#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xgj n PRO 5 N 0.00 1.37 -0.02 0.00 -0.02 -1.26 -4.70 135.00 130.37 1xgj n PRO 5 Ca 0.00 0.48 0.05 0.00 -2.02 0.00 0.00 63.50 62.02 1xgj n PRO 5 Cb 0.00 -1.94 0.43 0.00 -0.02 0.00 0.00 33.50 31.98 1xgj n PRO 5 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1xgj h GLN 6 N 1.79 0.52 -0.39 -0.52 4.15 -2.05 -1.03 115.11 117.58 1xgj h GLN 6 Ca -0.42 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 58.98 1xgj h GLN 6 Cb 1.34 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 1xgj h GLN 6 CO 0.59 0.35 0.24 0.37 -1.93 0.00 0.00 178.83 178.44 1xgj h GLN 7 N 0.54 0.48 -0.44 1.69 4.15 -1.99 0.21 115.11 119.75 1xgj h GLN 7 Ca 0.17 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.46 1xgj h GLN 7 Cb 0.03 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1xgj h GLN 7 CO -0.04 0.32 -0.13 0.82 -1.93 0.00 0.00 178.83 177.86 1xgj h ILE 8 N 0.49 1.27 -0.34 2.39 2.04 -1.78 -1.59 117.51 119.99 1xgj h ILE 8 Ca 0.15 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 64.79 1xgj h ILE 8 Cb -0.02 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1xgj h ILE 8 CO -0.05 0.43 0.11 -1.13 0.00 0.00 0.00 178.15 177.51 1xgj h ASN 9 N 0.69 0.11 0.02 1.72 -1.24 -0.70 -1.82 115.58 114.36 1xgj h ASN 9 Ca 0.11 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 1xgj h ASN 9 Cb 0.68 0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.76 1xgj h ASN 9 CO 0.05 0.10 -0.01 0.44 -1.29 0.00 0.00 177.43 176.72 1xgj h ASP 10 N 0.25 -0.02 -0.71 1.15 3.32 -0.43 -1.17 116.42 118.80 1xgj h ASP 10 Ca 0.16 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 1xgj h ASP 10 Cb 0.14 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1xgj h ASP 10 CO -0.17 0.31 0.32 -0.29 -1.72 0.00 0.00 179.24 177.69 1xgj h ILE 11 N -0.36 1.24 0.38 0.35 6.09 -1.26 -0.77 117.51 123.18 1xgj h ILE 11 Ca -0.00 -0.71 -0.02 0.00 -1.37 0.00 0.00 64.86 62.76 1xgj h ILE 11 Cb 0.34 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.02 1xgj h ILE 11 CO 0.00 0.29 -0.18 0.58 -3.07 0.00 0.00 178.15 175.77 1xgj h VAL 12 N 1.00 0.63 -0.69 2.19 2.07 -1.32 -1.85 116.25 118.28 1xgj h VAL 12 Ca 0.24 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.62 1xgj h VAL 12 Cb 0.16 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1xgj h VAL 12 CO -0.03 0.02 0.16 0.45 0.02 0.00 0.00 177.57 178.19 1xgj h HIS 13 N -0.55 1.17 0.00 1.57 3.86 -1.11 -0.14 115.15 119.95 1xgj h HIS 13 Ca -0.05 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 58.98 1xgj h HIS 13 Cb 0.42 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 1xgj h HIS 13 CO -0.04 0.96 -0.16 0.00 0.86 0.00 0.00 177.93 179.54 1xgj h ARG 14 N 1.04 0.00 0.07 2.45 3.08 -1.09 -1.89 114.38 118.05 1xgj h ARG 14 Ca 0.22 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.01 1xgj h ARG 14 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1xgj h ARG 14 CO 0.00 0.16 -1.36 1.15 -1.07 0.00 0.00 179.97 178.85 1xgj h THR 15 N 0.00 0.98 -0.09 2.04 2.02 -1.04 -3.39 112.91 113.43 1xgj h THR 15 Ca -0.00 -2.32 -0.23 0.00 0.77 0.00 0.00 66.41 64.62 1xgj h THR 15 Cb 0.32 2.58 0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1xgj h THR 15 CO 0.02 0.61 -0.86 0.40 0.37 0.00 0.00 175.52 176.06 1xgj h ILE 16 N -0.50 1.29 -0.49 3.11 1.08 -0.98 -3.20 117.51 117.83 1xgj h ILE 16 Ca -0.32 -2.09 0.05 0.00 -0.39 0.00 0.00 64.86 62.11 1xgj h ILE 16 Cb 1.61 2.13 -0.05 0.00 -3.07 0.00 0.00 36.82 37.45 1xgj h ILE 16 CO -0.02 0.65 0.21 0.74 -0.69 0.00 0.00 178.15 179.05 1xgj h THR 17 N 0.46 0.90 -0.21 -0.27 2.02 -1.55 -0.15 112.91 114.12 1xgj h THR 17 Ca -0.08 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 66.86 1xgj h THR 17 Cb 1.50 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1xgj h THR 17 CO 0.17 0.08 -0.29 -0.65 0.37 0.00 0.00 175.52 175.20 1xgj h PRO 18 N 0.42 0.40 -0.01 6.66 0.11 -1.76 -2.64 132.00 135.18 1xgj h PRO 18 Ca 0.22 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1xgj h PRO 18 Cb 0.18 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 1xgj h PRO 18 CO -0.19 0.66 0.00 1.25 -0.21 0.00 0.00 178.00 179.51 1xgj h LEU 19 N 0.35 0.01 -1.21 2.35 5.85 -1.36 0.11 115.31 121.41 1xgj h LEU 19 Ca 0.05 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1xgj h LEU 19 Cb 0.69 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1xgj h LEU 19 CO 0.05 0.09 0.55 0.40 -0.34 0.00 0.00 178.44 179.19 1xgj h ILE 20 N -0.07 1.13 0.02 4.05 2.04 -0.93 0.20 117.51 123.95 1xgj h ILE 20 Ca 0.00 -0.35 -0.25 0.00 1.00 0.00 0.00 64.86 65.26 1xgj h ILE 20 Cb 0.08 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 1xgj h ILE 20 CO -0.00 0.19 -1.33 1.05 0.00 0.00 0.00 178.15 178.06 1xgj h GLU 21 N 1.02 0.04 -0.34 2.37 4.11 -1.20 0.77 114.58 121.36 1xgj h GLU 21 Ca 0.33 -0.08 -0.05 0.00 0.07 0.00 0.00 59.36 59.64 1xgj h GLU 21 Cb 0.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1xgj h GLU 21 CO -0.10 0.85 0.02 1.96 0.07 0.00 0.00 179.01 181.81 1xgj h GLN 22 N 0.01 0.59 -0.00 1.06 4.20 -0.48 -2.89 115.11 117.60 1xgj h GLN 22 Ca -0.14 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1xgj h GLN 22 Cb 1.90 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.62 1xgj h GLN 22 CO 0.12 0.70 -0.17 1.04 -0.67 0.00 0.00 178.83 179.84 1xgj n GLN 23 N -4.54 0.66 -3.62 1.46 1.13 0.03 -4.95 117.38 107.55 1xgj n GLN 23 Ca -0.02 -0.28 -0.20 0.00 -1.94 0.00 0.00 57.00 54.56 1xgj n GLN 23 Cb 0.25 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.16 1xgj n GLN 23 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1xgj n LYS 24 N -0.92 -5.23 -2.71 -1.09 2.85 0.12 -4.94 118.16 106.24 1xgj n LYS 24 Ca 0.13 0.68 -0.42 0.00 -1.05 0.00 0.00 58.31 57.65 1xgj n LYS 24 Cb 0.30 -5.35 -0.03 0.00 -0.65 0.00 0.00 35.03 29.31 1xgj n LYS 24 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1xgj s ILE 25 N -3.58 4.77 0.18 0.58 1.01 -0.35 -4.96 121.20 118.85 1xgj s ILE 25 Ca 0.02 1.99 -0.12 0.00 0.00 0.00 0.00 60.65 62.53 1xgj s ILE 25 Cb -0.00 -4.29 0.08 0.00 0.01 0.00 0.00 42.46 38.26 1xgj s ILE 25 CO 0.79 -0.04 1.77 -0.65 0.00 0.00 0.00 174.94 176.81 1xgj h PRO 26 N 7.22 0.86 -3.02 2.79 0.11 -1.87 -3.46 132.00 134.63 1xgj h PRO 26 Ca -0.28 -0.12 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 1xgj h PRO 26 Cb 1.12 -0.16 -0.20 0.00 0.11 0.00 0.00 31.00 31.88 1xgj h PRO 26 CO 0.89 0.68 -0.25 0.20 -0.21 0.00 0.00 178.00 179.31 1xgj s GLY 27 N -3.01 -0.17 -0.03 -0.55 0.00 -1.17 -0.41 107.32 101.97 1xgj s GLY 27 Ca -0.13 0.33 -0.22 0.00 0.00 0.00 0.00 44.72 44.70 1xgj s GLY 27 CO 0.78 0.11 0.47 -0.29 0.00 0.00 0.00 173.10 174.17 1xgj s MET 28 N -1.51 0.83 -0.01 2.90 1.75 -0.70 -2.46 119.30 120.11 1xgj s MET 28 Ca -0.12 0.02 0.02 0.00 -1.25 0.00 0.00 55.69 54.36 1xgj s MET 28 Cb -0.04 0.38 -0.00 0.00 2.84 0.00 0.00 34.83 38.00 1xgj s MET 28 CO 0.03 -0.24 -0.07 0.00 -0.65 0.00 0.00 175.02 174.10 1xgj s ALA 29 N -1.22 0.57 0.01 4.11 0.00 -0.39 -0.70 121.76 124.12 1xgj s ALA 29 Ca -0.12 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1xgj s ALA 29 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1xgj s ALA 29 CO 0.07 0.13 -0.04 0.08 0.00 0.00 0.00 175.76 176.00 1xgj s VAL 30 N -0.09 0.27 -0.04 0.00 1.01 0.23 -1.21 120.40 120.57 1xgj s VAL 30 Ca 0.02 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1xgj s VAL 30 Cb -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1xgj s VAL 30 CO -0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 175.10 174.93 1xgj s ALA 31 N -0.36 1.23 -0.12 5.51 0.00 -0.62 -0.71 121.76 126.69 1xgj s ALA 31 Ca -0.02 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1xgj s ALA 31 Cb -0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 1xgj s ALA 31 CO -0.00 0.21 -0.19 0.08 0.00 0.00 0.00 175.76 175.86 1xgj s VAL 32 N 0.16 2.51 -0.33 0.00 1.01 -0.37 -1.15 120.40 122.23 1xgj s VAL 32 Ca -0.04 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 1xgj s VAL 32 Cb -0.11 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1xgj s VAL 32 CO 0.02 0.54 0.22 -0.63 0.00 0.00 0.00 175.10 175.24 1xgj s ILE 33 N 0.46 5.14 -0.12 2.22 1.09 -0.01 -0.86 121.20 129.12 1xgj s ILE 33 Ca -0.13 -0.22 0.01 0.00 -1.10 0.00 0.00 60.65 59.21 1xgj s ILE 33 Cb -0.17 -3.61 0.02 0.00 -1.06 0.00 0.00 42.46 37.63 1xgj s ILE 33 CO 0.06 0.03 -0.16 -0.47 -0.10 0.00 0.00 174.94 174.30 1xgj s TYR 34 N 1.70 2.14 -1.51 3.97 5.04 0.18 -1.59 117.35 127.28 1xgj s TYR 34 Ca 0.06 -1.07 -0.14 0.00 -2.44 0.00 0.00 57.07 53.48 1xgj s TYR 34 Cb -0.17 -1.53 0.10 0.00 0.35 0.00 0.00 41.96 40.71 1xgj s TYR 34 CO 0.10 -0.55 0.77 1.04 -1.34 0.00 0.00 175.55 175.57 1xgj n GLN 35 N 4.33 -4.21 -0.59 4.97 6.02 -0.99 -1.02 117.38 125.90 1xgj n GLN 35 Ca -0.19 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1xgj n GLN 35 Cb 0.51 -5.30 0.00 0.00 1.02 0.00 0.00 30.24 26.47 1xgj n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xgj n GLY 36 N -1.44 1.62 3.65 1.08 0.00 -1.00 -5.03 105.19 104.06 1xgj n GLY 36 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1xgj n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xgj s LYS 37 N -0.08 2.80 0.15 1.61 -2.85 -0.19 -5.01 119.74 116.17 1xgj s LYS 37 Ca 0.00 -0.56 -0.12 0.00 -1.00 0.00 0.00 55.97 54.29 1xgj s LYS 37 Cb 0.00 -2.66 -0.07 0.00 -2.06 0.00 0.00 37.83 33.04 1xgj s LYS 37 CO 0.00 0.65 0.51 -1.25 0.10 0.00 0.00 175.35 175.36 1xgj s PRO 38 N -1.24 3.88 -0.06 1.78 0.04 -1.26 -0.64 135.00 137.50 1xgj s PRO 38 Ca 0.16 0.36 0.01 0.00 0.04 0.00 0.00 61.00 61.57 1xgj s PRO 38 Cb -0.11 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.56 1xgj s PRO 38 CO 0.06 0.47 -0.05 0.71 0.04 0.00 0.00 177.00 178.23 1xgj s TYR 39 N -1.52 0.84 0.07 0.56 1.51 -0.04 -4.97 117.35 113.81 1xgj s TYR 39 Ca 0.39 -0.26 0.04 0.00 -1.01 0.00 0.00 57.07 56.22 1xgj s TYR 39 Cb -0.14 -0.76 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 1xgj s TYR 39 CO 0.19 -0.24 0.02 0.71 -1.11 0.00 0.00 175.55 175.12 