#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 4.50 0.00 0.00 -4.77 -1.26 -4.94 116.67 110.21 1l8c s ASP 2 Ca 0.00 -3.52 0.00 0.00 -3.30 0.00 0.00 52.55 45.73 1l8c s ASP 2 Cb 0.00 -1.57 0.00 0.00 -1.09 0.00 0.00 42.92 40.26 1l8c s ASP 2 CO 0.00 -0.14 0.00 -0.81 0.70 0.00 0.00 175.17 174.92 1l8c n PRO 3 N 2.42 0.00 0.27 2.11 -0.04 -1.26 -4.37 135.00 134.12 1l8c n PRO 3 Ca 0.15 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.79 1l8c n PRO 3 Cb 0.34 0.00 0.95 0.00 -0.04 0.00 0.00 33.50 34.75 1l8c n PRO 3 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1l8c h GLU 4 N 0.00 0.00 0.00 0.54 3.07 -2.03 -2.39 114.58 113.77 1l8c h GLU 4 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1l8c h GLU 4 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1l8c h GLU 4 CO 0.00 0.00 -0.02 0.87 -1.40 0.00 0.00 179.01 178.46 1l8c h LYS 5 N 0.00 0.00 -0.10 2.33 1.57 -1.92 -2.20 116.57 116.25 1l8c h LYS 5 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1l8c h LYS 5 Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1l8c h LYS 5 CO 0.00 0.02 -0.24 0.00 -0.57 0.00 0.00 179.45 178.66 1l8c h ARG 6 N 0.00 -0.31 -0.28 3.15 3.08 -1.63 0.11 114.38 118.50 1l8c h ARG 6 Ca -0.00 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.13 1l8c h ARG 6 Cb 0.09 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1l8c h ARG 6 CO 0.00 -0.21 -0.05 0.87 -1.07 0.00 0.00 179.97 179.52 1l8c h LYS 7 N -0.32 0.03 0.33 0.04 1.57 -1.62 -0.55 116.57 116.04 1l8c h LYS 7 Ca 0.09 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1l8c h LYS 7 Cb 0.46 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1l8c h LYS 7 CO -0.29 0.02 -0.31 -0.07 -0.57 0.00 0.00 179.45 178.23 1l8c h LEU 8 N 0.03 -0.84 0.01 2.94 3.38 -1.41 -0.92 115.31 118.50 1l8c h LEU 8 Ca 0.14 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1l8c h LEU 8 Cb 0.20 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1l8c h LEU 8 CO -0.27 -0.45 -0.10 0.40 0.09 0.00 0.00 178.44 178.11 1l8c h ILE 9 N -0.66 0.75 -0.40 1.22 2.04 -0.84 -1.32 117.51 118.30 1l8c h ILE 9 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1l8c h ILE 9 Cb 0.60 0.75 -0.09 0.00 -0.74 0.00 0.00 36.82 37.34 1l8c h ILE 9 CO -0.05 0.00 -0.21 1.56 0.00 0.00 0.00 178.15 179.45 1l8c h GLN 10 N -0.18 -0.13 0.38 2.37 4.20 -1.02 -0.54 115.11 120.19 1l8c h GLN 10 Ca 0.03 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1l8c h GLN 10 Cb 0.22 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1l8c h GLN 10 CO -0.09 -0.09 -0.39 0.37 -0.67 0.00 0.00 178.83 177.96 1l8c h GLN 11 N -0.13 -0.75 -0.94 1.46 4.15 -0.91 -2.41 115.11 115.58 1l8c h GLN 11 Ca 0.20 0.05 0.13 0.00 0.77 0.00 0.00 58.65 59.80 1l8c h GLN 11 Cb 0.44 0.17 -0.09 0.00 0.21 0.00 0.00 27.48 28.21 1l8c h GLN 11 CO -0.48 -0.50 0.56 1.96 -1.93 0.00 0.00 178.83 178.44 1l8c h GLN 12 N -0.78 0.82 0.41 1.69 1.08 -0.99 0.43 115.11 117.79 1l8c h GLN 12 Ca -0.05 