#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cg8 s LYS 2 N 0.00 0.57 -0.01 1.45 2.47 -1.26 -4.94 119.74 118.02 1cg8 s LYS 2 Ca 0.00 -0.26 -0.07 0.00 -1.56 0.00 0.00 55.97 54.08 1cg8 s LYS 2 Cb 0.00 0.25 -0.05 0.00 -1.46 0.00 0.00 37.83 36.57 1cg8 s LYS 2 CO 0.00 -0.15 0.26 -0.51 0.16 0.00 0.00 175.35 175.12 1cg8 s LEU 3 N -1.29 4.38 1.09 5.43 1.02 -1.26 -5.08 118.68 122.97 1cg8 s LEU 3 Ca -0.13 0.58 -0.16 0.00 0.02 0.00 0.00 54.13 54.43 1cg8 s LEU 3 Cb -0.06 -2.59 0.23 0.00 0.02 0.00 0.00 46.19 43.79 1cg8 s LEU 3 CO 0.03 0.28 1.12 -0.94 0.02 0.00 0.00 176.35 176.86 1cg8 s SER 4 N -1.57 1.90 0.30 2.29 1.04 -1.26 -4.73 113.70 111.67 1cg8 s SER 4 Ca 0.26 0.82 -0.01 0.00 0.48 0.00 0.00 55.95 57.49 1cg8 s SER 4 Cb -0.13 -1.22 0.46 0.00 0.10 0.00 0.00 66.02 65.22 1cg8 s SER 4 CO 0.14 -3.54 1.95 -0.08 0.98 0.00 0.00 173.24 172.69 1cg8 h GLU 5 N -2.18 1.01 -0.42 4.02 4.81 -1.99 -1.59 114.58 118.24 1cg8 h GLU 5 Ca -0.49 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 58.51 1cg8 h GLU 5 Cb 1.31 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1cg8 h GLU 5 CO 0.46 0.71 -0.29 -0.44 -0.73 0.00 0.00 179.01 178.72 1cg8 h ASP 6 N 1.03 0.98 -0.37 1.04 5.19 -2.00 -2.52 116.42 119.78 1cg8 h ASP 6 Ca 0.27 -0.43 -0.15 0.00 -0.62 0.00 0.00 57.03 56.10 1cg8 h ASP 6 Cb -0.05 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.18 1cg8 h ASP 6 CO -0.05 1.20 -0.35 1.56 -3.12 0.00 0.00 179.24 178.48 1cg8 h GLN 7 N 0.77 0.91 -0.58 3.56 4.20 -1.83 -2.26 115.11 119.88 1cg8 h GLN 7 Ca 0.08 -0.46 -0.08 0.00 0.06 0.00 0.00 58.65 58.26 1cg8 h GLN 7 Cb 0.87 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 1cg8 h GLN 7 CO 0.08 1.11 0.04 0.93 -0.67 0.00 0.00 178.83 180.32 1cg8 h GLU 8 N 0.76 0.97 -0.53 1.46 5.08 -1.30 -2.14 114.58 118.87 1cg8 h GLU 8 Ca 0.07 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1cg8 h GLU 8 Cb 0.93 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1cg8 h GLU 8 CO 0.09 0.93 0.20 1.25 -1.00 0.00 0.00 179.01 180.47 1cg8 h HIS 9 N 0.90 0.81 -0.30 4.33 2.76 -1.33 -1.93 115.15 120.40 1cg8 h HIS 9 Ca 0.17 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1cg8 h HIS 9 Cb 0.47 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1cg8 h HIS 9 CO 0.03 0.68 0.13 -0.92 -1.30 0.00 0.00 177.93 176.55 1cg8 h TYR 10 N 0.71 0.44 -0.70 5.26 3.20 -1.24 -0.93 116.97 123.72 1cg8 h TYR 10 Ca 0.17 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1cg8 h TYR 10 Cb 0.22 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1cg8 h TYR 10 CO 0.01 0.41 0.36 0.82 -1.64 0.00 0.00 178.16 178.12 1cg8 h ILE 11 N 0.34 1.22 -0.36 1.81 1.08 -1.25 0.88 117.51 121.23 1cg8 h ILE 11 Ca 0.10 -0.59 -0.11 0.00 -0.39 0.00 0.00 64.86 63.87 1cg8 h ILE 11 Cb 0.15 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 1cg8 h ILE 11 CO -0.01 0.25 -0.23 0.11 -0.69 0.00 0.00 178.15 177.59 1cg8 h LYS 12 N 0.96 0.71 -0.49 2.37 1.57 -1.31 -1.66 116.57 118.73 1cg8 h LYS 12 Ca 0.24 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1cg8 h LYS 12 Cb 0.08 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1cg8 h LYS 12 CO -0.03 0.88 0.18 0.78 -0.57 0.00 0.00 179.45 180.68 1cg8 h GLY 13 N 0.98 0.80 0.98 3.86 0.00 -0.61 -2.06 103.07 107.02 1cg8 h GLY 13 Ca 0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1cg8 h GLY 13 CO 0.06 0.42 0.16 -2.08 0.00 0.00 0.00 176.54 175.10 1cg8 h VAL 14 N 0.65 1.23 0.00 4.60 2.07 -0.69 -2.27 116.25 121.84 1cg8 h VAL 14 Ca 0.16 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1cg8 h VAL 14 Cb 0.23 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1cg8 h VAL 14 CO -0.01 0.28 -0.11 -0.25 0.02 0.00 0.00 177.57 177.50 1cg8 h TRP 15 N 0.69 0.00 0.00 1.57 -0.00 -1.08 0.17 115.95 117.30 1cg8 h TRP 15 Ca 0.16 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.92 1cg8 h TRP 15 Cb 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.41 1cg8 h TRP 15 CO 0.02 0.11 -0.79 0.87 -0.00 0.00 0.00 178.44 178.65 1cg8 h LYS 16 N 0.00 0.00 0.05 2.65 1.57 -1.04 -3.38 116.57 116.43 1cg8 h LYS 16 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1cg8 h LYS 16 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1cg8 h LYS 16 CO 0.01 0.54 -0.82 0.22 -0.57 0.00 0.00 179.45 178.83 1cg8 h ASP 17 N 0.00 0.18 -4.31 0.86 3.58 -0.66 -3.48 116.42 112.59 1cg8 h ASP 17 Ca -0.04 -0.83 -0.51 0.00 0.42 0.00 0.00 57.03 56.07 1cg8 h ASP 17 Cb 1.50 -0.06 0.06 0.00 1.72 0.00 0.00 39.33 42.55 1cg8 h ASP 17 CO 0.07 1.35 0.39 0.68 -2.88 0.00 0.00 179.24 178.86 1cg8 s VAL 18 N -2.36 4.50 -0.63 2.25 -7.23 -0.07 -5.00 120.40 111.86 1cg8 s VAL 18 Ca -0.21 0.75 -0.24 0.00 -1.81 0.00 0.00 61.98 60.47 1cg8 s VAL 18 Cb 0.02 -3.80 0.05 0.00 0.56 0.00 0.00 36.38 33.21 1cg8 s VAL 18 CO 0.71 -1.03 1.02 -0.62 -0.31 0.00 0.00 175.10 174.87 1cg8 s ASP 19 N -4.21 6.25 0.14 4.85 -1.08 -1.26 -4.92 116.67 116.44 1cg8 s ASP 19 Ca 0.55 -0.60 -0.29 0.00 -0.52 0.00 0.00 52.55 51.69 1cg8 s ASP 19 Cb -0.11 -2.46 -0.07 0.00 -1.46 0.00 0.00 42.92 38.82 1cg8 s ASP 19 CO 0.53 -1.43 1.49 0.45 0.52 0.00 0.00 175.17 176.73 1cg8 h HIS 20 N 9.55 -1.70 -0.18 -5.34 3.86 -1.94 -2.05 115.15 117.35 1cg8 h HIS 20 Ca -0.27 0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.03 1cg8 h HIS 20 Cb 1.07 0.85 -0.01 0.00 1.06 0.00 0.00 27.41 30.38 1cg8 h HIS 20 CO 0.98 -0.36 0.06 0.87 0.86 0.00 0.00 177.93 180.33 1cg8 h LYS 21 N -0.08 0.28 -0.69 2.45 1.57 -1.92 -2.35 116.57 115.83 1cg8 h LYS 21 Ca 0.13 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1cg8 h LYS 21 Cb 0.41 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1cg8 h LYS 21 CO -0.79 0.38 0.31 0.37 -0.57 0.00 0.00 179.45 179.16 1cg8 h GLN 22 N 0.12 1.00 -0.28 3.15 5.75 -1.92 0.32 115.11 123.26 1cg8 h GLN 22 Ca 0.06 -0.16 -0.13 0.00 -0.15 0.00 0.00 58.65 58.27 1cg8 h GLN 22 Cb 0.22 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1cg8 h GLN 22 CO -0.00 0.81 -0.37 0.97 -2.65 0.00 0.00 178.83 177.58 1cg8 h ILE 23 N 0.96 1.29 -0.33 2.39 2.10 -1.42 -1.74 117.51 120.76 1cg8 h ILE 23 Ca 0.23 -1.53 -0.08 0.00 1.08 0.00 0.00 64.86 64.57 1cg8 h ILE 23 Cb 0.15 1.47 -0.01 0.00 -1.09 0.00 0.00 36.82 37.34 1cg8 h ILE 23 CO -0.03 0.49 -0.10 0.74 -1.08 0.00 0.00 178.15 178.17 1cg8 h THR 24 N 0.53 1.28 -0.84 2.19 2.02 -1.16 -1.41 112.91 115.52 1cg8 h THR 24 Ca 0.05 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 1cg8 h THR 24 Cb 0.88 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 1cg8 h THR 24 CO 0.08 0.38 0.48 0.00 0.37 0.00 0.00 175.52 176.83 1cg8 h ALA 25 N 0.80 1.08 -0.05 6.16 0.00 -0.81 -0.96 119.26 125.47 1cg8 h ALA 25 Ca 0.08 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1cg8 h ALA 25 Cb 0.61 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1cg8 h ALA 25 CO 0.04 0.57 -0.50 0.87 0.00 0.00 0.00 179.25 180.23 1cg8 h LYS 26 N 1.17 0.13 -0.45 0.00 1.57 -1.22 -1.61 116.57 116.16 1cg8 h LYS 26 Ca 0.30 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1cg8 h LYS 26 Cb -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1cg8 h LYS 26 CO -0.05 0.60 -0.23 0.00 -0.57 0.00 0.00 179.45 179.21 1cg8 h ALA 27 N 1.38 0.76 -0.39 3.86 0.00 -0.49 -1.63 119.26 122.75 1cg8 h ALA 27 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1cg8 h ALA 27 Cb 0.92 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1cg8 h ALA 27 CO 0.07 0.66 -0.17 -0.07 0.00 0.00 0.00 179.25 179.74 1cg8 h LEU 28 N 0.79 0.83 -0.83 0.00 3.38 -1.02 -1.04 115.31 117.42 1cg8 h LEU 28 Ca 0.10 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1cg8 h LEU 28 Cb 0.78 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1cg8 h LEU 28 CO 0.06 1.04 0.52 -0.08 0.09 0.00 0.00 178.44 180.07 1cg8 h GLU 29 N 0.62 1.12 -0.45 1.13 4.81 -1.20 -2.27 114.58 118.34 1cg8 h GLU 29 Ca 0.09 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1cg8 h GLU 29 Cb 0.72 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1cg8 h GLU 29 CO 0.05 0.77 0.03 -0.09 -0.73 0.00 0.00 179.01 179.05 1cg8 h ARG 30 N 1.14 0.77 -0.65 1.92 2.43 -1.06 -2.77 114.38 116.16 1cg8 h ARG 30 Ca 0.30 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1cg8 h ARG 30 Cb -0.07 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 1cg8 h ARG 30 CO -0.06 0.82 0.23 -0.24 -1.51 0.00 0.00 179.97 179.20 1cg8 h VAL 31 N 0.62 1.24 -0.30 0.20 3.04 -1.00 0.29 116.25 120.33 1cg8 h VAL 31 Ca 0.13 -0.78 -0.05 0.00 -1.01 0.00 0.00 66.70 64.99 1cg8 h VAL 31 Cb 0.45 0.50 -0.02 0.00 -2.01 0.00 0.00 31.29 30.21 1cg8 h VAL 31 CO 0.02 0.31 -0.02 -0.26 -1.01 0.00 0.00 177.57 176.61 1cg8 h PHE 32 N 0.95 0.49 0.07 3.17 0.04 -1.30 0.66 116.94 121.02 1cg8 h PHE 32 Ca 0.22 -0.05 -0.22 0.00 2.80 0.00 0.00 57.97 60.71 1cg8 h PHE 32 Cb 0.24 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 1cg8 h PHE 32 CO 0.02 0.50 -1.16 0.28 -0.60 0.00 0.00 178.31 177.34 1cg8 h VAL 33 N 0.45 1.11 -0.45 -0.55 2.07 -1.19 -3.24 116.25 114.46 1cg8 h VAL 33 Ca 0.10 -2.33 -0.14 0.00 0.82 0.00 0.00 66.70 65.14 1cg8 h VAL 33 Cb 0.33 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1cg8 h VAL 33 CO 0.01 0.59 -0.27 0.58 0.02 0.00 0.00 177.57 178.50 1cg8 h VAL 34 N -0.59 1.27 -2.82 2.57 2.07 -0.94 -3.35 116.25 114.47 1cg8 h VAL 34 Ca -0.27 -1.44 -0.61 0.00 0.82 0.00 0.00 66.70 65.20 1cg8 h VAL 34 Cb 1.53 1.22 -0.41 0.00 -1.52 0.00 0.00 31.29 32.11 1cg8 h VAL 34 CO -0.02 0.49 -0.65 -1.22 0.02 0.00 0.00 177.57 176.19 1cg8 n TYR 35 N -4.11 2.65 -0.33 1.57 4.01 0.22 -4.99 117.16 116.18 1cg8 n TYR 35 Ca -0.01 -4.13 0.25 0.00 -0.16 0.00 0.00 57.90 53.85 1cg8 n TYR 35 Cb 0.49 -0.49 0.49 0.00 -0.31 0.00 0.00 39.34 39.51 1cg8 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1cg8 h PRO 36 N 5.19 0.10 0.00 -0.72 0.11 -1.70 -0.90 132.00 134.08 1cg8 h PRO 36 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1cg8 h PRO 36 Cb 0.76 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1cg8 h PRO 36 CO 0.68 0.07 0.00 0.11 -0.21 0.00 0.00 178.00 