1xgj s TYR 40 N 1.12 3.06 -0.06 2.71 2.02 -1.26 -1.24 117.35 123.71 1xgj s TYR 40 Ca -0.08 0.02 -0.07 0.00 -0.37 0.00 0.00 57.07 56.57 1xgj s TYR 40 Cb -0.14 -1.58 0.02 0.00 -0.40 0.00 0.00 41.96 39.85 1xgj s TYR 40 CO -0.01 0.49 0.18 -0.06 -1.57 0.00 0.00 175.55 174.58 1xgj s PHE 41 N -1.30 -0.16 0.03 2.71 0.40 0.11 -5.00 117.98 114.78 1xgj s PHE 41 Ca 0.26 0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 56.94 1xgj s PHE 41 Cb -0.12 0.05 -0.02 0.00 0.51 0.00 0.00 43.02 43.44 1xgj s PHE 41 CO 0.18 -0.14 0.02 0.95 0.70 0.00 0.00 175.22 176.93 1xgj s THR 42 N -0.22 0.15 0.01 0.64 -4.23 -1.26 -0.60 115.64 110.12 1xgj s THR 42 Ca -0.03 -1.21 -0.10 0.00 -1.18 0.00 0.00 61.69 59.16 1xgj s THR 42 Cb -0.03 -0.84 0.01 0.00 1.34 0.00 0.00 72.50 72.98 1xgj s THR 42 CO 0.01 -0.67 0.21 0.26 -0.54 0.00 0.00 174.62 173.88 1xgj s TRP 43 N -2.55 -0.03 0.00 3.99 0.51 0.12 -5.00 118.94 115.99 1xgj s TRP 43 Ca -0.06 -0.04 0.00 0.00 -2.12 0.00 0.00 56.10 53.88 1xgj s TRP 43 Cb -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 33.47 32.64 1xgj s TRP 43 CO -0.05 -0.35 0.00 0.41 -0.51 0.00 0.00 176.95 176.45 1xgj n GLY 44 N 1.21 0.90 3.47 0.98 0.00 -1.26 -1.71 105.19 108.78 1xgj n GLY 44 Ca -0.22 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 1xgj n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xgj s TYR 45 N 0.00 2.77 -0.00 1.61 1.51 0.45 -1.24 117.35 122.44 1xgj s TYR 45 Ca 0.00 -0.24 0.09 0.00 -1.01 0.00 0.00 57.07 55.91 1xgj s TYR 45 Cb 0.00 -1.70 -0.23 0.00 -0.11 0.00 0.00 41.96 39.92 1xgj s TYR 45 CO 0.00 0.12 0.82 0.00 -1.11 0.00 0.00 175.55 175.38 1xgj h ALA 46 N 5.66 0.61 -2.27 3.71 0.00 -0.90 -3.10 119.26 122.98 1xgj h ALA 46 Ca -0.42 -1.29 -0.39 0.00 0.00 0.00 0.00 54.91 52.81 1xgj h ALA 46 Cb 1.17 0.32 -0.35 0.00 0.00 0.00 0.00 17.79 18.93 1xgj h ALA 46 CO 0.52 1.45 -0.68 0.34 0.00 0.00 0.00 179.25 180.88 1xgj s ASP 47 N -6.36 2.03 0.15 0.00 3.68 -0.98 -0.47 116.67 114.71 1xgj s ASP 47 Ca -0.04 -1.05 -0.18 0.00 2.13 0.00 0.00 52.55 53.40 1xgj s ASP 47 Cb 0.08 0.30 0.04 0.00 -1.45 0.00 0.00 42.92 41.89 1xgj s ASP 47 CO 0.82 -0.38 1.69 0.40 0.13 0.00 0.00 175.17 177.84 1xgj h ILE 48 N 6.06 0.73 -0.17 4.11 2.04 -1.84 -0.49 117.51 127.94 1xgj h ILE 48 Ca -0.11 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1xgj h ILE 48 Cb 1.05 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1xgj h ILE 48 CO 0.33 0.01 0.11 0.00 0.00 0.00 0.00 178.15 178.60 1xgj h ALA 49 N 1.29 0.22 -0.12 1.87 0.00 -1.97 -2.58 119.26 117.97 1xgj h ALA 49 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xgj h ALA 49 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xgj h ALA 49 CO -0.29 -0.29 0.00 1.63 0.00 0.00 0.00 179.25 180.31 1xgj n LYS 50 N -4.95 1.33 -2.88 0.00 5.02 -1.15 -4.91 118.16 110.61 1xgj n LYS 50 Ca -0.04 -0.51 -0.17 0.00 -2.02 0.00 0.00 58.31 55.57 1xgj n LYS 50 Cb 0.04 -1.19 -0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1xgj n LYS 50 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xgj n LYS 51 N -0.15 -2.94 -2.95 1.97 5.02 -0.27 -4.93 118.16 113.91 1xgj n LYS 51 Ca 0.09 0.54 -0.41 0.00 -2.02 0.00 0.00 58.31 56.51 1xgj n LYS 51 Cb 0.14 -5.20 -0.04 0.00 -0.02 0.00 0.00 35.03 29.91 1xgj n LYS 51 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1xgj s GLN 52 N -5.50 4.35 0.73 1.97 -1.52 -0.75 -4.97 119.66 113.97 1xgj s GLN 52 Ca 0.19 0.96 -0.11 0.00 -1.95 0.00 0.00 55.36 54.45 1xgj s GLN 52 Cb -0.10 -3.53 0.03 0.00 -0.22 0.00 0.00 33.01 29.19 1xgj s GLN 52 CO 0.24 -0.18 1.08 -1.25 -0.25 0.00 0.00 175.29 174.93 1xgj s PRO 53 N 1.62 2.69 0.02 2.91 0.04 -1.26 -0.41 135.00 140.61 1xgj s PRO 53 Ca 0.38 0.65 -0.28 0.00 0.04 0.00 0.00 61.00 61.79 1xgj s PRO 53 Cb -0.17 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1xgj s PRO 53 CO 0.15 -1.20 0.90 0.08 0.04 0.00 0.00 177.00 176.98 1xgj s VAL 54 N -3.21 4.79 0.41 -0.36 1.01 -0.38 -4.20 120.40 118.46 1xgj s VAL 54 Ca 0.59 1.91 0.03 0.00 0.00 0.00 0.00 61.98 64.50 1xgj s VAL 54 Cb -0.13 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1xgj s VAL 54 CO 0.53 0.24 0.09 0.35 0.00 0.00 0.00 175.10 176.32 1xgj n THR 55 N 3.45 0.00 0.66 3.92 -2.24 -1.26 -4.62 114.28 114.19 1xgj n THR 55 Ca 0.03 -2.24 0.09 0.00 -2.27 0.00 0.00 64.05 59.66 1xgj n THR 55 Cb 0.50 0.69 0.42 0.00 -2.10 0.00 0.00 70.33 69.84 1xgj n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xgj n GLN 56 N -0.97 0.01 -0.09 -0.78 6.02 -1.26 -2.39 117.38 117.91 1xgj n GLN 56 Ca -0.10 0.17 0.10 0.00 -0.01 0.00 0.00 57.00 57.16 1xgj n GLN 56 Cb 0.58 -1.51 0.14 0.00 1.02 0.00 0.00 30.24 30.47 1xgj n GLN 56 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1xgj n GLN 57 N -1.52 2.04 -2.23 -1.09 3.00 -1.26 -3.97 117.38 112.35 1xgj n GLN 57 Ca 0.05 -1.91 -0.41 0.00 -0.01 0.00 0.00 57.00 54.72 1xgj n GLN 57 Cb 0.23 -1.41 -0.03 0.00 0.00 0.00 0.00 30.24 29.03 1xgj n GLN 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1xgj s THR 58 N -1.46 3.13 -0.12 5.09 2.01 -1.01 -4.85 115.64 118.43 1xgj s THR 58 Ca 0.28 1.00 -0.13 0.00 0.31 0.00 0.00 61.69 63.16 1xgj s THR 58 Cb 0.18 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1xgj s THR 58 CO 0.26 0.18 0.28 -0.76 -0.69 0.00 0.00 174.62 173.89 1xgj s LEU 59 N -0.72 4.32 0.10 4.42 1.43 0.13 -4.03 118.68 124.33 1xgj s LEU 59 Ca 0.53 0.59 0.10 0.00 -1.03 0.00 0.00 54.13 54.32 1xgj s LEU 59 Cb -0.37 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1xgj s LEU 59 CO 0.42 0.21 -0.25 -0.36 0.23 0.00 0.00 176.35 176.60 1xgj s PHE 60 N -0.16 2.16 -0.01 0.29 0.40 0.02 -1.66 117.98 119.01 1xgj s PHE 60 Ca 0.17 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.81 1xgj s PHE 60 Cb -0.14 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 1xgj s PHE 60 CO 0.06 0.26 1.22 -1.21 0.70 0.00 0.00 175.22 176.24 1xgj s GLU 61 N -1.83 4.37 0.20 0.44 2.02 -1.26 -1.55 118.70 121.09 1xgj s GLU 61 Ca 0.11 1.73 0.25 0.00 0.02 0.00 0.00 54.97 57.09 1xgj s GLU 61 Cb -0.10 -3.49 0.62 0.00 0.10 0.00 0.00 34.13 31.26 1xgj s GLU 61 CO 0.05 -0.40 1.61 -0.07 0.02 0.00 0.00 175.26 176.47 1xgj h LEU 62 N 7.77 0.00 0.00 1.80 3.38 -1.52 -3.43 115.31 123.31 1xgj h LEU 62 Ca -0.37 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1xgj h LEU 62 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1xgj h LEU 62 CO 0.86 0.03 0.00 0.61 0.09 0.00 0.00 178.44 180.03 1xgj n GLY 63 N 1.30 2.95 0.13 0.83 0.00 -1.25 -1.85 105.19 107.30 1xgj n GLY 63 Ca 0.05 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.93 1xgj n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xgj n SER 64 N 1.92 0.48 0.31 1.61 7.64 -1.25 -0.97 113.62 123.37 1xgj n SER 64 Ca 0.00 0.71 0.20 0.00 1.01 0.00 0.00 58.87 60.79 1xgj n SER 64 Cb 0.00 -0.78 1.01 0.00 -1.01 0.00 0.00 64.21 63.44 1xgj n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1xgj h VAL 65 N 0.00 0.05 -0.54 0.44 2.07 -1.46 0.10 116.25 116.92 1xgj h VAL 65 Ca 0.00 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.42 1xgj h VAL 65 Cb 0.05 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1xgj h VAL 65 CO 0.00 0.01 0.37 0.28 0.02 0.00 0.00 177.57 178.25 1xgj h SER 66 N 0.00 0.28 -0.14 0.57 0.02 -1.23 -1.15 113.55 111.89 1xgj h SER 66 Ca -0.00 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1xgj h SER 66 Cb 0.19 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1xgj h SER 66 CO 0.00 0.17 0.14 0.11 -1.14 0.00 0.00 176.83 176.12 1xgj h LYS 67 N 0.31 0.00 -0.30 3.45 1.57 -0.93 -0.42 116.57 120.25 1xgj h LYS 67 Ca 0.25 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1xgj h LYS 67 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1xgj h LYS 67 CO -0.06 0.00 -0.32 1.79 -0.57 0.00 0.00 179.45 180.29 1xgj h THR 68 N 0.00 1.28 -0.39 -0.16 1.35 -1.36 -0.71 112.91 112.93 1xgj h THR 68 Ca 0.07 -1.45 -0.10 0.00 -0.55 0.00 0.00 66.41 64.38 1xgj h THR 68 Cb 0.36 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1xgj h THR 68 CO -0.00 0.47 -0.14 -0.26 -0.25 0.00 0.00 175.52 175.34 1xgj h PHE 69 N 0.55 0.88 -0.81 4.73 0.04 -1.21 -2.06 116.94 119.06 1xgj h PHE 69 Ca 0.06 -0.20 0.01 0.00 2.80 0.00 0.00 57.97 60.64 1xgj h PHE 69 Cb 0.82 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.72 1xgj h PHE 69 CO 0.04 0.93 0.53 1.15 -0.60 0.00 0.00 178.31 180.36 1xgj h THR 70 N 0.58 1.21 -0.52 -1.55 2.02 -1.19 0.44 112.91 113.91 1xgj h THR 70 Ca 0.09 -0.39 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1xgj h THR 70 Cb 0.67 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1xgj h THR 70 CO 0.05 0.21 0.12 1.23 0.37 0.00 0.00 175.52 177.50 1xgj h GLY 71 N 1.10 0.89 1.16 2.16 0.00 -1.02 -0.59 103.07 106.77 1xgj h GLY 71 Ca 0.30 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 1xgj h GLY 71 CO -0.06 0.52 -0.23 -2.08 0.00 0.00 0.00 176.54 174.69 1xgj h VAL 72 N 0.72 1.27 -0.63 4.60 2.07 -1.11 0.13 116.25 123.31 1xgj h VAL 72 Ca 0.16 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 1xgj h VAL 72 Cb 0.34 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1xgj h VAL 72 CO 0.00 0.48 0.24 0.25 0.02 0.00 0.00 177.57 178.56 1xgj h LEU 73 N 0.82 0.88 -0.54 2.57 5.85 -0.73 0.22 115.31 124.38 1xgj h LEU 73 Ca 0.10 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1xgj h LEU 73 Cb 0.80 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1xgj h LEU 73 CO 0.07 0.82 0.19 1.23 -0.34 0.00 0.00 178.44 180.41 1xgj h GLY 74 N 0.89 0.88 0.87 3.75 0.00 -0.97 -1.02 103.07 107.47 1xgj h GLY 74 Ca 0.21 -0.50 0.05 0.00 0.00 0.00 0.00 47.33 47.09 1xgj h GLY 74 CO -0.01 0.47 0.64 -1.33 0.00 0.00 0.00 176.54 176.30 1xgj h GLY 75 N 0.73 1.43 1.04 4.60 0.00 0.03 -1.71 103.07 109.19 1xgj h GLY 75 Ca 0.18 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 1xgj h GLY 75 CO -0.01 0.39 0.06 -1.80 0.00 0.00 0.00 176.54 175.18 1xgj h ASP 76 N 1.20 0.96 -0.49 0.19 3.58 0.15 -1.16 116.42 120.85 1xgj h ASP 76 Ca 0.40 -0.28 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1xgj h ASP 