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1l8c h GLN 12 Cb 0.67 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1l8c h GLN 12 CO -0.05 0.55 -0.26 1.25 -0.95 0.00 0.00 178.83 179.36 1l8c h LEU 13 N 0.85 -0.65 -0.12 1.46 6.46 -1.03 -0.51 115.31 121.77 1l8c h LEU 13 Ca 0.49 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 58.29 1l8c h LEU 13 Cb 0.56 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 1l8c h LEU 13 CO -0.30 -0.41 0.05 0.58 -0.62 0.00 0.00 178.44 177.74 1l8c h VAL 14 N -0.65 1.00 -0.51 1.05 2.07 -0.94 -1.85 116.25 116.42 1l8c h VAL 14 Ca -0.04 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1l8c h VAL 14 Cb 0.53 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1l8c h VAL 14 CO 0.04 0.02 0.23 -0.07 0.02 0.00 0.00 177.57 177.82 1l8c h LEU 15 N 0.12 0.31 -0.49 2.57 3.38 -0.83 0.07 115.31 120.44 1l8c h LEU 15 Ca 0.05 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1l8c h LEU 15 Cb 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1l8c h LEU 15 CO -0.04 0.21 0.21 0.25 0.09 0.00 0.00 178.44 179.17 1l8c h LEU 16 N 0.45 0.66 -0.15 1.67 5.85 -0.96 -0.10 115.31 122.72 1l8c h LEU 16 Ca 0.24 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1l8c h LEU 16 Cb 0.19 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1l8c h LEU 16 CO -0.19 0.63 0.09 -0.07 -0.34 0.00 0.00 178.44 178.56 1l8c h LEU 17 N 0.64 0.15 -0.10 2.25 3.38 -1.03 -2.81 115.31 117.80 1l8c h LEU 17 Ca 0.16 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1l8c h LEU 17 Cb 0.17 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1l8c h LEU 17 CO -0.02 0.11 -0.26 -0.74 0.09 0.00 0.00 178.44 177.63 1l8c h HIS 18 N 0.19 -0.69 -1.00 1.13 2.76 -0.78 -1.64 115.15 115.12 1l8c h HIS 18 Ca 0.06 0.03 0.17 0.00 -2.20 0.00 0.00 60.37 58.43 1l8c h HIS 18 Cb -0.01 0.32 -0.17 0.00 1.55 0.00 0.00 27.41 29.10 1l8c h HIS 18 CO -0.08 -0.34 -0.33 0.00 -1.30 0.00 0.00 177.93 175.88 1l8c n ALA 19 N -2.73 0.03 0.14 5.26 0.00 -0.07 -0.15 120.51 122.98 1l8c n ALA 19 Ca -0.03 1.04 -0.23 0.00 0.00 0.00 0.00 53.44 54.22 1l8c n ALA 19 Cb 0.29 -0.53 -0.15 0.00 0.00 0.00 0.00 19.45 19.05 1l8c n ALA 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1l8c h HIS 20 N 0.00 0.87 -0.99 0.00 6.17 -1.50 -3.19 115.15 116.51 1l8c h HIS 20 Ca 0.40 -0.64 0.12 0.00 0.71 0.00 0.00 60.37 60.97 1l8c h HIS 20 Cb 0.65 -0.03 -0.09 0.00 2.52 0.00 0.00 27.41 30.46 1l8c h HIS 20 CO -0.83 1.51 0.62 -0.22 0.71 0.00 0.00 177.93 179.72 1l8c h LYS 21 N 0.13 0.94 0.52 5.26 3.64 -0.25 0.61 116.57 127.43 1l8c h LYS 21 Ca -0.23 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1l8c h LYS 21 Cb 2.13 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 33.72 1l8c h LYS 21 CO 0.26 0.62 -0.47 0.00 -2.27 0.00 0.00 179.45 177.59 1l8c h GLN 23 N -0.99 -0.19 -0.36 0.00 4.20 -1.43 -2.08 115.11 114.26 1l8c h GLN 23 Ca -0.06 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.72 1l8c h