178.65 1cg8 h TRP 37 N 0.11 0.00 0.00 0.65 0.09 -1.91 -2.58 115.95 112.31 1cg8 h TRP 37 Ca 0.75 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.73 1cg8 h TRP 37 Cb 1.84 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.08 1cg8 h TRP 37 CO -0.11 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.21 1cg8 h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.46 -2.81 112.91 110.11 1cg8 h THR 38 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1cg8 h THR 38 Cb 0.03 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1cg8 h THR 38 CO 0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1cg8 h THR 39 N 0.00 0.00 -0.78 6.82 1.35 -1.68 -3.39 112.91 115.23 1cg8 h THR 39 Ca 0.00 -0.47 0.12 0.00 -0.55 0.00 0.00 66.41 65.50 1cg8 h THR 39 Cb 0.36 1.44 -0.13 0.00 -1.73 0.00 0.00 68.15 68.08 1cg8 h THR 39 CO 0.00 0.00 -0.41 -0.09 -0.25 0.00 0.00 175.52 174.77 1cg8 h ARG 40 N 0.00 -0.10 -0.19 4.72 2.43 -1.71 -1.15 114.38 118.37 1cg8 h ARG 40 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1cg8 h ARG 40 Cb 0.70 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1cg8 h ARG 40 CO 0.00 -0.07 0.00 1.28 -1.51 0.00 0.00 179.97 179.67 1cg8 n LEU 41 N -5.42 1.26 -3.53 3.80 4.77 -1.26 -4.33 117.00 112.29 1cg8 n LEU 41 Ca 0.05 -0.59 -0.40 0.00 -0.03 0.00 0.00 56.01 55.05 1cg8 n LEU 41 Cb 0.36 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1cg8 n LEU 41 CO -0.07 0.29 1.35 0.49 -1.33 0.00 0.00 177.39 178.13 1cg8 n PHE 42 N 0.12 2.88 0.10 -1.77 3.72 -0.44 -4.72 117.46 117.36 1cg8 n PHE 42 Ca 0.11 -2.64 -0.04 0.00 -0.05 0.00 0.00 57.45 54.83 1cg8 n PHE 42 Cb 0.23 -1.14 0.15 0.00 -0.94 0.00 0.00 39.48 37.77 1cg8 n PHE 42 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1cg8 h SER 43 N 4.02 0.21 0.00 4.37 0.02 -1.78 -3.03 113.55 117.37 1cg8 h SER 43 Ca 0.51 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1cg8 h SER 43 Cb 0.31 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1cg8 h SER 43 CO 1.17 0.74 -0.00 0.11 -1.14 0.00 0.00 176.83 177.71 1cg8 h LYS 44 N 0.14 0.00 0.00 3.45 1.79 -1.97 -1.03 116.57 118.94 1cg8 h LYS 44 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1cg8 h LYS 44 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1cg8 h LYS 44 CO 0.09 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.74 1cg8 n LEU 45 N -3.74 0.00 -4.31 2.94 4.77 -1.14 -4.91 117.00 110.59 1cg8 n LEU 45 Ca -0.03 0.13 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 1cg8 n LEU 45 Cb 0.08 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 40.95 1cg8 n LEU 45 CO 0.26 -0.03 -0.39 0.00 -1.33 0.00 0.00 177.39 175.90 1cg8 n GLN 46 N -1.13 -0.89 -0.94 3.23 1.13 -0.39 -0.41 117.38 117.98 1cg8 n GLN 46 Ca 0.15 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 1cg8 n GLN 46 Cb 0.13 -3.74 0.00 0.00 0.11 0.00 0.00 30.24 26.74 1cg8 n GLN 46 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1cg8 n GLY 47 N -2.19 0.46 3.26 1.08 0.00 -1.26 -4.97 105.19 101.56 1cg8 n GLY 47 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1cg8 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cg8 s LEU 48 N 0.00 5.96 -0.09 0.99 1.43 0.45 -4.93 118.68 122.49 1cg8 s LEU 48 Ca 0.00 -1.90 0.15 0.00 -1.03 0.00 0.00 54.13 51.34 1cg8 s LEU 48 Cb 0.00 -2.11 0.48 0.00 0.03 0.00 0.00 46.19 44.59 1cg8 s LEU 48 CO 0.00 -0.76 1.40 0.49 0.23 0.00 0.00 176.35 177.71 1cg8 n PHE 49 N 5.01 0.87 -2.84 0.29 3.72 -1.26 -4.59 117.46 118.66 1cg8 n PHE 49 Ca -0.10 -0.65 -0.30 0.00 -0.05 0.00 0.00 57.45 56.36 1cg8 n PHE 49 Cb 0.41 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.75 1cg8 n PHE 49 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1cg8 s SER 50 N -1.29 6.46 0.51 4.37 0.15 -1.26 -4.44 113.70 118.20 1cg8 s SER 50 Ca 0.36 1.06 0.16 0.00 0.70 0.00 0.00 55.95 58.24 1cg8 s SER 50 Cb 0.24 -2.30 1.24 0.00 -1.71 0.00 0.00 66.02 63.50 1cg8 s SER 50 CO 0.16 -0.43 2.11 0.00 1.20 0.00 0.00 173.24 176.28 1cg8 h ALA 51 N 1.06 2.04 -0.18 5.45 0.00 -1.95 -1.98 119.26 123.71 1cg8 h ALA 51 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1cg8 h ALA 51 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1cg8 h ALA 51 CO 0.63 -0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.90 1cg8 n ASN 52 N -4.51 1.67 -4.78 0.00 3.02 -1.26 -4.43 115.26 104.98 1cg8 n ASN 52 Ca -0.00 -1.73 -0.39 0.00 -0.03 0.00 0.00 54.58 52.43 1cg8 n ASN 52 Cb 0.17 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.16 1cg8 n ASN 52 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1cg8 s ASP 53 N -1.51 7.39 0.27 6.41 1.01 -0.74 -4.97 116.67 124.52 1cg8 s ASP 53 Ca 0.31 1.67 -0.02 0.00 0.71 0.00 0.00 52.55 55.22 1cg8 s ASP 53 Cb 0.17 -2.51 0.44 0.00 1.01 0.00 0.00 42.92 42.04 1cg8 s ASP 53 CO 0.25 0.18 1.85 0.40 0.21 0.00 0.00 175.17 178.07 1cg8 h ILE 54 N 3.24 1.00 0.14 0.77 1.08 -1.90 -1.01 117.51 120.84 1cg8 h ILE 54 Ca -0.47 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 63.64 1cg8 h ILE 