76 Cb 0.06 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.83 1xgj h ASP 76 CO -0.13 1.00 0.21 0.00 -2.88 0.00 0.00 179.24 177.44 1xgj h ALA 77 N 1.00 1.36 -0.26 -0.78 0.00 -0.55 -0.08 119.26 119.95 1xgj h ALA 77 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1xgj h ALA 77 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xgj h ALA 77 CO 0.02 0.48 -0.02 0.82 0.00 0.00 0.00 179.25 180.55 1xgj h ILE 78 N 0.76 1.26 -0.10 0.00 2.04 -1.04 -0.61 117.51 119.83 1xgj h ILE 78 Ca 0.18 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1xgj h ILE 78 Cb 0.16 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1xgj h ILE 78 CO -0.02 0.30 -0.05 0.00 0.00 0.00 0.00 178.15 178.39 1xgj h ALA 79 N 0.80 1.74 0.00 1.87 0.00 -0.61 -0.69 119.26 122.37 1xgj h ALA 79 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xgj h ALA 79 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xgj h ALA 79 CO 0.02 0.20 0.00 0.54 0.00 0.00 0.00 179.25 180.01 1xgj n ARG 80 N -4.40 0.08 -0.84 0.00 1.74 -0.10 -4.89 116.66 108.25 1xgj n ARG 80 Ca -0.01 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1xgj n ARG 80 Cb 0.18 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1xgj n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xgj n GLY 81 N 1.08 0.54 0.11 -0.13 0.00 -0.27 -4.95 105.19 101.57 1xgj n GLY 81 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1xgj n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xgj h GLU 82 N 0.81 0.00 -4.12 1.61 5.08 -1.32 -3.48 114.58 113.16 1xgj h GLU 82 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1xgj h GLU 82 Cb 0.00 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.12 1xgj h GLU 82 CO 0.00 0.45 -0.41 0.96 -1.00 0.00 0.00 179.01 179.01 1xgj s ILE 83 N -2.91 0.03 0.01 3.13 -4.36 -1.21 -4.81 121.20 111.09 1xgj s ILE 83 Ca 0.00 -1.66 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 1xgj s ILE 83 Cb 0.08 -2.17 -0.01 0.00 1.25 0.00 0.00 42.46 41.61 1xgj s ILE 83 CO 0.78 -0.15 -0.07 -0.54 0.24 0.00 0.00 174.94 175.20 1xgj s LYS 84 N -4.05 0.54 0.48 0.37 1.02 -1.26 -4.31 119.74 112.53 1xgj s LYS 84 Ca 0.26 -0.43 0.31 0.00 0.02 0.00 0.00 55.97 56.13 1xgj s LYS 84 Cb 0.04 -0.46 1.15 0.00 -0.52 0.00 0.00 37.83 38.03 1xgj s LYS 84 CO 0.06 0.12 1.89 -0.07 -0.92 0.00 0.00 175.35 176.42 1xgj h LEU 85 N 5.45 0.00 -0.11 3.17 3.38 -1.99 -2.20 115.31 123.01 1xgj h LEU 85 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1xgj h LEU 85 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1xgj h LEU 85 CO 0.47 0.00 -0.07 -1.54 0.09 0.00 0.00 178.44 177.38 1xgj n SER 86 N -2.95 0.25 -4.77 -0.43 3.41 -1.26 -1.47 113.62 106.40 1xgj n SER 86 Ca 0.01 -0.34 -0.38 0.00 -0.26 0.00 0.00 58.87 57.91 1xgj n SER 86 Cb 0.33 -0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 1xgj n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xgj s ASP 87 N -2.56 7.17 0.45 4.04 1.01 -0.83 -4.85 116.67 121.10 1xgj s ASP 87 Ca 0.27 2.03 -0.25 0.00 0.71 0.00 0.00 52.55 55.32 1xgj s ASP 87 Cb 0.20 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.46 1xgj s ASP 87 CO 0.48 -0.20 1.32 -2.84 0.21 0.00 0.00 175.17 174.14 1xgj s PRO 88 N -1.92 3.73 0.35 8.23 0.02 -1.26 -1.56 135.00 142.59 1xgj s PRO 88 Ca 0.50 2.17 0.04 0.00 0.02 0.00 0.00 61.00 63.73 1xgj s PRO 88 Cb -0.24 -2.60 0.68 0.00 0.02 0.00 0.00 34.50 32.36 1xgj s PRO 88 CO 0.31 -0.70 1.97 1.15 -0.33 0.00 0.00 177.00 179.40 1xgj h THR 89 N 2.17 1.08 0.00 0.99 2.02 -1.55 -1.62 112.91 116.00 1xgj h THR 89 Ca -0.50 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 1xgj h THR 89 Cb 1.26 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1xgj h THR 89 CO 0.61 0.15 -0.00 0.71 0.37 0.00 0.00 175.52 177.36 1xgj h THR 90 N 0.82 0.00 -0.30 3.16 1.35 -1.83 -1.77 112.91 114.35 1xgj h THR 90 Ca 0.29 -0.15 -0.04 0.00 -0.55 0.00 0.00 66.41 65.96 1xgj h THR 90 Cb 0.13 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 1xgj h THR 90 CO -0.09 0.00 0.00 0.50 -0.25 0.00 0.00 175.52 175.68 1xgj h LYS 91 N 0.00 0.45 -0.02 4.72 3.64 -1.66 -2.75 116.57 120.96 1xgj h LYS 91 Ca -0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1xgj h LYS 91 Cb 0.15 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1xgj h LYS 91 CO 0.00 0.48 -0.31 0.66 -2.27 0.00 0.00 179.45 178.01 1xgj n TYR 92 N -4.31 0.00 -3.20 1.91 4.02 -0.71 -4.59 117.16 110.29 1xgj n TYR 92 Ca 0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.71 1xgj n TYR 92 Cb 0.22 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.48 1xgj n TYR 92 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1xgj s TRP 93 N -2.13 0.18 0.32 -0.72 -0.00 -0.95 -5.00 118.94 110.63 1xgj s TRP 93 Ca 0.19 -1.70 0.05 0.00 -0.00 0.00 0.00 56.10 54.63 1xgj s TRP 93 Cb 0.17 -0.51 0.68 0.00 -0.00 0.00 0.00 33.47 33.81 1xgj s TRP 93 CO 0.44 -0.97 1.85 -1.35 -0.00 0.00 0.00 176.95 176.92 1xgj h PRO 94 N 5.53 0.82 0.00 5.86 0.11 -1.74 -1.42 132.00 141.16 1xgj h PRO 94 Ca 0.19 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1xgj h PRO 94 Cb 0.98 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1xgj h PRO 94 CO 0.25 0.54 0.00 -0.85 -0.21 0.00 0.00 178.00 177.73 1xgj n GLU 95 N -4.59 0.58 -2.39 1.05 0.00 -1.26 -4.03 120.64 109.99 1xgj n GLU 95 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.91 1xgj n GLU 95 Cb 0.41 -1.39 0.00 0.00 0.00 0.00 0.00 31.44 30.46 1xgj n GLU 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1xgj n LEU 96 N -0.89 6.21 0.03 -1.84 7.94 -0.53 -4.69 117.00 123.23 1xgj n LEU 96 Ca 0.11 -4.45 0.12 0.00 -1.11 0.00 0.00 56.01 50.68 1xgj n LEU 96 Cb 0.05 -1.57 0.27 0.00 0.53 0.00 0.00 43.42 42.70 1xgj n LEU 96 CO 0.08 1.07 0.49 0.35 -1.11 0.00 0.00 177.39 178.27 1xgj n THR 97 N 4.21 0.17 -1.69 1.96 -2.24 -1.26 -4.81 114.28 110.63 1xgj n THR 97 Ca 0.42 -0.12 -0.44 0.00 -2.27 0.00 0.00 64.05 61.64 1xgj n THR 97 Cb 0.39 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 1xgj n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xgj n ALA 98 N -1.64 1.64 0.31 6.98 0.00 -1.26 -4.87 120.51 121.67 1xgj n ALA 98 Ca 0.05 0.41 0.18 0.00 0.00 0.00 0.00 53.44 54.08 1xgj n ALA 98 Cb 0.38 -2.36 1.03 0.00 0.00 0.00 0.00 19.45 18.50 1xgj n ALA 98 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1xgj h LYS 99 N 4.97 0.00 0.00 0.00 6.56 -1.93 -2.51 116.57 123.66 1xgj h LYS 99 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1xgj h LYS 99 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1xgj h LYS 99 CO 0.81 0.00 0.00 -0.56 -2.06 0.00 0.00 179.45 177.64 1xgj h GLN 100 N 0.00 0.00 0.00 3.15 -0.00 -1.94 -2.34 115.11 113.98 1xgj h GLN 100 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xgj h GLN 100 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1xgj h GLN 100 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 178.83 177.34 1xgj h TRP 101 N 0.00 0.00 -2.57 0.06 4.06 -1.81 -3.43 115.95 112.26 1xgj h TRP 101 Ca 0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 1xgj h TRP 101 Cb 0.24 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.41 1xgj h TRP 101 CO 0.00 0.00 1.10 -0.80 -3.56 0.00 0.00 178.44 175.18 1xgj s ASN 102 N -4.99 6.58 0.00 -3.49 0.02 -0.88 -1.27 114.94 110.91 1xgj s ASN 102 Ca 0.08 2.46 0.00 0.00 -1.02 0.00 0.00 52.86 54.37 1xgj s ASN 102 Cb 0.10 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.82 1xgj s ASN 102 CO 0.57 -0.95 0.00 0.61 0.02 0.00 0.00 177.10 177.35 1xgj n GLY 103 N 4.20 2.46 3.54 0.66 0.00 -1.26 -5.05 105.19 109.73 1xgj n GLY 103 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1xgj n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xgj s ILE 104 N -2.51 4.98 0.46 -0.61 1.01 -0.40 -4.90 121.20 119.24 1xgj s ILE 104 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.90 1xgj s ILE 104 Cb 0.00 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.45 1xgj s ILE 104 CO 0.00 -0.33 0.65 0.42 0.00 0.00 0.00 174.94 175.68 1xgj s THR 105 N 2.46 3.24 0.40 2.92 -4.23 -1.26 -1.48 115.64 117.68 1xgj s THR 105 Ca 0.19 -0.78 0.12 0.00 -1.18 0.00 0.00 61.69 60.04 1xgj s THR 105 Cb -0.15 -3.16 0.33 0.00 1.34 0.00 0.00 72.50 70.86 1xgj s THR 105 CO 0.15 -0.09 1.93 -0.07 -0.54 0.00 0.00 174.62 176.00 1xgj h LEU 106 N 0.42 0.50 -0.32 4.79 3.38 -1.29 -1.31 115.31 121.48 1xgj h LEU 106 Ca -0.43 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.60 1xgj h LEU 106 Cb 1.28 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1xgj h LEU 106 CO 0.51 0.28 0.09 0.25 0.09 0.00 0.00 178.44 179.67 1xgj h LEU 107 N 0.55 0.08 -0.86 1.67 5.85 -1.54 0.04 115.31 121.11 1xgj h LEU 107 Ca 0.36 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1xgj h LEU 107 Cb 0.63 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1xgj h LEU 107 CO -0.13 0.08 0.54 0.45 -0.34 0.00 0.00 178.44 179.04 1xgj h HIS 108 N 0.22 1.11 -0.25 1.25 3.86 -1.54 -1.54 115.15 118.26 1xgj h HIS 108 Ca 0.15 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1xgj h HIS 108 Cb 0.13 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 1xgj h HIS 108 CO -0.15 0.72 0.07 -0.07 0.86 0.00 0.00 177.93 179.36 1xgj h LEU 109 N 1.17 0.37 -1.74 2.43 3.38 -0.95 -1.18 115.31 118.79 1xgj h LEU 109 Ca 0.31 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1xgj h LEU 109 Cb -0.08 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1xgj h LEU 109 CO -0.06 0.49 -0.17 0.00 0.09 0.00 0.00 178.44 178.79 1xgj h ALA 110 N 0.89 1.56 -0.24 1.53 0.00 -0.55 -2.91 119.26 119.53 1xgj h ALA 110 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xgj h ALA 110 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xgj h ALA 110 CO -0.00 0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.71 1xgj n THR 111 N -4.10 1.93 -1.71 0.00 -2.24 -0.62 -4.46 114.28 103.09 1xgj n THR 111 Ca -0.02 -1.70 -0.19 0.00 -2.27 0.00 0.00 64.05 59.86 1xgj n THR 111 Cb 0.24 -0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.34 1xgj n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1xgj