GLN 23 Cb 0.85 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.62 1l8c h GLN 23 CO -0.03 -0.12 0.02 -0.09 -0.67 0.00 0.00 178.83 177.93 1l8c h ARG 24 N -0.19 0.12 -0.48 1.46 9.65 -0.75 -1.59 114.38 122.59 1l8c h ARG 24 Ca 0.10 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.00 1l8c h ARG 24 Cb 0.34 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 1l8c h ARG 24 CO -0.26 0.08 0.28 -0.09 2.80 0.00 0.00 179.97 182.78 1l8c h ARG 25 N 0.12 0.55 -0.77 0.20 2.43 -0.78 -2.71 114.38 113.43 1l8c h ARG 25 Ca 0.18 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1l8c h ARG 25 Cb 0.23 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1l8c h ARG 25 CO -0.28 0.36 0.51 1.49 -1.51 0.00 0.00 179.97 180.55 1l8c h GLU 26 N 0.57 0.97 -0.37 0.20 4.57 -0.74 0.92 114.58 120.70 1l8c h GLU 26 Ca 0.19 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.37 1l8c h GLU 26 Cb 0.02 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 28.35 1l8c h GLU 26 CO -0.09 0.64 0.09 1.96 -1.18 0.00 0.00 179.01 180.44 1l8c h GLN 27 N 1.00 0.22 -0.29 1.92 4.20 -0.98 -2.64 115.11 118.55 1l8c h GLN 27 Ca 0.29 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.92 1l8c h GLN 27 Cb -0.05 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1l8c h GLN 27 CO -0.07 0.14 -0.09 0.00 -0.67 0.00 0.00 178.83 178.14 1l8c h ALA 28 N 1.26 0.40 -1.69 3.87 0.00 -1.41 -3.50 119.26 118.18 1l8c h ALA 28 Ca 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1l8c h ALA 28 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1l8c h ALA 28 CO -0.21 0.24 -0.43 -1.71 0.00 0.00 0.00 179.25 177.14 1l8c n ASN 29 N -4.47 -4.14 -3.57 0.00 2.85 0.29 -5.13 115.26 101.08 1l8c n ASN 29 Ca -0.03 0.71 -0.11 0.00 -0.11 0.00 0.00 54.58 55.04 1l8c n ASN 29 Cb 0.33 -1.70 -0.03 0.00 1.24 0.00 0.00 39.78 39.63 1l8c n ASN 29 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1l8c s GLY 30 N -3.38 -0.40 0.03 8.20 0.00 -1.26 -5.01 107.32 105.50 1l8c s GLY 30 Ca 0.00 0.17 -0.26 0.00 0.00 0.00 0.00 44.72 44.64 1l8c s GLY 30 CO 0.00 0.00 1.40 -2.09 0.00 0.00 0.00 173.10 172.42 1l8c h GLU 31 N 2.06 -0.31 -6.64 2.90 4.81 -2.01 -3.44 114.58 111.96 1l8c h GLU 31 Ca -0.30 0.02 -0.53 0.00 -0.13 0.00 0.00 59.36 58.42 1l8c h GLU 31 Cb 1.29 0.07 0.04 0.00 0.63 0.00 0.00 28.75 30.78 1l8c h GLU 31 CO 0.36 -0.04 0.78 0.08 -0.73 0.00 0.00 179.01 179.47 1l8c s VAL 32 N -5.12 2.85 0.32 0.32 1.01 -1.26 -4.95 120.40 113.57 1l8c s VAL 32 Ca -0.15 0.65 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 1l8c s VAL 32 Cb 0.03 -3.41 -0.13 0.00 0.00 0.00 0.00 36.38 32.86 1l8c s VAL 32 CO 0.60 0.07 0.92 -2.11 0.00 0.00 0.00 175.10 174.58 1l8c n ARG 33 N 3.33 1.17 -0.02 2.72 1.85 -1.26 -4.99 116.66 119.47 1l8c n ARG 33 Ca 0.10 0.41 -0.01 0.00 -1.00 0.00 0.00 57.85 57.36 1l8c n ARG 33 Cb 0.40 -1.78 -0.00 0.00 -1.05 0.00 0.00 32.46 30.03 1l8c n ARG 33 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1l8c h ALA 