54 Cb 1.20 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1cg8 h ILE 54 CO 0.66 0.19 -0.07 1.23 -0.69 0.00 0.00 178.15 179.47 1cg8 h GLY 55 N 1.04 -0.20 0.94 5.37 0.00 -1.93 -1.16 103.07 107.13 1cg8 h GLY 55 Ca 0.44 0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.87 1cg8 h GLY 55 CO -0.21 -0.07 0.56 -2.08 0.00 0.00 0.00 176.54 174.74 1cg8 h VAL 56 N -0.25 1.18 -0.63 4.60 2.07 -1.73 -1.71 116.25 119.78 1cg8 h VAL 56 Ca -0.02 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1cg8 h VAL 56 Cb 0.20 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 1cg8 h VAL 56 CO 0.03 0.20 0.42 1.56 0.02 0.00 0.00 177.57 179.80 1cg8 h GLN 57 N 1.12 0.82 -0.49 1.57 1.08 -0.99 0.28 115.11 118.50 1cg8 h GLN 57 Ca 0.33 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.38 1cg8 h GLN 57 Cb -0.06 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.16 1cg8 h GLN 57 CO -0.09 0.54 -0.11 1.96 -0.95 0.00 0.00 178.83 180.18 1cg8 h GLN 58 N 0.85 0.91 -0.32 1.46 4.20 -0.71 -2.03 115.11 119.45 1cg8 h GLN 58 Ca 0.24 -0.32 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 1cg8 h GLN 58 Cb -0.08 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1cg8 h GLN 58 CO -0.06 0.96 -0.38 1.25 -0.67 0.00 0.00 178.83 179.94 1cg8 h HIS 59 N 0.81 1.00 -0.48 2.96 2.76 -0.98 -3.02 115.15 118.20 1cg8 h HIS 59 Ca 0.13 -0.31 0.03 0.00 -2.20 0.00 0.00 60.37 58.01 1cg8 h HIS 59 Cb 0.63 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.36 1cg8 h HIS 59 CO 0.04 1.11 0.32 0.00 -1.30 0.00 0.00 177.93 178.10 1cg8 h ALA 60 N 0.72 1.76 -0.29 5.26 0.00 -0.23 -0.52 119.26 125.96 1cg8 h ALA 60 Ca 0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1cg8 h ALA 60 Cb 0.97 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1cg8 h ALA 60 CO 0.09 0.20 -0.20 0.22 0.00 0.00 0.00 179.25 179.56 1cg8 h ASP 61 N 0.56 0.54 -0.12 0.00 3.58 -1.25 -0.84 116.42 118.88 1cg8 h ASP 61 Ca 0.19 -0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 1cg8 h ASP 61 Cb 0.07 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 1cg8 h ASP 61 CO -0.05 0.75 -0.13 0.11 -2.88 0.00 0.00 179.24 177.04 1cg8 h LYS 62 N 0.48 0.31 -0.41 0.28 1.57 -1.05 -2.88 116.57 114.87 1cg8 h LYS 62 Ca 0.08 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1cg8 h LYS 62 Cb 0.62 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1cg8 h LYS 62 CO 0.04 0.72 0.17 0.28 -0.57 0.00 0.00 179.45 180.09 1cg8 h VAL 63 N -0.09 1.19 -0.21 0.50 2.07 -1.18 -2.63 116.25 115.90 1cg8 h VAL 63 Ca 0.02 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1cg8 h VAL 63 Cb 0.67 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1cg8 h VAL 63 CO 0.03 0.21 -0.11 0.06 0.02 0.00 0.00 177.57 177.79 1cg8 h GLN 64 N 0.52 0.34 -0.40 1.57 -0.00 -1.23 -1.91 115.11 114.00 1cg8 h GLN 64 Ca 0.14 -0.08 -0.12 0.00 -0.00 0.00 0.00 58.65 58.59 1cg8 h GLN 64 Cb 0.18 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.60 1cg8 h GLN 64 CO -0.01 0.46 -0.23 -0.09 -0.00 0.00 0.00 178.83 178.96 1cg8 h ARG 65 N 0.32 0.80 -0.29 0.06 2.43 -1.34 -0.97 114.38 115.39 1cg8 h ARG 65 Ca 0.07 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 1cg8 h ARG 65 Cb 0.40 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1cg8 h ARG 65 CO 0.02 0.95 -0.04 0.00 -1.51 0.00 0.00 179.97 179.40 1cg8 h ALA 66 N 1.04 0.40 -0.97 2.80 0.00 -1.09 -1.90 119.26 119.56 1cg8 h ALA 66 Ca 0.09 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1cg8 h ALA 66 Cb 0.75 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1cg8 h ALA 66 CO 0.06 0.19 0.64 -0.07 0.00 0.00 0.00 179.25 180.07 1cg8 h LEU 67 N 0.32 1.11 -0.96 0.00 3.38 -1.16 -1.35 115.31 116.65 1cg8 h LEU 67 Ca 0.08 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1cg8 h LEU 67 Cb 0.50 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1cg8 h LEU 67 CO 0.02 0.81 0.14 1.23 0.09 0.00 0.00 178.44 180.73 1cg8 h GLY 68 N 1.31 0.97 1.93 0.83 0.00 -0.99 -0.69 103.07 106.43 1cg8 h GLY 68 Ca 0.35 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1cg8 h GLY 68 CO -0.08 0.53 -0.27 0.83 0.00 0.00 0.00 176.54 177.55 1cg8 h GLU 69 N 0.86 0.09 -0.07 4.80 5.08 -0.44 -1.35 114.58 123.55 1cg8 h GLU 69 Ca 0.19 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1cg8 h GLU 69 Cb 0.