n TYR 112 N -0.38 -0.17 -1.07 4.78 4.01 -0.95 -4.85 117.16 118.53 1xgj n TYR 112 Ca 0.18 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.94 1xgj n TYR 112 Cb 0.75 -3.35 0.28 0.00 -0.31 0.00 0.00 39.34 36.71 1xgj n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1xgj n THR 113 N -2.72 2.58 0.33 -0.72 -2.24 -0.49 -1.77 114.28 109.24 1xgj n THR 113 Ca -0.20 -1.89 0.15 0.00 -2.27 0.00 0.00 64.05 59.84 1xgj n THR 113 Cb 0.64 -0.30 0.59 0.00 -2.10 0.00 0.00 70.33 69.16 1xgj n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xgj h ALA 114 N 2.19 1.00 0.00 6.98 0.00 -1.80 0.23 119.26 127.86 1xgj h ALA 114 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xgj h ALA 114 Cb 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1xgj h ALA 114 CO 0.43 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1xgj n GLY 115 N 0.13 1.78 0.00 0.00 0.00 -1.26 -4.12 105.19 101.72 1xgj n GLY 115 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1xgj n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xgj n GLY 116 N 0.00 1.52 3.73 -0.02 0.00 -1.26 -0.85 105.19 108.31 1xgj n GLY 116 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xgj n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xgj n LEU 117 N 0.00 4.56 -4.77 0.99 4.77 -1.26 -4.83 117.00 116.46 1xgj n LEU 117 Ca 0.00 1.10 -0.34 0.00 -0.03 0.00 0.00 56.01 56.75 1xgj n LEU 117 Cb 0.00 -1.55 0.03 0.00 -2.33 0.00 0.00 43.42 39.58 1xgj n LEU 117 CO 0.00 -0.45 0.76 -2.16 -1.33 0.00 0.00 177.39 174.21 1xgj s PRO 118 N -2.35 2.98 0.25 3.23 0.04 -1.26 -4.78 135.00 133.11 1xgj s PRO 118 Ca 0.62 1.47 -0.04 0.00 0.04 0.00 0.00 61.00 63.08 1xgj s PRO 118 Cb -0.48 -1.97 0.40 0.00 0.04 0.00 0.00 34.50 32.49 1xgj s PRO 118 CO 0.57 -1.12 1.81 1.25 0.04 0.00 0.00 177.00 179.56 1xgj h LEU 119 N 0.42 0.69 -8.85 -3.56 5.85 -1.91 -3.19 115.31 104.76 1xgj h LEU 119 Ca -0.48 0.05 -0.69 0.00 0.84 0.00 0.00 57.88 57.60 1xgj h LEU 119 Cb 1.25 -0.09 -0.24 0.00 0.37 0.00 0.00 40.66 41.96 1xgj h LEU 119 CO 0.55 0.39 -0.87 -1.10 -0.34 0.00 0.00 178.44 177.07 1xgj s GLN 120 N -6.03 1.54 -0.06 1.25 -0.21 -1.26 -0.62 119.66 114.27 1xgj s GLN 120 Ca -0.12 -1.27 -0.26 0.00 0.02 0.00 0.00 55.36 53.73 1xgj s GLN 120 Cb 0.19 -1.93 -0.03 0.00 1.00 0.00 0.00 33.01 32.24 1xgj s GLN 120 CO 0.78 0.47 0.82 0.08 -2.12 0.00 0.00 175.29 175.33 1xgj s VAL 121 N -0.97 4.96 0.36 1.09 1.01 -1.26 -4.80 120.40 120.78 1xgj s VAL 121 Ca 0.13 1.70 -0.26 0.00 0.00 0.00 0.00 61.98 63.56 1xgj s VAL 121 Cb -0.10 -4.16 -0.13 0.00 0.00 0.00 0.00 36.38 31.99 1xgj s VAL 121 CO 0.05 0.18 0.88 -2.65 0.00 0.00 0.00 175.10 173.56 1xgj n PRO 122 N 4.05 1.11 0.29 2.72 -0.02 -1.26 -4.86 135.00 137.03 1xgj n PRO 122 Ca 0.02 0.39 0.15 0.00 -2.02 0.00 0.00 63.50 62.05 1xgj n PRO 122 Cb 0.51 -1.79 0.91 0.00 -0.02 0.00 0.00 33.50 33.11 1xgj n PRO 122 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xgj h ASP 123 N 1.52 0.00 1.09 2.55 5.19 -2.01 -1.06 116.42 123.69 1xgj h ASP 123 Ca -0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1xgj h ASP 123 Cb 1.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.87 1xgj h ASP 123 CO 0.57 0.00 0.00 -1.84 -3.12 0.00 0.00 179.24 174.85 1xgj n GLU 124 N -3.83 0.08 -2.64 3.56 0.00 -1.26 -4.59 120.64 111.96 1xgj n GLU 124 Ca -0.03 0.09 -0.43 0.00 0.00 0.00 0.00 57.16 56.79 1xgj n GLU 124 Cb 0.10 -1.59 -0.02 0.00 0.00 0.00 0.00 31.44 29.92 1xgj n GLU 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1xgj s VAL 125 N -3.04 4.25 -0.28 3.84 1.01 -0.40 -4.79 120.40 120.99 1xgj s VAL 125 Ca 0.12 1.15 0.19 0.00 0.00 0.00 0.00 61.98 63.45 1xgj s VAL 125 Cb 0.16 -4.58 0.46 0.00 0.00 0.00 0.00 36.38 32.43 1xgj s VAL 125 CO 0.53 -0.98 1.26 0.29 0.00 0.00 0.00 175.10 176.20 1xgj n LYS 126 N 7.73 1.53 -3.49 2.72 5.02 -1.26 -4.32 118.16 126.10 1xgj n LYS 126 Ca 0.11 -2.63 -0.10 0.00 -2.02 0.00 0.00 58.31 53.68 1xgj n LYS 126 Cb 0.49 -0.82 -0.02 0.00 -0.02 0.00 0.00 35.03 34.65 1xgj n LYS 126 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xgj s SER 127 N -2.78 -0.42 0.23 4.39 1.04 -1.26 -5.01 113.70 109.88 1xgj s SER 127 Ca 0.21 0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.59 1xgj s SER 127 Cb 0.36 0.44 0.21 0.00 0.10 0.00 0.00 66.02 67.13 1xgj s SER 127 CO -0.07 -0.69 1.89 -1.28 0.98 0.00 0.00 173.24 174.06 1xgj h SER 128 N 2.04 1.05 0.19 7.02 0.87 -2.00 -1.44 113.55 121.28 1xgj h SER 128 Ca -0.25 -0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.13 1xgj h SER 128 Cb 1.25 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1xgj h SER 128 CO 0.33 0.78 -0.47 0.77 -0.53 0.00 0.00 176.83 177.71 1xgj h SER 129 N 1.21 0.36 -0.75 6.23 4.64 -1.99 -1.99 113.55 121.27 1xgj h SER 129 Ca 0.32 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1xgj h SER 129 Cb -0.09 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 61.86 1xgj h SER 129 CO -0.07 0.79 0.49 0.44 -0.87 0.00 0.00 176.83 177.61 1xgj h ASP 130 N 0.27 0.88 -0.10 4.97 5.19 -1.83 -0.01 116.42 125.79 1xgj h ASP 130 Ca 0.02 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1xgj h ASP 130 Cb 0.94 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.22 1xgj h ASP 130 CO 0.08 0.65 0.02 0.25 -3.12 0.00 0.00 179.24 177.12 1xgj h LEU 131 N 1.03 0.16 -0.39 1.55 6.46 -0.90 -0.36 115.31 122.85 1xgj h LEU 131 Ca 0.27 -0.24 0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1xgj h LEU 131 Cb -0.09 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 1xgj h LEU 131 CO -0.06 0.36 0.21 0.25 -0.62 0.00 0.00 178.44 178.58 1xgj h LEU 132 N -0.05 0.32 -0.39 2.25 5.85 -1.13 -2.02 115.31 120.14 1xgj h LEU 132 Ca 0.03 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.82 1xgj h LEU 132 Cb 0.26 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1xgj h LEU 132 CO 0.00 0.23 0.10 0.03 -0.34 0.00 0.00 178.44 178.46 1xgj h ARG 133 N 0.42 0.23 -0.25 1.25 3.08 -0.83 -0.86 114.38 117.42 1xgj h ARG 133 Ca 0.16 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.25 1xgj h ARG 133 Cb 0.05 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1xgj h ARG 133 CO -0.10 0.15 -0.08 0.35 -1.07 0.00 0.00 179.97 179.22 1xgj h PHE 134 N 0.23 -0.19 -0.11 3.04 3.57 -0.61 -1.09 116.94 121.79 1xgj h PHE 134 Ca 0.18 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.57 1xgj h PHE 134 Cb 0.20 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1xgj h PHE 134 CO -0.18 -0.14 -0.52 1.88 -2.23 0.00 0.00 178.31 177.13 1xgj h TYR 135 N -0.03 0.36 -0.55 0.41 0.05 -1.08 -2.25 116.97 113.87 1xgj h TYR 135 Ca 0.12 -0.12 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 1xgj h TYR 135 Cb 0.22 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 1xgj h TYR 135 CO -0.27 0.75 -0.07 1.96 -1.05 0.00 0.00 178.16 179.48 1xgj h GLN 136 N 0.23 1.02 0.00 4.88 1.08 -0.87 -3.09 115.11 118.36 1xgj h GLN 136 Ca 0.01 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 1xgj h GLN 136 Cb 0.99 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1xgj h GLN 136 CO 0.08 1.04 -0.20 0.09 -0.95 0.00 0.00 178.83 178.90 1xgj n ASN 137 N -4.19 0.31 -4.73 1.46 5.03 -0.44 -4.83 115.26 107.87 1xgj n ASN 137 Ca 0.02 0.27 -0.42 0.00 0.87 0.00 0.00 54.58 55.32 1xgj n ASN 137 Cb 0.38 -0.27 -0.03 0.00 -1.02 0.00 0.00 39.78 38.84 1xgj n ASN 137 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 1xgj s TRP 138 N -3.03 2.97 -0.28 3.10 -0.00 -0.85 -4.98 118.94 115.87 1xgj s TRP 138 Ca 0.12 0.65 -0.04 0.00 -0.00 0.00 0.00 56.10 56.83 1xgj s TRP 138 Cb 0.17 -3.98 0.02 0.00 -0.00 0.00 0.00 33.47 29.68 1xgj s TRP 138 CO 0.60 -3.52 0.02 -0.65 -0.00 0.00 0.00 176.95 173.40 1xgj s GLN 139 N 0.65 2.93 0.64 5.86 -1.52 -1.26 -4.99 119.66 121.97 1xgj s GLN 139 Ca 0.68 -0.94 -0.17 0.00 -1.95 0.00 0.00 55.36 52.98 1xgj s GLN 139 Cb -0.45 -3.21 -0.01 0.00 -0.22 0.00 0.00 33.01 29.12 1xgj s GLN 139 CO 0.36 -0.44 1.22 -1.25 -0.25 0.00 0.00 175.29 174.92 1xgj s PRO 140 N 1.41 2.67 -0.04 2.91 0.04 -1.26 -4.93 135.00 135.80 1xgj s PRO 140 Ca 0.01 1.82 0.20 0.00 0.04 0.00 0.00 61.00 63.08 1xgj s PRO 140 Cb -0.17 -1.89 -0.26 0.00 0.04 0.00 0.00 34.50 32.22 1xgj s PRO 140 CO -0.01 -1.44 0.48 0.00 0.04 0.00 0.00 177.00 176.07 1xgj n ALA 141 N -2.00 2.36 -2.22 8.56 0.00 -0.03 -4.98 120.51 122.21 1xgj n ALA 141 Ca 0.14 -0.69 -0.12 0.00 0.00 0.00 0.00 53.44 52.76 1xgj n ALA 141 Cb 0.50 -0.68 -0.10 0.00 0.00 0.00 0.00 19.45 19.17 1xgj n ALA 141 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1xgj s TRP 142 N -3.19 1.12 0.54 0.00 0.51 -1.10 -5.06 118.94 111.76 1xgj s TRP 142 Ca -0.07 -1.12 -0.18 0.00 -2.12 0.00 0.00 56.10 52.61 1xgj s TRP 142 Cb 0.11 -0.64 -0.06 0.00 -0.81 0.00 0.00 33.47 32.08 1xgj s TRP 142 CO 0.87 -0.34 1.07 0.00 -0.51 0.00 0.00 176.95 178.03 1xgj s ALA 143 N -3.81 2.77 0.55 0.98 0.00 -1.26 -4.43 121.76 116.56 1xgj s ALA 143 Ca 0.26 0.57 -0.21 0.00 0.00 0.00 0.00 51.96 52.58 1xgj s ALA 143 Cb 0.07 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1xgj s ALA 143 CO 0.04 -0.62 1.23 -1.25 0.00 0.00 0.00 175.76 175.16 1xgj s PRO 144 N -3.59 3.23 -0.80 0.00 0.04 -1.26 -3.25 135.00 129.37 1xgj s PRO 144 Ca 0.67 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1xgj s PRO 144 Cb -0.18 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1xgj s PRO 144 CO 0.28 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.71 1xgj n GLY 145 N 0.55 0.77 0.01 0.56 0.00 0.07 -4.90 105.19 102.24 1xgj n GLY 145 Ca 0.11 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.46 1xgj n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xgj n THR 146 N -3.05 0.10 -3.92 2.61 -2.24 -1.20 -4.84 114.28 101.74 1xgj n THR 146 Ca -0.08 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 1xgj n THR 146 Cb 0.33 -0.84 -0.12 0.00 -2.10 0.00 0.00 70.33 67.60 1xgj n THR 146 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1xgj s GLN 147 N -2.03 0.18 -0.19 -0.78 -0.21 -1.26 -2.07 119.66 113.29 1xgj s GLN 147 Ca -0.01 -0.29 -0.12 0.00 0.02 0.00 0.00 55.36 54.95 