34 N 1.71 0.00 -2.82 2.89 0.00 -1.92 -3.47 119.26 115.65 1l8c h ALA 34 Ca -0.40 -0.12 -0.51 0.00 0.00 0.00 0.00 54.91 53.88 1l8c h ALA 34 Cb 1.35 0.06 0.04 0.00 0.00 0.00 0.00 17.79 19.24 1l8c h ALA 34 CO 0.59 0.06 0.56 0.00 0.00 0.00 0.00 179.25 180.45 1l8c n SER 36 N 1.22 0.08 -4.75 0.00 3.41 -1.26 -5.11 113.62 107.21 1l8c n SER 36 Ca 0.00 0.35 -0.41 0.00 -0.26 0.00 0.00 58.87 58.55 1l8c n SER 36 Cb 0.43 0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 1l8c n SER 36 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1l8c s LEU 37 N -6.62 4.35 0.12 1.04 1.43 -1.26 -4.97 118.68 112.77 1l8c s LEU 37 Ca 0.00 2.91 -0.15 0.00 -1.03 0.00 0.00 54.13 55.86 1l8c s LEU 37 Cb 0.00 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 1l8c s LEU 37 CO 0.00 -0.87 1.55 1.55 0.23 0.00 0.00 176.35 178.81 1l8c h PRO 38 N 4.62 0.71 0.00 1.29 0.13 -2.04 -3.16 132.00 133.55 1l8c h PRO 38 Ca -0.47 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1l8c h PRO 38 Cb 1.22 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1l8c h PRO 38 CO 0.77 0.82 0.00 0.72 -0.23 0.00 0.00 178.00 180.08 1l8c n HIS 39 N -4.42 0.00 -0.17 1.56 8.25 -1.26 -3.43 115.22 115.75 1l8c n HIS 39 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1l8c n HIS 39 Cb 0.31 -0.48 0.07 0.00 1.12 0.00 0.00 29.99 31.02 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 0.15 -0.02 0.16 0.00 9.65 -1.81 0.22 114.38 122.72 1l8c h ARG 41 Ca 0.27 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.14 1l8c h ARG 41 Cb 0.41 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1l8c h ARG 41 CO -0.42 -0.01 -0.08 1.15 2.80 0.00 0.00 179.97 183.41 1l8c h THR 42 N -0.02 0.91 -0.80 0.20 2.02 -1.68 -2.59 112.91 110.95 1l8c h THR 42 Ca 0.32 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.28 1l8c h THR 42 Cb 0.51 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 1l8c h THR 42 CO -0.71 0.06 0.53 0.24 0.37 0.00 0.00 175.52 176.01 1l8c h MET 43 N -0.33 0.94 -0.74 6.66 2.86 -0.66 -1.25 114.93 122.41 1l8c h MET 43 Ca -0.02 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1l8c h MET 43 Cb 0.26 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1l8c h MET 43 CO 0.04 0.62 0.35 0.87 1.06 0.00 0.00 176.91 179.85 1l8c h LYS 44 N 0.97 1.06 -0.05 1.72 1.57 -0.52 0.16 116.57 121.49 1l8c h LYS 44 Ca 0.32 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1l8c h LYS 44 Cb 0.07 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1l8c h LYS 44 CO -0.10 0.83 0.02 -0.91 -0.57 0.00 0.00 179.45 178.73 1l8c h ASN 45 N 1.03 0.06 -0.14 0.86 2.35 -1.03 -1.63 115.58 117.08 1l8c h ASN 45 Ca 0.25 -0.10 0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1l8c h ASN 45 Cb 0.12 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 1l8c h ASN 45 CO -0.03 0.14 -0.15 0.58 -1.65 0.00 0.00 177.43 176.31 1l8c h VAL 46 N -0.03 0.59 -0.16 2.81 2.07 -0.95 -1.70 116.25 118.88 1l8c h VAL 46 