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1cg8 h GLU 69 CO -0.00 0.36 -0.22 0.00 -1.00 0.00 0.00 179.01 178.14 1cg8 h ALA 70 N 1.65 0.12 -0.35 3.43 0.00 -0.55 -3.13 119.26 120.43 1cg8 h ALA 70 Ca 0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1cg8 h ALA 70 Cb 0.53 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1cg8 h ALA 70 CO 0.04 0.10 0.18 0.82 0.00 0.00 0.00 179.25 180.39 1cg8 h ILE 71 N -0.23 1.12 -0.04 0.00 2.04 -0.90 -2.12 117.51 117.37 1cg8 h ILE 71 Ca -0.01 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 1cg8 h ILE 71 Cb 0.85 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1cg8 h ILE 71 CO 0.05 0.13 -0.36 0.44 0.00 0.00 0.00 178.15 178.41 1cg8 h ASP 72 N 0.48 0.09 -1.66 1.72 5.19 -1.23 -3.36 116.42 117.64 1cg8 h ASP 72 Ca 0.13 -0.03 -0.48 0.00 -0.62 0.00 0.00 57.03 56.02 1cg8 h ASP 72 Cb 0.03 -0.02 -0.33 0.00 0.18 0.00 0.00 39.33 39.19 1cg8 h ASP 72 CO -0.02 0.45 -0.93 -0.67 -3.12 0.00 0.00 179.24 174.94 1cg8 n ASP 73 N -4.09 -0.75 0.19 6.45 -0.08 -0.94 -4.98 116.55 112.35 1cg8 n ASP 73 Ca -0.02 -2.74 0.12 0.00 -1.51 0.00 0.00 54.79 50.64 1cg8 n ASP 73 Cb 0.41 -0.03 0.65 0.00 2.34 0.00 0.00 41.12 44.49 1cg8 n ASP 73 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1cg8 h LEU 74 N 4.42 0.00 0.00 -2.67 3.38 -1.56 -1.62 115.31 117.25 1cg8 h LEU 74 Ca 0.07 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1cg8 h LEU 74 Cb 0.93 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1cg8 h LEU 74 CO 0.39 0.00 -1.17 0.11 0.09 0.00 0.00 178.44 177.86 1cg8 h LYS 75 N 0.00 0.00 -0.34 1.13 1.57 -1.94 -3.35 116.57 113.64 1cg8 h LYS 75 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cg8 h LYS 75 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1cg8 h LYS 75 CO 0.00 0.58 0.00 1.17 -0.57 0.00 0.00 179.45 180.63 1cg8 n LYS 76 N -3.13 3.40 0.10 3.15 4.81 -0.62 -4.73 118.16 121.14 1cg8 n LYS 76 Ca -0.06 -2.93 -0.13 0.00 -0.87 0.00 0.00 58.31 54.32 1cg8 n LYS 76 Cb 0.90 -1.95 -0.06 0.00 0.02 0.00 0.00 35.03 33.93 1cg8 n LYS 76 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1cg8 h VAL 77 N 2.33 0.77 -0.84 3.15 2.07 -1.68 0.22 116.25 122.27 1cg8 h VAL 77 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1cg8 h VAL 77 Cb 1.58 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 32.04 1cg8 h VAL 77 CO 0.29 0.00 0.47 -0.08 0.02 0.00 0.00 177.57 178.27 1cg8 h GLU 78 N -0.23 0.72 -0.20 1.57 4.81 -1.90 0.19 114.58 119.55 1cg8 h GLU 78 Ca 0.00 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 1cg8 h GLU 78 Cb 0.22 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1cg8 h GLU 78 CO -0.03 0.47 -0.42 0.82 -0.73 0.00 0.00 179.01 179.13 1cg8 h ILE 79 N 0.74 1.33 0.00 2.32 2.04 -1.84 -3.05 117.51 119.04 1cg8 h ILE 79 Ca 0.42 -1.65 -0.08 0.00 1.00 0.00 0.00 64.86 64.56 1cg8 h ILE 79 Cb 0.47 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1cg8 h ILE 79 CO -0.29 0.51 -0.37 0.78 0.00 0.00 0.00 178.15 178.79 1cg8 h ASN 80 N 0.31 0.00 -0.32 1.72 -0.26 -0.22 -2.95 115.58 113.86 1cg8 h ASN 80 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1cg8 h ASN 80 Cb 1.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.28 1cg8 h ASN 80 CO 0.09 0.37 0.00 0.49 -1.06 0.00 0.00 177.43 177.32 1cg8 n PHE 81 N -4.07 0.42 0.06 1.19 3.01 0.61 -4.47 117.46 114.20 1cg8 n PHE 81 Ca -0.02 -0.21 -0.12 0.00 1.01 0.00 0.00 57.45 58.11 1cg8 n PHE 81 Cb 0.41 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.82 1cg8 n PHE 81 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1cg8 h GLN 82 N 2.58 -0.46 0.20 -1.08 4.20 -1.41 0.21 115.11 119.35 1cg8 h GLN 82 Ca 0.00 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1cg8 h GLN 82 Cb 0.58 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1cg8 h GLN 82 CO 0.00 -0.31 -0.16 -0.91 -0.67 0.00 0.00 178.83 176.79 1cg8 h ASN 83 N -0.48 -0.40 -0.50 1.46 4.21 -1.84 -1.91 115.58 116.12 1cg8 h ASN 83 Ca 0.06 0.03 0.04 0.00 1.21 0.00 0.00 56.30 57.65 1cg8 h ASN 83 Cb 0.57 0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.88 1cg8 h ASN 83 CO -0.28 -0.24 0.33 0.25 -1.29 0.00 0.00 177.43 176.20 1cg8 h LEU 84 N -0.36 0.46 0.02 1.61 5.85 -1.80 0.22 115.31 121.30 1cg8 h LEU 84 Ca -0.01 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1cg8 h LEU 84 Cb 0.33 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1cg8 h LEU 84 CO -0.01 0.31 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.11 1cg8 h SER 85 N 0.53 -0.02 -0.77 1.25 0.87 -0.21 -1.81 113.55 113.40 1cg8 h SER 85 Ca 0.21 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1cg8 h SER 85 Cb 0.16 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1cg8 h SER 85 CO -0.05 0.21 0.39 1.23 -0.53 0.00 0.00 176.83 178.08 1cg8 h GLY 86 N -0.24 1.18 0.83 5.77 0.00 -0.55 -2.34 103.07 107.72 1cg8 h GLY 86 Ca -0.00 -0.56 0.04 0.00 0.00 0.00 0.00 47.33 46.81 1cg8 h GLY 86 CO 0.00 0.53 0.54 1.70 0.00 0.00 0.00 176.54 179.32 1cg8 h LYS 87 N 1.10 1.00 -0.16 4.80 3.11 -0.41 -1.30 116.57 124.72 1cg8 h LYS 87 Ca 0.27 -0.06 -0.15 0.00 -2.81 0.00 0.00 60.65 57.90 1cg8 h LYS 87 Cb 0.08 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.07 1cg8 h LYS 87 CO -0.04 0.66 -0.53 0.45 -2.81 0.00 0.00 179.45 177.19 1cg8 h HIS 88 N 1.03 0.56 -0.40 1.91 3.86 -0.81 -2.66 115.15 118.64 1cg8 h HIS 88 Ca 0.35 -0.19 -0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1cg8 h HIS 88 Cb 0.06 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1cg8 h HIS 88 CO -0.02 0.88 -0.03 0.37 0.86 0.00 0.00 177.93 179.98 1cg8 h GLN 89 N 0.35 0.73 -0.42 2.45 4.15 -0.97 -2.06 115.11 119.34 1cg8 h GLN 89 Ca 0.01 -0.25 0.07 0.00 0.77 0.00 0.00 58.65 