1xgj s GLN 147 Cb 0.00 0.07 -0.05 0.00 1.00 0.00 0.00 33.01 34.03 1xgj s GLN 147 CO 0.05 -0.03 0.22 0.50 -2.12 0.00 0.00 175.29 173.91 1xgj s ARG 148 N -0.75 4.20 -0.24 2.91 3.52 0.27 -4.32 118.95 124.54 1xgj s ARG 148 Ca -0.08 -0.08 -0.04 0.00 -0.13 0.00 0.00 55.73 55.40 1xgj s ARG 148 Cb -0.05 -3.45 0.08 0.00 -1.56 0.00 0.00 34.95 29.97 1xgj s ARG 148 CO -0.00 0.21 0.10 -1.17 -0.81 0.00 0.00 175.30 173.62 1xgj s LEU 149 N 0.59 0.78 -0.03 -0.88 2.96 -0.73 -1.75 118.68 119.62 1xgj s LEU 149 Ca 0.12 -1.03 -0.38 0.00 -0.22 0.00 0.00 54.13 52.63 1xgj s LEU 149 Cb -0.12 -0.42 -0.16 0.00 0.50 0.00 0.00 46.19 45.99 1xgj s LEU 149 CO 0.02 -0.38 1.50 0.00 -1.32 0.00 0.00 176.35 176.17 1xgj n TYR 150 N 5.18 1.76 -3.66 5.38 4.19 -1.26 -4.79 117.16 123.96 1xgj n TYR 150 Ca -0.06 0.56 -0.10 0.00 3.31 0.00 0.00 57.90 61.61 1xgj n TYR 150 Cb 0.45 -2.40 -0.08 0.00 0.49 0.00 0.00 39.34 37.80 1xgj n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1xgj s ALA 151 N 1.63 -1.62 0.31 2.98 0.00 -1.26 -4.23 121.76 119.58 1xgj s ALA 151 Ca 0.89 2.06 0.09 0.00 0.00 0.00 0.00 51.96 55.00 1xgj s ALA 151 Cb -0.97 -1.22 0.51 0.00 0.00 0.00 0.00 23.12 21.45 1xgj s ALA 151 CO 0.53 -0.33 1.72 -0.91 0.00 0.00 0.00 175.76 176.76 1xgj h ASN 152 N 6.52 0.12 0.90 0.00 2.35 -1.00 -2.60 115.58 121.87 1xgj h ASN 152 Ca -0.31 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1xgj h ASN 152 Cb 1.20 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1xgj h ASN 152 CO 0.17 0.56 0.00 0.77 -1.65 0.00 0.00 177.43 177.28 1xgj h SER 153 N 0.10 0.00 0.00 5.81 4.64 -1.63 0.60 113.55 123.07 1xgj h SER 153 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1xgj h SER 153 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1xgj h SER 153 CO 0.06 0.00 -0.18 -1.28 -0.87 0.00 0.00 176.83 174.56 1xgj h SER 154 N 0.00 0.00 0.87 4.97 0.87 -1.70 -3.29 113.55 115.27 1xgj h SER 154 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1xgj h SER 154 Cb 0.45 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1xgj h SER 154 CO 0.00 0.28 -0.12 -0.29 -0.53 0.00 0.00 176.83 176.17 1xgj h ILE 155 N -0.39 0.34 -0.38 2.23 2.10 -1.28 -2.32 117.51 117.81 1xgj h ILE 155 Ca 0.00 -0.79 -0.04 0.00 1.08 0.00 0.00 64.86 65.11 1xgj h ILE 155 Cb 0.18 1.60 -0.02 0.00 -1.09 0.00 0.00 36.82 37.49 1xgj h ILE 155 CO 0.00 0.12 0.09 1.23 -1.08 0.00 0.00 178.15 178.51 1xgj h GLY 156 N 1.86 0.65 1.21 8.18 0.00 -1.08 -1.65 103.07 112.24 1xgj h GLY 156 Ca -0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 1xgj h GLY 156 CO 0.02 0.38 -0.12 -2.00 0.00 0.00 0.00 176.54 174.82 1xgj h LEU 157 N 0.46 0.92 -0.69 3.11 5.85 -1.54 -2.26 115.31 121.16 1xgj h LEU 157 Ca 0.12 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.61 1xgj h LEU 157 Cb 0.31 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 1xgj h LEU 157 CO 0.00 1.05 0.38 0.15 -0.34 0.00 0.00 178.44 179.67 1xgj h PHE 158 N 0.83 0.69 -0.10 1.25 3.57 -1.16 -0.86 116.94 121.15 1xgj h PHE 158 Ca 0.13 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1xgj h PHE 158 Cb 0.65 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1xgj h PHE 158 CO 0.04 0.31 0.06 0.78 -2.23 0.00 0.00 178.31 177.27 1xgj h GLY 159 N 0.68 0.15 1.20 2.40 0.00 -0.97 0.11 103.07 106.65 1xgj h GLY 159 Ca 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1xgj h GLY 159 CO -0.20 0.06 0.41 0.00 0.00 0.00 0.00 176.54 176.81 1xgj h ALA 160 N 0.97 1.30 0.08 3.60 0.00 -1.06 -2.88 119.26 121.27 1xgj h ALA 160 Ca 0.04 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 1xgj h ALA 160 Cb 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1xgj h ALA 160 CO -0.01 0.57 -1.15 -0.07 0.00 0.00 0.00 179.25 178.59 1xgj h LEU 161 N 1.05 0.28 -1.85 0.00 3.38 -1.03 -3.31 115.31 113.83 1xgj h LEU 161 Ca 0.27 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1xgj h LEU 161 Cb 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1xgj h LEU 161 CO -0.04 1.23 0.15 0.00 0.09 0.00 0.00 178.44 179.87 1xgj h ALA 162 N 0.73 1.96 -0.02 1.53 0.00 -0.55 -1.80 119.26 121.11 1xgj h ALA 162 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xgj h ALA 162 Cb 1.90 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1xgj h ALA 162 CO 0.18 0.01 -0.05 1.33 0.00 0.00 0.00 179.25 180.72 1xgj n VAL 163 N -4.50 0.00 -0.19 0.00 0.24 -1.19 -4.43 118.33 108.25 1xgj n VAL 163 Ca 0.01 -0.27 -0.08 0.00 -2.04 0.00 0.00 64.34 61.96 1xgj n VAL 163 Cb 0.15 0.65 0.02 0.00 -1.47 0.00 0.00 33.84 33.18 1xgj n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1xgj h LYS 164 N 2.51 0.83 -0.89 7.34 1.57 -1.42 -2.55 116.57 123.96 1xgj h LYS 164 Ca 0.00 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1xgj h LYS 164 Cb 0.58 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1xgj h LYS 164 CO 0.00 0.73 0.58 -1.35 -0.57 0.00 0.00 179.45 178.85 1xgj h PRO 165 N 0.75 1.06 0.00 3.15 0.11 -1.77 -1.54 132.00 133.76 1xgj h PRO 165 Ca 0.18 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 1xgj h PRO 165 Cb 0.22 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 1xgj h PRO 165 CO -0.01 0.70 -0.06 0.66 -0.21 0.00 0.00 178.00 179.09 1xgj h SER 166 N 1.10 0.00 0.00 -2.05 4.64 -1.75 -3.46 113.55 112.03 1xgj h SER 166 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1xgj h SER 166 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1xgj h SER 166 CO -0.11 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 1xgj n GLY 167 N -1.29 2.10 3.87 -0.77 0.00 -0.58 -5.02 105.19 103.50 1xgj n GLY 167 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1xgj n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xgj s LEU 168 N 0.00 3.86 0.82 0.99 1.43 -1.26 -5.07 118.68 119.46 1xgj s LEU 168 Ca 0.00 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 1xgj s LEU 168 Cb 0.00 -4.02 0.09 0.00 0.03 0.00 0.00 46.19 42.29 1xgj s LEU 168 CO 0.00 -0.37 1.09 -0.94 0.23 0.00 0.00 176.35 176.36 1xgj s SER 169 N -3.04 4.14 0.21 2.29 1.04 -1.26 -4.73 113.70 112.35 1xgj s SER 169 Ca 0.52 1.55 -0.09 0.00 0.48 0.00 0.00 55.95 58.41 1xgj s SER 169 Cb -0.10 -2.26 0.25 0.00 0.10 0.00 0.00 66.02 64.00 1xgj s SER 169 CO 0.29 -2.23 1.82 0.15 0.98 0.00 0.00 173.24 174.25 1xgj h PHE 170 N -1.26 0.73 -0.65 5.02 3.57 -1.93 -1.32 116.94 121.09 1xgj h PHE 170 Ca -0.47 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.01 1xgj h PHE 170 Cb 1.26 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 1xgj h PHE 170 CO 0.49 0.36 0.23 1.49 -2.23 0.00 0.00 178.31 178.65 1xgj h GLU 171 N 0.73 1.00 -0.43 1.11 4.81 -1.98 0.24 114.58 120.06 1xgj h GLU 171 Ca 0.31 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1xgj h GLU 171 Cb 0.17 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1xgj h GLU 171 CO -0.17 0.86 0.16 1.96 -0.73 0.00 0.00 179.01 181.08 1xgj h GLN 172 N 0.93 0.66 -0.52 1.92 1.08 -1.83 0.10 115.11 117.45 1xgj h GLN 172 Ca 0.21 -0.13 -0.11 0.00 -1.45 0.00 0.00 58.65 57.17 1xgj h GLN 172 Cb 0.25 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1xgj h GLN 172 CO -0.01 0.63 -0.12 0.00 -0.95 0.00 0.00 178.83 178.38 1xgj h ALA 173 N 1.00 0.72 -0.05 3.87 0.00 -1.09 -1.01 119.26 122.70 1xgj h ALA 173 Ca 0.14 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xgj h ALA 173 Cb 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xgj h ALA 173 CO -0.01 0.64 0.02 1.98 0.00 0.00 0.00 179.25 181.88 1xgj h MET 174 N 0.87 0.07 0.04 0.00 1.85 -0.69 0.19 114.93 117.26 1xgj h MET 174 Ca 0.13 -0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.23 1xgj h MET 174 Cb 0.69 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.68 1xgj h MET 174 CO 0.05 0.20 -0.13 1.96 -0.40 0.00 0.00 176.91 178.60 1xgj h GLN 175 N -0.08 -0.22 0.00 0.39 1.08 -0.91 -0.67 115.11 114.70 1xgj h GLN 175 Ca 0.02 0.02 -0.17 0.00 -1.45 0.00 0.00 58.65 57.06 1xgj h GLN 175 Cb 0.16 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1xgj h GLN 175 CO -0.00 -0.15 -0.80 1.79 -0.95 0.00 0.00 178.83 178.71 1xgj h THR 176 N -0.23 1.57 0.00 -0.54 1.35 -1.15 0.41 112.91 114.31 1xgj h THR 176 Ca 0.03 -2.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 1xgj h THR 176 Cb 0.27 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1xgj h THR 176 CO -0.10 0.78 -1.90 0.54 -0.25 0.00 0.00 175.52 174.60 1xgj n ARG 177 N -3.60 0.60 0.04 4.72 1.74 0.05 -4.42 116.66 115.80 1xgj n ARG 177 Ca -0.01 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1xgj n ARG 177 Cb 0.77 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 1xgj n ARG 177 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1xgj n VAL 178 N -2.18 0.52 0.28 1.55 0.31 -0.38 -4.71 118.33 113.71 1xgj n VAL 178 Ca -0.03 0.17 -0.16 0.00 -0.01 0.00 0.00 64.34 64.32 1xgj n VAL 178 Cb 0.54 -1.29 -0.08 0.00 -0.91 0.00 0.00 33.84 32.09 1xgj n VAL 178 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1xgj h PHE 179 N 0.00 -0.64 -0.08 3.52 0.04 -1.17 -2.94 116.94 115.67 1xgj h PHE 179 Ca 0.00 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.77 1xgj h PHE 179 Cb 0.33 0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1xgj h PHE 179 CO 0.00 -0.33 0.01 1.96 -0.60 0.00 0.00 178.31 179.34 1xgj h GLN 180 N -0.85 0.04 -0.03 1.51 4.20 -1.15 0.32 115.11 119.15 1xgj h GLN 180 Ca -0.07 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1xgj h GLN 180 Cb 0.59 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1xgj h GLN 180 CO 0.12 0.03 -0.02 -1.35 -0.67 0.00 0.00 178.83 176.93 1xgj h PRO 181 N 0.04 0.04 -0.18 1.46 0.11 -1.77 -1.95 132.00 129.75 1xgj h PRO 181 Ca 0.04 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1xgj h PRO 181 Cb 0.04 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1xgj h PRO 181 CO -0.06 0.06 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 1xgj n LEU 182 N -4.50 2.08 -3.00 2.35 4.77 -0.96 -4.95 117.00 112.79 1xgj n LEU 182 Ca -0.03 -0.84 -0.21 0.00 -0.03 0.00 0.00 56.01 54.90 1xgj n LEU 182 Cb 0.12 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1xgj