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1l8c h VAL 46 Cb 0.09 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1l8c h VAL 46 CO -0.00 0.00 -0.28 0.25 0.02 0.00 0.00 177.57 177.56 1l8c h LEU 47 N -0.19 -0.86 -0.49 2.57 7.12 -0.62 0.13 115.31 122.98 1l8c h LEU 47 Ca 0.10 0.14 0.07 0.00 0.13 0.00 0.00 57.88 58.31 1l8c h LEU 47 Cb 0.33 0.38 -0.06 0.00 -0.53 0.00 0.00 40.66 40.78 1l8c h LEU 47 CO -0.25 -0.32 0.16 -1.13 -0.13 0.00 0.00 178.44 176.77 1l8c h ASN 48 N -0.33 0.14 -0.13 1.25 -1.24 -1.11 -2.54 115.58 111.62 1l8c h ASN 48 Ca 0.11 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 1l8c h ASN 48 Cb 0.50 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 1l8c h ASN 48 CO -0.35 0.11 0.07 -0.74 -1.29 0.00 0.00 177.43 175.23 1l8c h HIS 49 N 0.32 0.18 -0.86 0.67 2.76 -0.85 -3.29 115.15 114.08 1l8c h HIS 49 Ca 0.24 -0.00 0.22 0.00 -2.20 0.00 0.00 60.37 58.62 1l8c h HIS 49 Cb 0.27 -0.06 -0.13 0.00 1.55 0.00 0.00 27.41 29.04 1l8c h HIS 49 CO -0.18 0.20 0.26 1.98 -1.30 0.00 0.00 177.93 178.89 1l8c h MET 50 N 0.10 0.25 -0.37 5.26 4.05 -0.32 -0.76 114.93 123.14 1l8c h MET 50 Ca 0.04 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.40 1l8c h MET 50 Cb 0.08 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1l8c h MET 50 CO -0.01 0.17 0.04 1.79 0.23 0.00 0.00 176.91 179.13 1l8c h THR 51 N 0.26 1.25 0.13 -0.77 1.35 -1.59 -3.31 112.91 110.23 1l8c h THR 51 Ca 0.53 -0.91 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 1l8c h THR 51 Cb 1.04 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1l8c h THR 51 CO -0.60 0.31 -0.06 0.45 -0.25 0.00 0.00 175.52 175.36 1l8c h HIS 52 N 0.47 -0.17 -4.05 4.73 3.86 -1.53 -3.45 115.15 115.01 1l8c h HIS 52 Ca 0.11 -0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.78 1l8c h HIS 52 Cb 0.41 0.06 0.11 0.00 1.06 0.00 0.00 27.41 29.05 1l8c h HIS 52 CO 0.03 0.28 0.54 0.00 0.86 0.00 0.00 177.93 179.64 1l8c n GLN 54 N -1.07 0.53 0.00 0.00 6.02 -1.26 -4.83 117.38 116.77 1l8c n GLN 54 Ca 0.11 -0.64 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 1l8c n GLN 54 Cb 0.47 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 30.98 1l8c n GLN 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1l8c n ALA 55 N -0.13 0.00 -0.08 -1.58 0.00 -1.26 -4.93 120.51 112.52 1l8c n ALA 55 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1l8c n ALA 55 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1l8c n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l8c n GLY 56 N 2.16 1.45 0.33 0.00 0.00 -1.26 -4.47 105.19 103.40 1l8c n GLY 56 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.04 -0.02 1.61 1.79 -1.92 -2.97 116.57 115.03 1l8c h LYS 57 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1l8c h LYS 57 Cb 0.00 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1l8c h LYS 57 CO 0.00 -0.02 0.00 0.00 -1.08 0.00 0.00 179.45 178.35 1l8c n ALA 58 N -3.34 2.15 -1.77 3.86 0.00 -1.26 -5.01 