59.25 1cg8 h GLN 89 Cb 1.04 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.62 1cg8 h GLN 89 CO 0.09 0.84 0.06 1.49 -1.93 0.00 0.00 178.83 179.38 1cg8 h GLU 90 N 0.56 0.18 0.00 1.69 4.81 -1.19 -0.10 114.58 120.52 1cg8 h GLU 90 Ca 0.11 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1cg8 h GLU 90 Cb 0.53 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1cg8 h GLU 90 CO 0.03 0.12 -0.12 0.82 -0.73 0.00 0.00 179.01 179.12 1cg8 h ILE 91 N 0.18 0.99 0.00 2.32 2.04 -1.35 -3.47 117.51 118.22 1cg8 h ILE 91 Ca 0.21 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1cg8 h ILE 91 Cb 0.27 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1cg8 h ILE 91 CO -0.29 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.58 1cg8 n GLY 92 N -1.13 1.27 3.73 5.37 0.00 -0.05 -5.01 105.19 109.38 1cg8 n GLY 92 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1cg8 n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cg8 s VAL 93 N -2.00 4.88 0.15 1.61 0.11 -0.86 -5.03 120.40 119.26 1cg8 s VAL 93 Ca 0.00 1.52 -0.31 0.00 -2.93 0.00 0.00 61.98 60.27 1cg8 s VAL 93 Cb 0.00 -4.07 -0.08 0.00 -1.53 0.00 0.00 36.38 30.70 1cg8 s VAL 93 CO 0.00 0.32 1.38 -0.62 -3.33 0.00 0.00 175.10 172.85 1cg8 s ASP 94 N 0.30 6.82 0.49 3.54 2.15 -1.26 -4.66 116.67 124.05 1cg8 s ASP 94 Ca 0.38 2.39 0.25 0.00 0.43 0.00 0.00 52.55 56.00 1cg8 s ASP 94 Cb -0.19 -2.60 1.32 0.00 -0.30 0.00 0.00 42.92 41.16 1cg8 s ASP 94 CO 0.20 -0.63 1.90 0.71 -0.17 0.00 0.00 175.17 177.18 1cg8 h THR 95 N 4.05 0.63 0.00 1.71 1.35 -1.97 -0.62 112.91 118.07 1cg8 h THR 95 Ca -0.43 -0.05 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1cg8 h THR 95 Cb 1.21 0.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1cg8 h THR 95 CO 0.84 0.03 -0.02 -0.61 -0.25 0.00 0.00 175.52 175.51 1cg8 h GLN 96 N 0.14 0.00 -0.29 4.72 4.15 -1.99 -2.79 115.11 119.05 1cg8 h GLN 96 Ca 0.41 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.80 1cg8 h GLN 96 Cb 1.38 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.05 1cg8 h GLN 96 CO -0.06 0.02 0.09 -0.91 -1.93 0.00 0.00 178.83 176.03 1cg8 h ASN 97 N 0.00 0.37 -0.83 -0.69 -0.26 -1.49 -2.47 115.58 110.22 1cg8 h ASN 97 Ca -0.00 -0.04 0.04 0.00 -0.56 0.00 0.00 56.30 55.74 1cg8 h ASN 97 Cb 0.30 -0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 37.42 1cg8 h ASN 97 CO 0.00 0.37 0.54 -0.26 -1.06 0.00 0.00 177.43 177.03 1cg8 h PHE 98 N 0.41 0.98 -0.25 1.19 0.04 -1.67 -1.05 116.94 116.59 1cg8 h PHE 98 Ca 0.10 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.78 1cg8 h PHE 98 Cb 0.14 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 1cg8 h PHE 98 CO 0.00 0.56 -0.34 0.87 -0.60 0.00 0.00 178.31 178.80 1cg8 h LYS 99 N 1.01 0.53 -0.64 1.51 6.56 -1.63 -2.59 116.57 121.33 1cg8 h LYS 99 Ca 0.33 -0.24 -0.08 0.00 -1.06 0.00 0.00 60.65 59.59 1cg8 h LYS 99 Cb 0.06 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.69 1cg8 h LYS 99 CO -0.10 0.81 0.07 -0.07 -2.06 0.00 0.00 179.45 178.10 1cg8 h LEU 100 N 0.45 1.04 -0.69 2.94 3.38 -1.10 -1.35 115.31 119.97 1cg8 h LEU 100 Ca 0.05 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1cg8 h LEU 100 Cb 0.82 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1cg8 h LEU 100 CO 0.07 1.05 -0.30 0.25 0.09 0.00 0.00 178.44 179.60 1cg8 h LEU 101 N 0.99 0.69 -1.21 1.67 5.85 -1.33 -2.07 115.31 119.90 1cg8 h LEU 101 Ca 0.19 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1cg8 h LEU 101 Cb 0.48 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1cg8 h LEU 101 CO 0.02 0.95 0.48 1.23 -0.34 0.00 0.00 178.44 180.78 1cg8 h GLY 102 N 0.99 1.08 0.80 3.75 0.00 -1.09 -1.41 103.07 107.19 1cg8 h GLY 102 Ca 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1cg8 h GLY 102 CO 0.07 0.41 -0.09 -1.61 0.00 0.00 0.00 176.54 175.32 1cg8 h GLN 103 N 1.03 0.41 0.00 4.80 5.75 -0.79 -2.29 115.11 124.03 1cg8 h GLN 103 Ca 0.27 -0.18 -0.06 0.00 -0.15 0.00 0.00 58.65 58.54 1cg8 h GLN 103 Cb -0.08 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 1cg8 h GLN 103 CO -0.06 0.70 -0.26 1.79 -2.65 0.00 0.00 178.83 178.35 1cg8 h THR 104 N 0.10 0.84 -0.32 2.39 1.35 -1.15 -2.23 112.91 113.88 1cg8 h THR 104 Ca 0.04 -1.05 -0.17 0.00 -0.55 0.00 0.00 66.41 64.68 1cg8 h THR 104 Cb 0.57 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1cg8 h THR 104 CO 0.03 0.26 -0.45 0.15 -0.25 0.00 0.00 175.52 175.26 1cg8 h PHE 105 N 0.00 1.08 0.00 4.73 3.04 -1.15 -2.17 116.94 122.47 1cg8 h PHE 105 Ca -0.00 -0.35 -0.08 0.00 3.98 0.00 0.00 57.97 61.51 1cg8 h PHE 105 Cb 0.61 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 1cg8 h PHE 105 CO 0.00 1.18 -0.38 0.52 -2.02 0.00 0.00 178.31 177.61 1cg8 h MET 106 N 0.67 0.00 -0.32 1.11 2.86 -1.05 -1.15 114.93 117.05 1cg8 h MET 106 Ca 0.04 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.54 1cg8 h MET 106 Cb 1.