n LEU 182 CO 0.35 0.42 0.08 0.29 -1.33 0.00 0.00 177.39 177.20 1xgj n LYS 183 N 0.60 -5.57 -3.07 3.23 4.76 -0.61 -4.91 118.16 112.58 1xgj n LYS 183 Ca 0.17 0.82 -0.44 0.00 -2.87 0.00 0.00 58.31 55.99 1xgj n LYS 183 Cb 0.41 -5.59 -0.00 0.00 -1.84 0.00 0.00 35.03 28.00 1xgj n LYS 183 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xgj s LEU 184 N -6.44 5.50 0.00 -0.35 1.43 0.00 -4.76 118.68 114.06 1xgj s LEU 184 Ca 0.37 -3.06 0.29 0.00 -1.03 0.00 0.00 54.13 50.70 1xgj s LEU 184 Cb -0.17 -2.34 1.26 0.00 0.03 0.00 0.00 46.19 44.98 1xgj s LEU 184 CO 0.46 -0.64 1.87 0.59 0.23 0.00 0.00 176.35 178.87 1xgj n ASN 185 N 4.82 0.56 -2.42 2.29 3.02 -1.26 -3.67 115.26 118.60 1xgj n ASN 185 Ca 0.31 -0.74 -0.13 0.00 -0.03 0.00 0.00 54.58 53.98 1xgj n ASN 185 Cb 0.43 -0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.58 1xgj n ASN 185 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1xgj n HIS 186 N -0.82 2.09 -4.54 3.10 8.25 -1.26 -5.01 115.22 117.03 1xgj n HIS 186 Ca 0.16 -2.27 -0.28 0.00 -0.26 0.00 0.00 57.72 55.07 1xgj n HIS 186 Cb 0.27 -0.28 -0.17 0.00 1.12 0.00 0.00 29.99 30.93 1xgj n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1xgj s THR 187 N -4.25 1.44 0.03 1.59 2.01 -1.24 -3.60 115.64 111.62 1xgj s THR 187 Ca 0.40 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.77 1xgj s THR 187 Cb 0.37 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 1xgj s THR 187 CO -0.01 0.43 -0.04 0.26 -0.69 0.00 0.00 174.62 174.57 1xgj s TRP 188 N 0.88 0.39 -0.12 4.92 0.52 -0.36 -4.99 118.94 120.19 1xgj s TRP 188 Ca -0.09 -0.63 -0.00 0.00 0.02 0.00 0.00 56.10 55.39 1xgj s TRP 188 Cb -0.15 -0.27 -0.25 0.00 -1.15 0.00 0.00 33.47 31.65 1xgj s TRP 188 CO 0.00 -0.21 0.37 -0.89 0.02 0.00 0.00 176.95 176.25 1xgj n ILE 189 N 1.26 1.70 -4.06 2.03 5.41 -1.26 -0.44 119.36 124.00 1xgj n ILE 189 Ca -0.22 -0.69 -0.30 0.00 1.00 0.00 0.00 62.75 62.55 1xgj n ILE 189 Cb 0.56 -1.50 -0.16 0.00 -0.71 0.00 0.00 39.64 37.83 1xgj n ILE 189 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1xgj s ASN 190 N -6.71 2.65 -0.13 4.38 0.01 -1.26 -4.74 114.94 109.14 1xgj s ASN 190 Ca -0.19 -0.48 -0.29 0.00 -0.71 0.00 0.00 52.86 51.19 1xgj s ASN 190 Cb 0.07 -1.17 -0.03 0.00 0.41 0.00 0.00 41.25 40.53 1xgj s ASN 190 CO 0.77 -0.05 1.44 -0.69 -1.51 0.00 0.00 177.10 177.06 1xgj s VAL 191 N 1.44 3.96 0.60 1.60 1.01 -1.26 -4.99 120.40 122.76 1xgj s VAL 191 Ca 0.04 1.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.99 1xgj s VAL 191 Cb -0.13 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1xgj s VAL 191 CO -0.10 -0.13 1.16 -2.84 0.00 0.00 0.00 175.10 173.19 1xgj s PRO 192 N 3.82 3.01 0.57 2.72 0.02 -1.26 -4.87 135.00 139.01 1xgj s PRO 192 Ca 0.63 1.65 0.26 0.00 0.02 0.00 0.00 61.00 63.56 1xgj s PRO 192 Cb -0.26 -1.96 1.58 0.00 0.02 0.00 0.00 34.50 33.88 1xgj s PRO 192 CO 0.22 -1.13 2.13 -1.35 -0.33 0.00 0.00 177.00 176.54 1xgj h PRO 193 N 0.73 0.00 0.00 5.54 0.11 -2.01 0.12 132.00 136.50 1xgj h PRO 193 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1xgj h PRO 193 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1xgj h PRO 193 CO 0.55 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 178.21 1xgj h ALA 194 N 1.86 1.38 -0.15 -0.75 0.00 -2.02 -2.73 119.26 116.84 1xgj h ALA 194 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xgj h ALA 194 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xgj h ALA 194 CO -0.00 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.80 1xgj n GLU 195 N -3.79 1.82 0.02 0.00 -0.58 0.01 -4.62 120.64 113.50 1xgj n GLU 195 Ca -0.02 -1.77 0.06 0.00 -0.42 0.00 0.00 57.16 55.00 1xgj n GLU 195 Cb 0.23 -1.37 0.46 0.00 -0.57 0.00 0.00 31.44 30.19 1xgj n GLU 195 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1xgj h GLU 196 N 3.51 0.46 0.00 3.49 5.08 -1.27 -1.22 114.58 124.63 1xgj h GLU 196 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1xgj h GLU 196 Cb 0.79 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1xgj h GLU 196 CO 0.00 0.30 0.00 0.36 -1.00 0.00 0.00 179.01 178.67 1xgj n LYS 197 N -4.48 0.19 0.00 2.33 -0.00 -1.26 -2.08 118.16 112.86 1xgj n LYS 197 Ca 0.03 0.50 0.11 0.00 -0.00 0.00 0.00 58.31 58.95 1xgj n LYS 197 Cb 0.11 -1.92 0.04 0.00 -0.00 0.00 0.00 35.03 33.26 1xgj n LYS 197 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1xgj n ASN 198 N -2.29 2.45 -4.57 -5.58 3.02 -0.47 -4.88 115.26 102.93 1xgj n ASN 198 Ca 0.01 -1.72 -0.43 0.00 -0.03 0.00 0.00 54.58 52.41 1xgj n ASN 198 Cb 0.17 0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.57 1xgj n ASN 198 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xgj s TYR 199 N -2.21 2.72 0.69 3.10 5.04 -0.88 0.17 117.35 125.98 1xgj s TYR 199 Ca 0.22 0.39 -0.16 0.00 -2.44 0.00 0.00 57.07 55.09 1xgj s TYR 199 Cb 0.19 -4.36 0.02 0.00 0.35 0.00 0.00 41.96 38.15 1xgj s TYR 199 CO 0.44 -1.43 1.21 0.00 -1.34 0.00 0.00 175.55 174.43 1xgj s ALA 200 N 4.54 2.25 0.26 3.97 0.00 -0.66 -4.92 121.76 127.19 1xgj s ALA 200 Ca 0.41 0.92 -0.13 0.00 0.00 0.00 0.00 51.96 53.16 1xgj s ALA 200 Cb -0.09 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 1xgj s ALA 200 CO 0.26 -1.67 0.63 -1.58 0.00 0.00 0.00 175.76 173.40 1xgj s TRP 201 N -1.87 3.43 0.36 0.00 0.52 0.38 -4.92 118.94 116.84 1xgj s TRP 201 Ca 0.75 1.05 -0.03 0.00 0.02 0.00 0.00 56.10 57.89 1xgj s TRP 201 Cb -0.30 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.58 1xgj s TRP 201 CO 0.42 0.22 0.62 0.20 0.02 0.00 0.00 176.95 178.43 1xgj s GLY 202 N -2.23 1.59 -0.10 0.98 0.00 -0.08 -4.81 107.32 102.66 1xgj s GLY 202 Ca 0.49 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1xgj s GLY 202 CO 0.19 -0.55 -0.09 -0.19 0.00 0.00 0.00 173.10 172.47 1xgj s TYR 203 N -2.34 1.48 -0.18 1.90 2.02 -0.71 -0.34 117.35 119.18 1xgj s TYR 203 Ca 0.44 -0.70 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 1xgj s TYR 203 Cb -0.10 -1.20 0.05 0.00 -0.40 0.00 0.00 41.96 40.31 1xgj s TYR 203 CO 0.36 -0.46 -0.01 0.50 -1.57 0.00 0.00 175.55 174.36 1xgj s ARG 204 N 1.48 1.03 -1.41 -0.62 3.52 -0.57 -4.40 118.95 117.98 1xgj s ARG 204 Ca 0.01 -0.46 -0.05 0.00 -0.13 0.00 0.00 55.73 55.09 1xgj s ARG 204 Cb -0.13 -2.00 0.03 0.00 -1.56 0.00 0.00 34.95 31.29 1xgj s ARG 204 CO -0.06 -0.53 0.76 0.39 -0.81 0.00 0.00 175.30 175.06 1xgj n GLU 205 N 4.95 -4.86 0.00 5.12 -0.58 -1.26 -1.41 120.64 122.60 1xgj n GLU 205 Ca -0.10 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1xgj n GLU 205 Cb 0.47 -5.20 0.00 0.00 -0.57 0.00 0.00 31.44 26.15 1xgj n GLU 205 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xgj n GLY 206 N -1.66 2.15 3.82 0.62 0.00 -1.26 -5.00 105.19 103.86 1xgj n GLY 206 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1xgj n GLY 206 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xgj s LYS 207 N 0.00 3.98 -0.15 1.61 0.00 -0.50 -5.05 119.74 119.64 1xgj s LYS 207 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 55.97 56.12 1xgj s LYS 207 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 37.83 34.58 1xgj s LYS 207 CO 0.00 0.64 1.07 0.00 0.00 0.00 0.00 175.35 177.06 1xgj s ALA 208 N -0.92 3.54 0.02 0.59 0.00 -1.26 -1.52 121.76 122.21 1xgj s ALA 208 Ca 0.24 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 1xgj s ALA 208 Cb -0.17 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1xgj s ALA 208 CO 0.14 -0.83 -0.01 0.14 0.00 0.00 0.00 175.76 175.19 1xgj s VAL 209 N 2.58 0.12 0.15 0.00 -7.23 0.54 -4.91 120.40 111.64 1xgj s VAL 209 Ca 0.49 -0.96 0.09 0.00 -1.81 0.00 0.00 61.98 59.78 1xgj s VAL 209 Cb -0.18 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 1xgj s VAL 209 CO 0.14 -0.53 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.20 1xgj s HIS 210 N -1.67 1.92 0.30 2.82 3.76 -1.26 -0.90 115.29 120.25 1xgj s HIS 210 Ca -0.14 -0.43 -0.29 0.00 -0.15 0.00 0.00 55.06 54.05 1xgj s HIS 210 Cb -0.08 -0.99 -0.13 0.00 1.11 0.00 0.00 32.58 32.49 1xgj s HIS 210 CO -0.02 0.31 1.37 1.55 -0.85 0.00 0.00 174.74 177.10 1xgj n VAL 211 N 0.60 1.49 -2.63 -0.90 3.14 -1.26 -4.99 118.33 113.79 1xgj n VAL 211 Ca -0.16 -0.37 -0.31 0.00 -2.96 0.00 0.00 64.34 60.55 1xgj n VAL 211 Cb 0.55 -1.57 -0.03 0.00 -1.06 0.00 0.00 33.84 31.73 1xgj n VAL 211 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1xgj s SER 212 N 0.01 6.51 0.42 6.55 0.01 -1.26 -5.04 113.70 120.89 1xgj s SER 212 Ca 0.61 1.26 -0.24 0.00 1.31 0.00 0.00 55.95 58.90 1xgj s SER 212 Cb -0.59 -2.38 -0.08 0.00 0.21 0.00 0.00 66.02 63.17 1xgj s SER 212 CO 0.56 -0.51 1.16 -2.84 0.41 0.00 0.00 173.24 172.02 1xgj s PRO 213 N -4.09 3.94 0.20 12.44 0.02 -1.26 -5.04 135.00 141.21 1xgj s PRO 213 Ca 0.53 1.78 -0.23 0.00 0.02 0.00 0.00 61.00 63.11 1xgj s PRO 213 Cb -0.10 -2.55 0.05 0.00 0.02 0.00 0.00 34.50 31.92 1xgj s PRO 213 CO 0.34 -0.40 0.66 0.20 -0.33 0.00 0.00 177.00 177.47 1xgj s GLY 214 N -1.27 -0.43 0.28 0.52 0.00 -1.26 -5.07 107.32 100.10 1xgj s GLY 214 Ca 0.60 0.22 -0.30 0.00 0.00 0.00 0.00 44.72 45.24 1xgj s GLY 214 CO 0.36 0.08 1.50 0.00 0.00 0.00 0.00 173.10 175.03 1xgj s ALA 215 N -3.78 3.66 -1.79 3.20 0.00 -1.26 -2.07 121.76 119.72 1xgj s ALA 215 Ca 0.05 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1xgj s ALA 215 Cb -0.03 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1xgj s ALA 215 CO -0.06 -0.86 0.00 1.28 0.00 0.00 0.00 175.76 176.12 1xgj n LEU 216 N 2.00 -1.67 -0.10 0.00 4.77 -1.26 -4.86 117.00 115.88 1xgj n LEU 216 Ca 0.06 0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 56.12 1xgj n LEU 216 Cb 0.39 -2.77 -0.03 0.00 -2.33 0.00 0.00 43.42 38.69 1xgj n LEU 216 CO 0.62 -0.48 0.83 -2.24 -1.33 0.00 0.00 177.39 174.79 1xgj h ASP 217 N 0.00 0.49 -0.52 -1.43 3.04 -1.83 -1.53 116.42 114.64 1xgj h ASP 217 Ca -0.44 -0.25 0.09 0.00 -3.24 0.00 0.00 57.03 53.19 1xgj h ASP 217 Cb 1.31 -0.13 -0.07 0.00 -1.04 0.00 0.00 39.33 39.40 1xgj h ASP 217 CO 0.56 0.61 0.10 0.00 -2.04 0.00 0.00 179.24 178.46 1xgj h ALA 218 N 0.89 0.58 -0.00 4.15 