120.51 115.14 1l8c n ALA 58 Ca 0.10 -1.77 -0.39 0.00 0.00 0.00 0.00 53.44 51.38 1l8c n ALA 58 Cb 0.40 -0.20 -0.00 0.00 0.00 0.00 0.00 19.45 19.65 1l8c n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8c h GLN 60 N 2.54 1.16 -6.31 0.00 4.20 -1.97 -3.41 115.11 111.32 1l8c h GLN 60 Ca -0.50 -0.12 -0.57 0.00 0.06 0.00 0.00 58.65 57.52 1l8c h GLN 60 Cb 1.25 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 1l8c h GLN 60 CO 0.62 0.84 1.10 0.08 -0.67 0.00 0.00 178.83 180.80 1l8c s VAL 61 N -5.90 3.78 0.16 -0.54 1.01 -1.26 -4.93 120.40 112.72 1l8c s VAL 61 Ca -0.13 0.87 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 1l8c s VAL 61 Cb 0.16 -3.82 0.06 0.00 0.00 0.00 0.00 36.38 32.77 1l8c s VAL 61 CO 0.81 -0.37 1.70 0.00 0.00 0.00 0.00 175.10 177.25 1l8c h ALA 62 N 10.59 0.32 -0.27 5.51 0.00 -1.97 -2.59 119.26 130.85 1l8c h ALA 62 Ca -0.32 0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1l8c h ALA 62 Cb 1.14 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1l8c h ALA 62 CO 1.02 -0.40 0.21 0.45 0.00 0.00 0.00 179.25 180.52 1l8c h HIS 63 N 0.09 0.00 -0.17 0.00 3.86 -1.95 -2.69 115.15 114.29 1l8c h HIS 63 Ca 0.18 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.42 1l8c h HIS 63 Cb 0.25 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 1l8c h HIS 63 CO -0.26 0.00 -0.02 0.00 0.86 0.00 0.00 177.93 178.52 1l8c h ALA 65 N 1.15 -0.24 0.53 0.00 0.00 -1.56 -2.98 119.26 116.16 1l8c h ALA 65 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1l8c h ALA 65 Cb 0.11 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1l8c h ALA 65 CO -0.15 -0.68 -0.32 0.77 0.00 0.00 0.00 179.25 178.87 1l8c h SER 66 N -0.30 -0.81 -0.84 0.00 0.02 -1.45 -3.13 113.55 107.04 1l8c h SER 66 Ca 0.04 0.04 0.18 0.00 -0.84 0.00 0.00 61.79 61.22 1l8c h SER 66 Cb 0.35 0.24 -0.11 0.00 0.14 0.00 0.00 62.40 63.02 1l8c h SER 66 CO -0.14 -0.50 0.35 0.77 -1.14 0.00 0.00 176.83 176.18 1l8c h SER 67 N -0.80 0.32 0.10 3.07 4.64 -0.99 -1.20 113.55 118.70 1l8c h SER 67 Ca -0.07 0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1l8c h SER 67 Cb 0.64 0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1l8c h SER 67 CO 0.08 0.07 -0.06 0.03 -0.87 0.00 0.00 176.83 176.07 1l8c h ARG 68 N 0.44 -0.15 0.32 4.77 3.08 -1.60 -3.04 114.38 118.20 1l8c h ARG 68 Ca 0.49 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.55 1l8c h ARG 68 Cb 0.83 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1l8c h ARG 68 CO -0.46 -0.10 -0.26 0.37 -1.07 0.00 0.00 179.97 178.44 1l8c h GLN 69 N -0.16 -0.57 -0.74 0.04 -0.00 -1.20 -0.78 115.11 111.70 1l8c h GLN 69 Ca -0.01 0.04 0.12 0.00 -0.00 0.00 0.00 58.65 58.80 1l8c h GLN 69 Cb 0.13 0.13 -0.08 0.00 0.00 0.00 0.00 27.48 27.66 1l8c h GLN 69 CO 0.01 -0.38 0.33 -0.84 0.00 0.00 0.00 178.83 177.95 1l8c h ILE 70 N -0.60 0.74 -0.29 2.39 3.07 -1.31 -0.78 117.51 120.73 1l8c h ILE 70 Ca -0.02 -0.18 -0.17 0.00 1.55 0.00 0.00 64.86 66.05 