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 1cg8 h MET 106 CO 0.11 0.38 -0.33 0.28 1.06 0.00 0.00 176.91 178.40 1cg8 h VAL 107 N 0.00 1.29 -0.23 -2.22 2.07 -1.26 -1.18 116.25 114.73 1cg8 h VAL 107 Ca -0.00 -1.51 -0.08 0.00 0.82 0.00 0.00 66.70 65.93 1cg8 h VAL 107 Cb 0.79 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1cg8 h VAL 107 CO 0.05 0.49 -0.20 -0.33 0.02 0.00 0.00 177.57 177.60 1cg8 h GLU 108 N 0.57 0.40 -0.52 1.57 4.39 -0.99 -0.17 114.58 119.83 1cg8 h GLU 108 Ca 0.05 -0.13 -0.12 0.00 0.34 0.00 0.00 59.36 59.50 1cg8 h GLU 108 Cb 0.92 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1cg8 h GLU 108 CO 0.08 0.59 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.31 1cg8 h LEU 109 N 0.37 1.03 -0.52 1.33 4.07 -1.08 -2.19 115.31 118.32 1cg8 h LEU 109 Ca 0.06 -0.36 -0.07 0.00 0.08 0.00 0.00 57.88 57.59 1cg8 h LEU 109 Cb 0.57 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 1cg8 h LEU 109 CO 0.04 1.16 0.05 0.00 -1.08 0.00 0.00 178.44 178.60 1cg8 h ALA 110 N 0.92 0.69 -0.16 1.53 0.00 -0.66 -0.02 119.26 121.56 1cg8 h ALA 110 Ca 0.13 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1cg8 h ALA 110 Cb 0.72 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1cg8 h ALA 110 CO 0.06 0.46 -0.25 -0.07 0.00 0.00 0.00 179.25 179.45 1cg8 h LEU 111 N 0.76 0.29 0.01 0.00 3.38 -0.98 0.19 115.31 118.97 1cg8 h LEU 111 Ca 0.15 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1cg8 h LEU 111 Cb 0.46 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1cg8 h LEU 111 CO 0.02 0.55 -0.01 -0.74 0.09 0.00 0.00 178.44 178.35 1cg8 h HIS 112 N 0.27 -0.02 0.00 1.13 2.76 -1.13 -3.37 115.15 114.79 1cg8 h HIS 112 Ca 0.04 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1cg8 h HIS 112 Cb 0.59 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.56 1cg8 h HIS 112 CO 0.01 0.77 -0.64 0.66 -1.30 0.00 0.00 177.93 177.43 1cg8 n TYR 113 N -4.70 0.14 0.00 5.26 4.01 -0.04 -5.02 117.16 116.81 1cg8 n TYR 113 Ca -0.09 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1cg8 n TYR 113 Cb 0.39 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1cg8 n TYR 113 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1cg8 n LYS 114 N -1.69 0.00 0.24 -0.72 4.76 0.68 -1.77 118.16 119.67 1cg8 n LYS 114 Ca 0.04 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.64 1cg8 n LYS 114 Cb 0.37 0.00 0.82 0.00 -1.84 0.00 0.00 35.03 34.38 1cg8 n LYS 114 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1cg8 h LYS 115 N 0.00 0.00 -0.00 1.97 6.56 -1.95 0.08 116.57 123.22 1cg8 h LYS 115 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1cg8 h LYS 115 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1cg8 h LYS 115 CO 0.00 0.00 -0.12 0.25 -2.06 0.00 0.00 179.45 177.52 1cg8 n THR 116 N -2.60 0.00 -2.62 -0.16 -2.24 -0.73 -4.25 114.28 101.69 1cg8 n THR 116 Ca -0.02 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 1cg8 n THR 116 Cb 0.11 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1cg8 n THR 116 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1cg8 n PHE 117 N -1.10 3.43 -2.21 4.78 7.35 0.01 -4.87 117.46 124.85 1cg8 n PHE 117 Ca 0.13 -2.95 -0.26 0.00 -0.76 0.00 0.00 57.45 53.61 1cg8 n PHE 117 Cb 0.29 -1.89 0.07 0.00 0.35 0.00 0.00 39.48 38.30 1cg8 n PHE 117 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1cg8 s ARG 118 N 0.12 2.12 0.32 -4.13 0.52 -1.26 -4.73 118.95 111.91 1cg8 s ARG 118 Ca 0.39 -0.31 0.10 0.00 -0.52 0.00 0.00 55.73 55.39 1cg8 s ARG 118 Cb 0.05 -2.17 0.96 0.00 0.52 0.00 0.00 34.95 34.31 1cg8 s ARG 118 CO 0.01 -1.28 1.63 -1.35 0.02 0.00 0.00 175.30 174.33 1cg8 h PRO 119 N -0.62 0.19 -0.67 3.54 0.11 -1.96 0.80 132.00 133.38 1cg8 h PRO 119 Ca -0.44 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1cg8 h PRO 119 Cb 1.31 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1cg8 h PRO 119 CO 0.58 0.13 0.25 0.87 -0.21 0.00 0.00 178.00 179.62 1cg8 h LYS 120 N 0.19 1.02 -0.20 1.05 1.79 -1.97 0.66 116.57 119.10 1cg8 h LYS 120 Ca 0.67 -0.20 -0.08 0.00 -2.18 0.00 0.00 60.65 58.87 1cg8 h LYS 120 Cb 1.52 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1cg8 h LYS 120 CO -0.69 0.86 -0.18 0.93 -1.08 0.00 0.00 179.45 179.29 1cg8 h GLU 121 N 0.96 0.48 -0.73 3.15 3.07 -1.27 -2.51 114.58 117.73 1cg8 h GLU 121 Ca 0.22 -0.25 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1cg8 h GLU 121 Cb 0.24 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.11 1cg8 h GLU 121 CO -0.01 0.82 0.46 1.25 -1.40 0.00 0.00 179.01 180.13 1cg8 h HIS 122 N 0.16 0.87 -0.36 4.33 2.76 -0.91 -1.29 115.15 120.72 1cg8 h HIS 122 Ca 0.03 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.16 1cg8 h HIS 122 Cb 0.72 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 1cg8 h HIS 122 CO 0.08 0.51 -0.08 0.00 -1.30 0.00 0.00 177.93 177.14 1cg8 h ALA 123 N 1.30 1.21 -0.39 5.26 0.00 -0.83 -0.07 119.26 125.73 1cg8 h ALA 123 Ca 0.29 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1cg8 h ALA 123 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1cg8 h ALA 123 CO -0.10 0.52 -0.11 0.00 0.00 0.00 0.00 