0.00 -1.90 0.33 119.26 123.31 1xgj h ALA 218 Ca 0.10 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1xgj h ALA 218 Cb 0.32 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1xgj h ALA 218 CO 0.00 -0.31 -0.66 0.93 0.00 0.00 0.00 179.25 179.21 1xgj h GLU 219 N 0.23 0.02 0.00 0.00 3.07 -1.85 -3.24 114.58 112.81 1xgj h GLU 219 Ca 0.26 -0.01 -0.22 0.00 -0.50 0.00 0.00 59.36 58.89 1xgj h GLU 219 Cb 0.36 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.23 1xgj h GLU 219 CO -0.35 0.67 -1.98 0.00 -1.40 0.00 0.00 179.01 175.96 1xgj n ALA 220 N -2.42 1.83 -1.99 3.43 0.00 -0.59 -4.60 120.51 116.18 1xgj n ALA 220 Ca -0.01 -0.87 -0.04 0.00 0.00 0.00 0.00 53.44 52.51 1xgj n ALA 220 Cb 0.65 -0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 1xgj n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1xgj n TYR 221 N -2.46 0.00 -0.22 0.00 0.18 0.14 -4.09 117.16 110.71 1xgj n TYR 221 Ca -0.20 -0.31 0.12 0.00 1.88 0.00 0.00 57.90 59.38 1xgj n TYR 221 Cb 0.87 0.41 0.30 0.00 -0.38 0.00 0.00 39.34 40.54 1xgj n TYR 221 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1xgj n GLY 222 N 0.00 2.33 3.78 -7.48 0.00 0.94 -3.97 105.19 100.79 1xgj n GLY 222 Ca -0.18 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 1xgj n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xgj s VAL 223 N -1.11 4.28 -0.04 1.61 1.01 -1.26 -4.36 120.40 120.53 1xgj s VAL 223 Ca 0.47 1.78 0.05 0.00 0.00 0.00 0.00 61.98 64.28 1xgj s VAL 223 Cb 0.25 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1xgj s VAL 223 CO 0.33 0.38 -0.21 -0.54 0.00 0.00 0.00 175.10 175.06 1xgj s LYS 224 N -1.50 2.02 0.25 2.72 3.01 0.42 -1.33 119.74 125.32 1xgj s LYS 224 Ca 0.42 -0.74 -0.14 0.00 -1.01 0.00 0.00 55.97 54.50 1xgj s LYS 224 Cb -0.22 -1.78 -0.00 0.00 -1.01 0.00 0.00 37.83 34.82 1xgj s LYS 224 CO 0.26 0.34 0.52 0.45 0.51 0.00 0.00 175.35 177.43 1xgj s SER 225 N -0.15 -0.11 0.34 2.83 0.15 -0.59 -1.22 113.70 114.94 1xgj s SER 225 Ca -0.01 -0.89 0.07 0.00 0.70 0.00 0.00 55.95 55.83 1xgj s SER 225 Cb -0.11 0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 64.79 1xgj s SER 225 CO 0.02 -1.18 0.40 0.42 1.20 0.00 0.00 173.24 174.10 1xgj s THR 226 N -3.99 3.77 0.38 6.45 -4.23 -1.24 -0.80 115.64 115.98 1xgj s THR 226 Ca 0.21 -1.16 0.12 0.00 -1.18 0.00 0.00 61.69 59.67 1xgj s THR 226 Cb -0.01 -3.29 0.11 0.00 1.34 0.00 0.00 72.50 70.64 1xgj s THR 226 CO 0.09 -0.15 1.85 -0.29 -0.54 0.00 0.00 174.62 175.57 1xgj h ILE 227 N 1.04 1.24 -0.12 2.99 6.09 -1.72 -0.69 117.51 126.33 1xgj h ILE 227 Ca -0.45 -1.13 -0.07 0.00 -1.37 0.00 0.00 64.86 61.84 1xgj h ILE 227 Cb 1.26 1.56 -0.00 0.00 0.47 0.00 0.00 36.82 40.10 1xgj h ILE 227 CO 0.55 0.33 -0.20 -0.33 -3.07 0.00 0.00 178.15 175.42 1xgj h GLU 228 N 0.06 0.35 -0.43 2.19 5.08 -1.94 -0.72 114.58 119.17 1xgj h GLU 228 Ca 0.01 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1xgj h GLU 228 Cb 0.58 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1xgj h GLU 228 CO 0.04 0.80 0.01 -0.44 -1.00 0.00 0.00 179.01 178.43 1xgj h ASP 229 N -0.06 0.65 -0.09 1.42 5.19 -1.85 -1.17 116.42 120.51 1xgj h ASP 229 Ca 0.01 -0.14 -0.14 0.00 -0.62 0.00 0.00 57.03 56.14 1xgj h ASP 229 Cb 0.78 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 1xgj h ASP 229 CO 0.05 0.72 -0.40 0.24 -3.12 0.00 0.00 179.24 176.72 1xgj h MET 230 N 0.65 0.61 -0.84 3.56 2.86 -1.05 0.36 114.93 121.09 1xgj h MET 230 Ca 0.13 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1xgj h MET 230 Cb 0.39 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 1xgj h MET 230 CO 0.01 0.91 0.47 0.00 1.06 0.00 0.00 176.91 179.36 1xgj h ALA 231 N 1.06 1.08 -0.29 6.32 0.00 -0.69 -0.74 119.26 125.99 1xgj h ALA 231 Ca 0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1xgj h ALA 231 Cb 0.91 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xgj h ALA 231 CO 0.08 0.58 -0.20 -0.09 0.00 0.00 0.00 179.25 179.61 1xgj h ARG 232 N 1.17 0.54 -0.50 0.00 2.43 -0.67 -0.48 114.38 116.87 1xgj h ARG 232 Ca 0.30 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1xgj h ARG 232 Cb 0.01 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1xgj h ARG 232 CO -0.05 0.71 0.22 2.35 -1.51 0.00 0.00 179.97 181.69 1xgj h TRP 233 N 0.48 0.74 -0.23 2.20 -0.00 -0.18 -0.97 115.95 118.00 1xgj h TRP 233 Ca 0.08 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.89 58.90 1xgj h TRP 233 Cb 0.62 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 29.54 1xgj h TRP 233 CO 0.02 0.60 0.06 0.28 -0.00 0.00 0.00 178.44 179.41 1xgj h VAL 234 N 0.66 1.20 -0.87 2.65 2.07 -0.79 -1.83 116.25 119.34 1xgj h VAL 234 Ca 0.17 -0.65 0.13 0.00 0.82 0.00 0.00 66.70 67.17 1xgj h VAL 234 Cb 0.16 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 1xgj h VAL 234 CO -0.02 0.21 0.48 1.56 0.02 0.00 0.00 177.57 179.82 1xgj h GLN 235 N 0.20 0.70 -0.67 1.57 4.20 -0.79 0.25 115.11 120.56 1xgj h GLN 235 Ca 0.07 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 1xgj h GLN 235 Cb 0.26 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1xgj h GLN 235 CO -0.00 0.46 0.18 0.77 -0.67 0.00 0.00 178.83 179.57 1xgj h SER 236 N 0.72 1.00 0.83 1.46 0.02 -0.92 -1.81 113.55 114.86 1xgj h SER 236 Ca 0.46 -0.22 -0.14 0.00 -0.84 0.00 0.00 61.79 61.04 1xgj h SER 236 Cb 0.57 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1xgj h SER 236 CO -0.32 0.96 -0.68 0.78 -1.14 0.00 0.00 176.83 176.43 1xgj h ASN 237 N 0.99 0.00 -0.41 3.07 2.35 -0.54 -2.30 115.58 118.75 1xgj h ASN 237 Ca 0.21 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.81 1xgj h ASN 237 Cb 0.34 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1xgj h ASN 237 CO -0.00 0.68 -0.32 -0.07 -1.65 0.00 0.00 177.43 176.07 1xgj h LEU 238 N 0.00 1.00 -6.20 1.61 3.38 -0.26 -3.38 115.31 111.46 1xgj h LEU 238 Ca -0.01 -0.43 -0.58 0.00 0.09 0.00 0.00 57.88 56.96 1xgj h LEU 238 Cb 1.28 -0.28 -0.40 0.00 0.09 0.00 0.00 40.66 41.36 1xgj h LEU 238 CO 0.09 1.22 -0.92 0.29 0.09 0.00 0.00 178.44 179.21 1xgj n LYS 239 N -4.08 1.11 -0.24 1.13 5.02 -0.70 -4.82 118.16 115.58 1xgj n LYS 239 Ca -0.01 -3.64 -0.00 0.00 -2.02 0.00 0.00 58.31 52.63 1xgj n LYS 239 Cb 0.51 -1.62 0.21 0.00 -0.02 0.00 0.00 35.03 34.11 1xgj n LYS 239 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1xgj h PRO 240 N 4.46 1.04 0.00 1.97 0.13 -1.60 -1.79 132.00 136.22 1xgj h PRO 240 Ca 0.14 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1xgj h PRO 240 Cb 0.83 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1xgj h PRO 240 CO 0.55 0.71 0.01 1.28 -0.23 0.00 0.00 178.00 180.32 1xgj n LEU 241 N -4.40 0.00 -0.41 1.56 4.77 -1.26 -0.05 117.00 117.22 1xgj n LEU 241 Ca 0.08 0.46 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 1xgj n LEU 241 Cb 0.05 -0.46 0.43 0.00 -2.33 0.00 0.00 43.42 41.11 1xgj n LEU 241 CO 0.37 -0.46 0.75 0.47 -1.33 0.00 0.00 177.39 177.19 1xgj n ASP 242 N -1.46 1.39 -4.73 -1.43 9.92 -0.67 -4.88 116.55 114.69 1xgj n ASP 242 Ca 0.00 -1.27 -0.39 0.00 -0.53 0.00 0.00 54.79 52.59 1xgj n ASP 242 Cb 0.01 0.07 -0.05 0.00 -0.64 0.00 0.00 41.12 40.50 1xgj n ASP 242 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1xgj s ILE 243 N -2.22 4.95 0.03 0.53 1.01 0.93 -4.99 121.20 121.45 1xgj s ILE 243 Ca 0.31 1.41 -0.24 0.00 0.00 0.00 0.00 60.65 62.13 1xgj s ILE 243 Cb 0.20 -4.02 -0.17 0.00 0.01 0.00 0.00 42.46 38.48 1xgj s ILE 243 CO 0.42 0.32 1.49 0.78 0.00 0.00 0.00 174.94 177.95 1xgj h ASN 244 N 6.24 0.02 -2.02 3.58 2.35 -1.89 -3.42 115.58 120.43 1xgj h ASN 244 Ca -0.43 -0.26 -0.59 0.00 -0.55 0.00 0.00 56.30 54.48 1xgj h ASN 244 Cb 1.20 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1xgj h ASN 244 CO 0.73 0.27 1.48 -0.70 -1.65 0.00 0.00 177.43 177.56 1xgj s GLU 245 N -5.17 3.17 0.15 0.81 2.12 -1.26 -4.88 118.70 113.64 1xgj s GLU 245 Ca -0.14 2.05 -0.16 0.00 0.36 0.00 0.00 54.97 57.07 1xgj s GLU 245 Cb 0.04 -4.36 0.02 0.00 0.26 0.00 0.00 34.13 30.09 1xgj s GLU 245 CO 0.67 -2.06 1.79 1.57 -0.54 0.00 0.00 175.26 176.70 1xgj h LYS 246 N 14.85 0.43 -0.16 4.30 2.10 -2.00 -0.01 116.57 136.09 1xgj h LYS 246 Ca -0.41 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.10 1xgj h LYS 246 Cb 1.24 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 1xgj h LYS 246 CO 0.96 0.28 -0.37 1.79 -2.00 0.00 0.00 179.45 180.11 1xgj h THR 247 N 0.44 1.29 -0.30 0.07 1.35 -1.91 -1.74 112.91 112.13 1xgj h THR 247 Ca 0.14 -1.45 -0.09 0.00 -0.55 0.00 0.00 66.41 64.46 1xgj h THR 247 Cb 0.00 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 1xgj h THR 247 CO -0.07 0.44 -0.17 0.25 -0.25 0.00 0.00 175.52 175.73 1xgj h LEU 248 N 0.28 0.66 -0.29 3.87 5.85 -1.81 0.20 115.31 124.07 1xgj h LEU 248 Ca 0.03 -0.42 0.04 0.00 0.84 0.00 0.00 57.88 58.37 1xgj h LEU 248 Cb 0.79 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1xgj h LEU 248 CO 0.06 0.94 0.06 -0.61 -0.34 0.00 0.00 178.44 178.55 1xgj h GLN 249 N 0.38 0.16 -0.37 1.25 4.15 -0.86 -1.15 115.11 118.68 1xgj h GLN 249 Ca 0.06 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.35 1xgj h GLN 249 Cb 0.70 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1xgj h GLN 249 CO 0.05 0.11 -0.27 0.37 -1.93 0.00 0.00 178.83 177.16 1xgj h GLN 250 N 0.17 0.76 -0.69 1.69 4.15 -1.20 -2.68 115.11 117.31 1xgj h GLN 250 Ca 0.14 -0.33 0.02 0.00 0.77 0.00 0.00 58.65 59.25 1xgj h GLN 250 Cb 0.14 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 1xgj h GLN 250 CO -0.18 0.94 0.46 0.78 -1.93 0.00 0.00 178.83 178.90 1xgj h GLY 251 N 0.96 0.96 0.81 2.39 0.00 0.02 0.31 103.07 108.51 1xgj h GLY 251 Ca 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1xgj h GLY 251 CO 0.06 0.32 -0.01 -2.22 0.00 0.00 0.00 176.54 174.69 1xgj h ILE 252 N 0.88 1.26 -0.41 2.60 2.04 -1.06 -2.05 117.51 120.78 1xgj h ILE 252 Ca 0.26 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1xgj h ILE 252 Cb -0.02 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1xgj h ILE 252 CO -0.07 0.28 0.14 1.56 0.00 0.00 0.00 178.15 180.06 1xgj h GLN 253 N 