1l8c h ILE 70 Cb 0.53 0.18 -0.00 0.00 -0.27 0.00 0.00 36.82 37.25 1l8c h ILE 70 CO -0.02 0.09 -0.48 0.40 -1.05 0.00 0.00 178.15 177.09 1l8c h ILE 71 N 0.51 1.29 -0.57 0.16 1.08 -1.46 -2.24 117.51 116.28 1l8c h ILE 71 Ca 0.39 -1.68 0.10 0.00 -0.39 0.00 0.00 64.86 63.29 1l8c h ILE 71 Cb 0.52 1.57 -0.08 0.00 -3.07 0.00 0.00 36.82 35.76 1l8c h ILE 71 CO -0.34 0.54 0.12 0.28 -0.69 0.00 0.00 178.15 178.06 1l8c h SER 72 N 0.63 0.01 0.38 1.72 0.02 -0.24 -0.16 113.55 115.90 1l8c h SER 72 Ca 0.03 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1l8c h SER 72 Cb 1.06 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1l8c h SER 72 CO 0.11 0.02 -0.18 -0.74 -1.14 0.00 0.00 176.83 174.89 1l8c h HIS 73 N 0.26 -0.47 -0.80 3.45 -0.00 -1.07 -2.88 115.15 113.64 1l8c h HIS 73 Ca 0.30 -0.01 0.16 0.00 -0.00 0.00 0.00 60.37 60.81 1l8c h HIS 73 Cb 0.42 0.15 -0.10 0.00 -0.00 0.00 0.00 27.41 27.89 1l8c h HIS 73 CO -0.24 -0.29 0.34 2.35 -0.00 0.00 0.00 177.93 180.09 1l8c h TRP 74 N -0.51 0.57 -0.07 5.26 7.01 -1.21 0.11 115.95 127.12 1l8c h TRP 74 Ca -0.05 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.02 1l8c h TRP 74 Cb 0.39 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.28 1l8c h TRP 74 CO 0.14 0.05 -0.16 -0.22 -2.79 0.00 0.00 178.44 175.46 1l8c h LYS 75 N 0.46 -0.23 0.10 2.65 1.63 -1.10 -3.21 116.57 116.87 1l8c h LYS 75 Ca 0.45 0.02 -0.26 0.00 -0.85 0.00 0.00 60.65 60.01 1l8c h LYS 75 Cb 0.73 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1l8c h LYS 75 CO -0.43 -0.15 -1.19 -0.91 -3.45 0.00 0.00 179.45 173.32 1l8c h ASN 76 N -0.24 0.32 -1.99 4.20 2.35 -1.20 -3.47 115.58 115.56 1l8c h ASN 76 Ca 0.07 -0.34 -0.62 0.00 -0.55 0.00 0.00 56.30 54.87 1l8c h ASN 76 Cb 0.34 -0.10 0.02 0.00 0.05 0.00 0.00 38.32 38.62 1l8c h ASN 76 CO -0.21 1.27 1.13 0.00 -1.65 0.00 0.00 177.43 177.97 1l8c n THR 78 N 5.35 0.79 -1.94 0.00 -2.24 -1.26 -4.97 114.28 110.01 1l8c n THR 78 Ca 0.24 -1.25 -0.37 0.00 -2.27 0.00 0.00 64.05 60.39 1l8c n THR 78 Cb 0.30 0.32 0.04 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 -1.19 3.05 0.16 -0.78 3.52 -1.26 -4.97 118.95 117.49 1l8c s ARG 79 Ca 0.21 1.97 -0.19 0.00 -0.13 0.00 0.00 55.73 57.59 1l8c s ARG 79 Cb 0.21 -2.07 0.07 0.00 -1.56 0.00 0.00 34.95 31.60 1l8c s ARG 79 CO -0.04 -1.18 1.65 0.45 -0.81 0.00 0.00 175.30 175.37 1l8c h HIS 80 N 1.15 -0.39 -2.86 5.12 3.86 -2.04 -3.42 115.15 116.55 1l8c h HIS 80 Ca -0.51 0.04 -0.16 0.00 -1.16 0.00 0.00 60.37 58.59 1l8c h HIS 80 Cb 1.30 0.23 -0.28 0.00 1.06 0.00 0.00 27.41 29.72 1l8c h HIS 80 CO 0.46 -0.24 -0.39 0.16 0.86 0.00 0.00 177.93 178.78 1l8c s ASP 81 N -5.14 -0.37 0.01 2.45 -4.77 -1.26 -4.97 116.67 102.61 1l8c s ASP 81 Ca -0.14 0.69 0.03 0.00 -3.30 0.00 0.00 52.55 49.83 1l8c s ASP 81 Cb 0.14 0.58 -0.01 0.00 -1.09 0.00 0.00 42.92 42.54 1l8c s ASP 81 CO 0.70 -0.17 -0.11 0.00 0.70 0.00 0.00 175.17 176.29 1l8c n PRO 83 N 2.38 0.04 0.02 0.00 -0.04 -1.26 -2.95 135.00 