.05 -3.04 0.93 0.00 0.06 0.00 0.00 34.95 32.94 1l8c s ARG 79 CO 0.00 -0.32 1.82 0.45 -2.50 0.00 0.00 175.30 174.76 1l8c h HIS 80 N 3.39 0.00 -0.19 5.12 3.86 -2.02 -3.37 115.15 121.94 1l8c h HIS 80 Ca -0.49 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.51 1l8c h HIS 80 Cb 1.23 0.00 -0.37 0.00 1.06 0.00 0.00 27.41 29.33 1l8c h HIS 80 CO 0.55 0.19 -1.00 -0.40 0.86 0.00 0.00 177.93 178.13 1l8c n ASP 81 N -3.33 1.04 -4.76 2.45 5.75 -1.26 -4.89 116.55 111.55 1l8c n ASP 81 Ca 0.00 -2.02 -0.41 0.00 -0.01 0.00 0.00 54.79 52.35 1l8c n ASP 81 Cb 0.43 -0.30 -0.02 0.00 -1.03 0.00 0.00 41.12 40.20 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 1.64 0.00 0.02 0.00 -0.04 -1.26 -2.48 135.00 132.88 1l8c n PRO 83 Ca 0.05 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 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 -1.50 0.23 -0.18 0.52 0.31 -1.26 -4.76 118.33 111.69 1l8c n VAL 84 Ca 0.00 0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.40 1l8c n VAL 84 Cb 0.01 -1.20 0.09 0.00 -0.91 0.00 0.00 33.84 31.83 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 0.34 -0.88 -0.94 0.00 7.12 -1.77 0.32 115.31 119.50 1l8c h LEU 86 Ca 0.28 0.03 0.14 0.00 0.13 0.00 0.00 57.88 58.46 1l8c h LEU 86 Cb 0.35 0.23 -0.09 0.00 -0.53 0.00 0.00 40.66 40.62 1l8c h LEU 86 CO -0.31 -0.61 0.55 1.55 -0.13 0.00 0.00 178.44 179.49 1l8c h PRO 87 N -1.00 0.79 0.76 5.25 0.13 -1.76 -0.24 132.00 135.93 1l8c h PRO 87 Ca -0.10 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.94 1l8c h PRO 87 Cb 0.77 -0.18 0.01 0.00 0.13 0.00 0.00 31.00 31.73 1l8c h PRO 87 CO 0.16 0.52 -0.37 -0.07 -0.23 0.00 0.00 178.00 178.01 1l8c h LEU 88 N 0.81 -0.86 -1.41 1.56 3.38 -1.38 -1.09 115.31 116.31 1l8c h LEU 88 Ca 0.49 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.52 1l8c h LEU 88 Cb 0.61 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1l8c h LEU 88 CO -0.32 -0.58 0.43 0.07 0.09 0.00 0.00 178.44 178.13 1l8c h LYS 89 N -1.08 0.75 0.11 1.13 2.10 -0.53 0.09 116.57 119.14 1l8c h LYS 89 Ca -0.10 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.50 1l8c h LYS 89 Cb 0.80 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1l8c h LYS 89 CO 0.17 0.49 -0.05 -0.97 -2.00 0.00 0.00 179.45 177.09 1l8c h ASN 90 N 0.77 -0.13 -0.43 7.07 -0.73 -1.05 -3.29 115.58 117.79 1l8c h ASN 90 Ca 0.26 -0.25 -0.02 0.00 1.87 0.00 0.00 56.30 58.17 1l8c h ASN 90 Cb 0.08 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 1l8c h ASN 90 CO -0.07 0.18 0.21 0.00 -0.37 0.00 0.00 177.43 177.38 1l8c h ALA 91 N 0.40 0.55 -2.10 1.57 0.00 -0.87 -3.44 119.26 115.37 1l8c h ALA 91 Ca -0.02 -0.11 -0.60 0.00 0.00 0.00 0.00 54.91 54.19 1l8c h ALA 91 Cb 0.37 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1l8c h ALA 91 CO 0.03 0.11 1.12 0.43 0.00 0.00 0.00 179.25 180.94 1l8c n SER 92 N -4.67 3.59 -4.56 0.00 7.64 -0.01 -4.90 113.62 110.71 1l8c n SER 92 Ca 0.01 0.96 -0.34 0.00 1.01 0.00 0.00 58.87 60.51 1l8c n SER 92 Cb 0.11 -1.40 -0.04 0.00 -1.01 0.00 0.00 64.21 61.87 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 4.09 5.58 0.05 6.43 2.15 -1.26 -4.93 116.67 128.78 1l8c s ASP 93 Ca 0.92 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 53.28 1l8c s ASP 93 Cb -0.64 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 39.39 1l8c s ASP 93 CO 0.49 -2.30 -0.04 -0.54 -0.17 0.00 0.00 175.17 172.62 1l8c s LYS 94 N 6.43 0.53 0.00 4.34 -0.14 -1.26 -5.23 119.74 124.40 1l8c s LYS 94 Ca 0.60 -0.98 0.06 0.00 -1.36 0.00 0.00 55.97 54.30 1l8c s LYS 94 Cb -0.07 0.07 0.35 0.00 -1.68 0.00 0.00 37.83 36.50 1l8c s LYS 94 CO 0.03 -0.06 0.82 0.54 -0.76 0.00 0.00 175.35 175.92