179.25 179.55 1cg8 h ALA 124 N 1.37 0.54 -0.19 0.00 0.00 -0.90 -1.79 119.26 118.30 1cg8 h ALA 124 Ca 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1cg8 h ALA 124 Cb 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1cg8 h ALA 124 CO 0.02 0.43 0.03 0.00 0.00 0.00 0.00 179.25 179.74 1cg8 h ALA 125 N 0.83 0.25 -0.75 0.00 0.00 -0.99 -2.00 119.26 116.61 1cg8 h ALA 125 Ca 0.10 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1cg8 h ALA 125 Cb 0.64 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1cg8 h ALA 125 CO 0.04 -0.08 0.46 -0.92 0.00 0.00 0.00 179.25 178.75 1cg8 h TYR 126 N 0.11 0.85 -0.45 0.00 3.20 -1.00 -0.76 116.97 118.91 1cg8 h TYR 126 Ca 0.06 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 1cg8 h TYR 126 Cb 0.31 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1cg8 h TYR 126 CO 0.02 0.45 0.07 -0.22 -1.64 0.00 0.00 178.16 176.84 1cg8 h LYS 127 N 0.87 0.70 -0.14 1.82 3.64 -1.22 -0.32 116.57 121.91 1cg8 h LYS 127 Ca 0.32 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1cg8 h LYS 127 Cb 0.10 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1cg8 h LYS 127 CO -0.15 0.67 -0.06 0.35 -2.27 0.00 0.00 179.45 178.00 1cg8 h PHE 128 N 0.67 0.33 0.00 1.91 3.57 -0.53 -2.42 116.94 120.46 1cg8 h PHE 128 Ca 0.15 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1cg8 h PHE 128 Cb 0.32 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1cg8 h PHE 128 CO 0.02 0.61 -0.12 0.74 -2.23 0.00 0.00 178.31 177.32 1cg8 h PHE 129 N -0.05 0.00 -0.02 0.41 0.04 -0.96 -1.86 116.94 114.50 1cg8 h PHE 129 Ca 0.03 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.61 1cg8 h PHE 129 Cb 0.52 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1cg8 h PHE 129 CO 0.06 0.12 -0.83 -0.09 -0.60 0.00 0.00 178.31 176.98 1cg8 h ARG 130 N 0.00 0.24 -0.23 1.51 2.43 -0.95 -0.01 114.38 117.37 1cg8 h ARG 130 Ca -0.00 -0.24 -0.20 0.00 -0.81 0.00 0.00 59.98 58.72 1cg8 h ARG 130 Cb 0.57 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1cg8 h ARG 130 CO 0.02 0.94 -0.64 1.25 -1.51 0.00 0.00 179.97 180.02 1cg8 h LEU 131 N 0.15 0.96 -0.32 3.80 6.46 -0.98 -1.75 115.31 123.62 1cg8 h LEU 131 Ca -0.04 -0.56 -0.07 0.00 -0.12 0.00 0.00 57.88 57.09 1cg8 h LEU 131 Cb 1.43 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 1cg8 h LEU 131 CO 0.13 1.36 -0.08 0.58 -0.62 0.00 0.00 178.44 179.81 1cg8 h VAL 132 N 0.62 1.28 -0.85 1.05 2.07 -1.29 -1.98 116.25 117.14 1cg8 h VAL 132 Ca -0.01 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1cg8 h VAL 132 Cb 1.26 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 1cg8 h VAL 132 CO 0.14 0.37 0.54 0.00 0.02 0.00 0.00 177.57 178.63 1cg8 h ALA 133 N 0.80 1.09 -0.45 1.67 0.00 -0.96 -1.98 119.26 119.43 1cg8 h ALA 133 Ca 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1cg8 h ALA 133 Cb 0.58 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1cg8 h ALA 133 CO 0.03 0.52 0.16 0.93 0.00 0.00 0.00 179.25 180.89 1cg8 h GLU 134 N 1.17 0.68 -0.07 0.00 5.08 -1.20 -2.39 114.58 117.85 1cg8 h GLU 134 Ca 0.31 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1cg8 h GLU 134 Cb -0.09 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1cg8 h GLU 134 CO -0.06 0.64 -0.23 0.00 -1.00 0.00 0.00 179.01 178.36 1cg8 h ALA 135 N 1.01 1.49 0.00 3.43 0.00 -0.98 -0.38 119.26 123.83 1cg8 h ALA 135 Ca 0.15 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1cg8 h ALA 135 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1cg8 h ALA 135 CO -0.01 0.37 -0.42 -0.07 0.00 0.00 0.00 179.25 179.12 1cg8 h LEU 136 N 0.11 0.00 0.00 0.00 3.38 -1.18 -3.31 115.31 114.31 1cg8 h LEU 136 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1cg8 h LEU 136 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1cg8 h LEU 136 CO 0.03 0.32 -1.63 -1.20 0.09 0.00 0.00 178.44 176.05 1cg8 n SER 137 N -3.14 0.35 -0.18 -0.43 7.64 -0.92 -4.50 113.62 112.45 1cg8 n SER 137 Ca 0.02 0.14 -0.03 0.00 1.01 0.00 0.00 58.87 60.01 1cg8 n SER 137 Cb 0.67 1.29 0.07 0.00 -1.01 0.00 0.00 64.21 65.23 1cg8 n SER 137 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1cg8 h SER 138 N 0.00 0.34 -0.22 6.43 4.64 -1.16 -2.57 113.55 121.02 1cg8 h SER 138 Ca -0.03 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1cg8 h SER 138 Cb 1.09 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1cg8 h SER 138 CO 0.00 0.23 0.00 -3.20 -0.87 0.00 0.00 176.83 172.99 1cg8 n ASN 139 N -4.91 2.61 -4.69 4.97 4.05 -1.26 -4.84 115.26 111.20 1cg8 n ASN 139 Ca 0.06 -2.31 -0.42 0.00 0.45 0.00 0.00 54.58 52.36 1cg8 n ASN 139 Cb 0.18 -0.53 -0.03 0.00 1.23 0.00 0.00 39.78 40.63 1cg8 n ASN 139 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 1cg8 s TYR 140 N -1.65 3.12 -2.62 1.20 1.51 -0.97 -4.47 117.35 113.46 1cg8 s TYR 140 Ca 0.20 1.12 0.27 0.00 -1.01 0.00 0.00 57.07 57.65 1cg8 s TYR 140 Cb 0.15 -3.48 0.84 0.00 -0.11 0.00 0.00 41.96 39.36 1cg8 s TYR 140 CO 0.07 -1.60 1.63 -2.39 -1.11 0.00 0.00 175.55 172.14