133.19 1l8c n PRO 83 Ca -0.16 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1l8c n PRO 83 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.07 -0.13 0.52 0.31 -1.26 -4.86 118.33 111.62 1l8c n VAL 84 Ca 0.02 0.02 -0.04 0.00 -0.01 0.00 0.00 64.34 64.33 1l8c n VAL 84 Cb 0.04 -0.85 0.04 0.00 -0.91 0.00 0.00 33.84 32.15 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 0.09 -1.06 -0.98 0.00 7.12 -1.88 0.61 115.31 119.20 1l8c h LEU 86 Ca 0.22 0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.34 1l8c h LEU 86 Cb 0.32 0.33 -0.06 0.00 -0.53 0.00 0.00 40.66 40.72 1l8c h LEU 86 CO -0.38 -0.58 0.64 1.55 -0.13 0.00 0.00 178.44 179.54 1l8c h PRO 87 N -0.91 1.18 -0.08 5.25 0.13 -1.77 -1.23 132.00 134.58 1l8c h PRO 87 Ca -0.07 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1l8c h PRO 87 Cb 0.75 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1l8c h PRO 87 CO 0.03 0.78 0.04 -0.07 -0.23 0.00 0.00 178.00 178.55 1l8c h LEU 88 N 1.22 0.05 0.04 1.56 3.38 -1.34 -0.98 115.31 119.24 1l8c h LEU 88 Ca 0.40 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.40 1l8c h LEU 88 Cb 0.04 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1l8c h LEU 88 CO -0.13 0.04 -0.20 0.50 0.09 0.00 0.00 178.44 178.74 1l8c h LYS 89 N 0.08 -0.33 -0.17 1.13 3.11 -0.49 -0.84 116.57 119.06 1l8c h LYS 89 Ca 0.03 0.02 0.05 0.00 -2.81 0.00 0.00 60.65 57.95 1l8c h LYS 89 Cb 0.01 0.08 -0.06 0.00 -1.00 0.00 0.00 32.23 31.25 1l8c h LYS 89 CO -0.03 -0.22 -0.28 -0.97 -2.81 0.00 0.00 179.45 175.14 1l8c h ASN 90 N -0.34 -0.89 -0.59 4.20 -0.73 -1.12 0.13 115.58 116.24 1l8c h ASN 90 Ca 0.05 0.14 0.08 0.00 1.87 0.00 0.00 56.30 58.44 1l8c h ASN 90 Cb 0.40 0.39 -0.07 0.00 0.27 0.00 0.00 38.32 39.32 1l8c h ASN 90 CO -0.16 -0.32 0.24 0.00 -0.37 0.00 0.00 177.43 176.81 1l8c h ALA 91 N 0.57 0.75 -0.10 1.57 0.00 -0.93 -2.56 119.26 118.56 1l8c h ALA 91 Ca 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1l8c h ALA 91 Cb 0.51 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1l8c h ALA 91 CO -0.36 -0.16 -0.00 0.77 0.00 0.00 0.00 179.25 179.50 1l8c h SER 92 N 0.43 0.18 -2.74 0.00 0.02 -0.68 -3.42 113.55 107.34 1l8c h SER 92 Ca 0.29 -0.31 -0.54 0.00 -0.84 0.00 0.00 61.79 60.39 1l8c h SER 92 Cb 0.32 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 62.41 1l8c h SER 92 CO -0.27 0.44 -0.80 -0.62 -1.14 0.00 0.00 176.83 174.45 1l8c s ASP 93 N -5.69 3.40 0.68 3.07 2.15 0.41 -5.10 116.67 115.59 1l8c s ASP 93 Ca -0.14 -1.51 -0.11 0.00 0.43 0.00 0.00 52.55 51.22 1l8c s ASP 93 Cb 0.05 -0.36 -0.00 0.00 -0.30 0.00 0.00 42.92 42.30 1l8c s ASP 93 CO 0.70 -0.41 1.05 -0.54 -0.17 0.00 0.00 175.17 175.81 1l8c s LYS 94 N 1.85 3.11 0.00 4.34 1.02 -0.98 -4.25 119.74 124.84 1l8c s LYS 94 Ca 0.11 0.85 0.00 0.00 0.02 0.00 0.00 55.97 56.96 1l8c s LYS 94 Cb -0.18 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1l8c s LYS 94 CO -0.28 -0.95 0.46 0.54 -0.92 0.00 0.00 175.35 174.21