0.09 0.58 -0.30 2.37 4.20 -1.07 -2.26 115.11 118.73 1xgj h GLN 253 Ca 0.05 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 1xgj h GLN 253 Cb 0.42 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1xgj h GLN 253 CO 0.01 0.50 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.37 1xgj h LEU 254 N 0.58 0.58 -1.36 1.46 3.38 -0.77 -2.61 115.31 116.56 1xgj h LEU 254 Ca 0.14 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1xgj h LEU 254 Cb 0.15 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1xgj h LEU 254 CO -0.01 0.81 -0.15 0.00 0.09 0.00 0.00 178.44 179.18 1xgj h ALA 255 N 1.24 1.06 -0.45 1.53 0.00 -0.78 -2.31 119.26 119.54 1xgj h ALA 255 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xgj h ALA 255 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xgj h ALA 255 CO 0.05 0.19 0.00 1.04 0.00 0.00 0.00 179.25 180.53 1xgj n GLN 256 N -3.35 2.45 -2.30 0.00 6.02 -1.05 -0.84 117.38 118.31 1xgj n GLN 256 Ca -0.00 -2.21 -0.33 0.00 -0.01 0.00 0.00 57.00 54.45 1xgj n GLN 256 Cb 0.36 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 30.10 1xgj n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1xgj s SER 257 N -1.36 6.09 -0.51 1.08 0.01 -0.87 -3.84 113.70 114.30 1xgj s SER 257 Ca 0.40 1.86 -0.18 0.00 1.31 0.00 0.00 55.95 59.34 1xgj s SER 257 Cb 0.22 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.98 1xgj s SER 257 CO 0.31 -0.96 0.56 -0.13 0.41 0.00 0.00 173.24 173.43 1xgj s ARG 258 N -3.68 3.06 -0.06 12.44 0.52 0.23 -4.07 118.95 127.39 1xgj s ARG 258 Ca 0.65 -1.11 0.08 0.00 -0.52 0.00 0.00 55.73 54.83 1xgj s ARG 258 Cb -0.16 -4.13 -0.24 0.00 0.52 0.00 0.00 34.95 30.94 1xgj s ARG 258 CO 0.29 -1.20 0.59 0.66 0.02 0.00 0.00 175.30 175.66 1xgj n TYR 259 N 5.85 1.06 -3.92 -0.53 4.01 -0.64 -2.53 117.16 120.46 1xgj n TYR 259 Ca -0.09 0.34 -0.09 0.00 -0.16 0.00 0.00 57.90 57.90 1xgj n TYR 259 Cb 0.44 -1.18 -0.09 0.00 -0.31 0.00 0.00 39.34 38.21 1xgj n TYR 259 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1xgj s TRP 260 N -2.59 0.22 -0.03 -0.72 0.52 -1.24 -1.69 118.94 113.41 1xgj s TRP 260 Ca -0.09 -0.59 0.04 0.00 0.02 0.00 0.00 56.10 55.48 1xgj s TRP 260 Cb 0.08 -0.14 -0.00 0.00 -1.15 0.00 0.00 33.47 32.25 1xgj s TRP 260 CO 0.81 -0.44 -0.14 -1.14 0.02 0.00 0.00 176.95 176.07 1xgj s GLN 261 N -3.27 1.31 -0.19 4.98 0.74 0.09 -1.21 119.66 122.11 1xgj s GLN 261 Ca 0.01 -0.48 -0.04 0.00 0.05 0.00 0.00 55.36 54.89 1xgj s GLN 261 Cb 0.03 -1.20 0.08 0.00 1.10 0.00 0.00 33.01 33.01 1xgj s GLN 261 CO -0.08 0.22 0.14 -0.08 -0.55 0.00 0.00 175.29 174.95 1xgj s THR 262 N -0.04 -0.18 0.00 -0.34 -1.32 -0.58 -0.76 115.64 112.43 1xgj s THR 262 Ca -0.00 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 1xgj s THR 262 Cb -0.09 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 1xgj s THR 262 CO 0.01 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 1xgj n GLY 263 N 5.29 2.24 0.30 6.08 0.00 -1.26 -1.70 105.19 116.14 1xgj n GLY 263 Ca -0.06 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.70 1xgj n GLY 263 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xgj n ASP 264 N 4.82 1.05 -4.89 1.61 8.00 -1.26 -4.91 116.55 120.96 1xgj n ASP 264 Ca 0.00 -1.07 -0.32 0.00 0.71 0.00 0.00 54.79 54.11 1xgj n ASP 264 Cb 0.00 0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 1xgj n ASP 264 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xgj s MET 265 N -2.28 3.59 -0.05 -1.24 0.23 -0.69 -4.42 119.30 114.45 1xgj s MET 265 Ca 0.31 -0.12 0.06 0.00 -1.03 0.00 0.00 55.69 54.91 1xgj s MET 265 Cb 0.20 -2.95 -0.01 0.00 -1.53 0.00 0.00 34.83 30.54 1xgj s MET 265 CO 0.43 0.55 -0.23 0.71 -2.03 0.00 0.00 175.02 174.45 1xgj s TYR 266 N -1.52 2.22 -0.25 3.16 2.02 0.13 -1.52 117.35 121.60 1xgj s TYR 266 Ca 0.36 -0.62 -0.14 0.00 -0.37 0.00 0.00 57.07 56.30 1xgj s TYR 266 Cb -0.13 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 1xgj s TYR 266 CO 0.22 -0.17 0.31 -1.14 -1.57 0.00 0.00 175.55 173.20 1xgj s GLN 267 N -0.19 4.06 0.00 -0.62 2.00 -0.35 -0.98 119.66 123.59 1xgj s GLN 267 Ca -0.01 -0.02 0.00 0.00 -2.00 0.00 0.00 55.36 53.32 1xgj s GLN 267 Cb -0.12 -3.60 0.00 0.00 0.80 0.00 0.00 33.01 30.09 1xgj s GLN 267 CO 0.03 -0.13 0.00 0.41 -0.50 0.00 0.00 175.29 175.10 1xgj n GLY 268 N 4.43 2.75 3.41 2.59 0.00 0.34 -1.61 105.19 117.10 1xgj n GLY 268 Ca -0.10 -1.99 -0.44 0.00 0.00 0.00 0.00 46.02 43.48 1xgj n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xgj s LEU 269 N 0.00 5.31 0.00 0.99 1.43 -0.02 -4.56 118.68 121.84 1xgj s LEU 269 Ca 0.00 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 1xgj s LEU 269 Cb 0.00 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1xgj s LEU 269 CO 0.00 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 176.39 1xgj n GLY 270 N 5.19 1.88 3.76 -3.19 0.00 -1.26 -4.35 105.19 107.22 1xgj n GLY 270 Ca -0.09 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1xgj n GLY 270 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xgj s TRP 271 N 0.00 2.52 0.02 1.61 0.52 -1.26 -4.63 118.94 117.71 1xgj s TRP 271 Ca 0.00 1.56 0.06 0.00 0.02 0.00 0.00 56.10 57.74 1xgj s TRP 271 Cb 0.00 -3.24 -0.02 0.00 -1.15 0.00 0.00 33.47 29.06 1xgj s TRP 271 CO 0.00 -1.85 -0.17 -1.21 0.02 0.00 0.00 176.95 173.74 1xgj s GLU 272 N -3.96 1.25 0.11 4.98 2.02 -1.02 -0.51 118.70 121.58 1xgj s GLU 272 Ca 0.69 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.98 1xgj s GLU 272 Cb -0.23 -1.26 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 1xgj s GLU 272 CO 0.40 0.33 -0.09 -1.64 0.02 0.00 0.00 175.26 174.29 1xgj s MET 273 N -0.80 0.90 0.01 1.61 -1.94 -0.15 -0.73 119.30 118.20 1xgj s MET 273 Ca 0.05 -1.29 -0.02 0.00 -1.71 0.00 0.00 55.69 52.72 1xgj s MET 273 Cb -0.07 -0.45 -0.01 0.00 2.01 0.00 0.00 34.83 36.30 1xgj s MET 273 CO 0.01 0.05 0.03 -0.51 -0.01 0.00 0.00 175.02 174.58 1xgj s LEU 274 N -2.81 2.01 0.38 -0.03 1.02 -0.76 0.19 118.68 118.68 1xgj s LEU 274 Ca 0.10 -0.41 -0.27 0.00 0.02 0.00 0.00 54.13 53.58 1xgj s LEU 274 Cb 0.01 0.29 -0.09 0.00 0.02 0.00 0.00 46.19 46.42 1xgj s LEU 274 CO -0.01 -0.33 1.32 -1.81 0.02 0.00 0.00 176.35 175.54 1xgj s ASP 275 N -1.44 6.47 -0.10 2.29 1.01 -1.26 -0.26 116.67 123.37 1xgj s ASP 275 Ca -0.16 2.71 -0.03 0.00 0.71 0.00 0.00 52.55 55.78 1xgj s ASP 275 Cb -0.09 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 1xgj s ASP 275 CO -0.00 -0.75 0.04 0.86 0.21 0.00 0.00 175.17 175.53 1xgj s TRP 276 N -1.21 3.26 0.61 4.23 -0.11 -0.60 -3.43 118.94 121.69 1xgj s TRP 276 Ca 0.54 0.24 -0.17 0.00 1.22 0.00 0.00 56.10 57.93 1xgj s TRP 276 Cb -0.39 -1.85 -0.02 0.00 -1.50 0.00 0.00 33.47 29.70 1xgj s TRP 276 CO 0.52 0.49 1.13 -1.25 -4.62 0.00 0.00 176.95 173.21 1xgj s PRO 277 N -0.78 3.01 0.31 5.86 0.04 -1.26 -4.70 135.00 137.48 1xgj s PRO 277 Ca 0.12 1.51 0.10 0.00 0.04 0.00 0.00 61.00 62.77 1xgj s PRO 277 Cb -0.12 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1xgj s PRO 277 CO 0.02 -1.11 -0.03 0.14 0.04 0.00 0.00 177.00 176.06 1xgj s VAL 278 N -2.06 2.78 -0.25 -0.36 -7.23 -1.22 -5.08 120.40 106.97 1xgj s VAL 278 Ca 0.70 -2.05 -0.19 0.00 -1.81 0.00 0.00 61.98 58.63 1xgj s VAL 278 Cb -0.23 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 1xgj s VAL 278 CO 0.35 -0.28 0.56 0.54 -0.31 0.00 0.00 175.10 175.97 1xgj s ASN 279 N -3.67 6.51 0.47 4.85 6.03 -1.26 -4.92 114.94 122.95 1xgj s ASN 279 Ca 0.33 0.62 0.23 0.00 -1.03 0.00 0.00 52.86 53.01 1xgj s ASN 279 Cb -0.02 -2.31 1.26 0.00 -3.03 0.00 0.00 41.25 37.14 1xgj s ASN 279 CO 0.19 -0.31 1.90 1.55 -2.03 0.00 0.00 177.10 178.39 1xgj h PRO 280 N 7.91 0.21 -0.61 3.55 0.13 -1.98 0.27 132.00 141.49 1xgj h PRO 280 Ca -0.28 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1xgj h PRO 280 Cb 1.13 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1xgj h PRO 280 CO 0.74 0.14 0.38 -0.44 -0.23 0.00 0.00 178.00 178.59 1xgj h ASP 281 N 0.21 0.71 1.40 1.44 3.32 -2.01 -2.11 116.42 119.38 1xgj h ASP 281 Ca 0.41 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.37 1xgj h ASP 281 Cb 1.27 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1xgj h ASP 281 CO -0.09 0.54 -0.30 0.77 -1.72 0.00 0.00 179.24 178.44 1xgj h SER 282 N 0.83 0.00 0.00 6.45 4.64 -0.86 -3.55 113.55 121.07 1xgj h SER 282 Ca 0.22 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.39 1xgj h SER 282 Cb -0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1xgj h SER 282 CO -0.04 0.30 1.30 -0.38 -0.87 0.00 0.00 176.83 177.14 1xgj n ILE 283 N -3.25 1.13 -0.06 0.95 5.41 -0.80 -4.97 119.36 117.78 1xgj n ILE 283 Ca 0.02 -0.65 0.00 0.00 1.00 0.00 0.00 62.75 63.12 1xgj n ILE 283 Cb 0.58 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 1xgj n ILE 283 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1xgj n ILE 291 N 4.00 -0.33 0.18 1.39 2.08 -1.26 -5.03 119.36 120.40 1xgj n ILE 291 Ca 0.20 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.55 1xgj n ILE 291 Cb 0.14 -0.33 0.33 0.00 -0.75 0.00 0.00 39.64 39.03 1xgj n ILE 291 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1xgj h ALA 292 N 0.00 1.07 -2.55 -1.39 0.00 -2.09 -3.43 119.26 110.88 1xgj h ALA 292 Ca 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1xgj h ALA 292 Cb 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 17.44 1xgj h ALA 292 CO 0.00 0.51 -0.42 -1.17 0.00 0.00 0.00 179.25 178.18 1xgj s LEU 293 N -7.36 -0.56 -0.24 0.00 2.96 -1.26 -5.04 118.68 107.17 1xgj s LEU 293 Ca -0.01 0.84 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 1xgj s LEU 293 Cb 0.12 1.18 0.07 0.00 0.50 0.00 0.00 46.19 48.05 1xgj s LEU 293 CO 0.70 -0.24 -0.02 0.00 -1.32 0.00 0.00 176.35 175.47 1xgj s ALA 294 N 2.56 1.81 -0.16 5.97 0.00 -1.26 -5.10 121.76 125.59 1xgj s ALA 294 Ca 0.00 -1.34 -0.23 0.00 0.00 0.00 0.00 51.96 50.40 1xgj s ALA 294 Cb -0.12 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 1xgj s ALA 294 CO -0.12 -1.26 0.70 0.00 0.00 0.00 0.00 175.76 175.07 1xgj s ALA 295 N 1.47 3.49 -0.06 0.00 0.00 -1.26 -4.56 121.76 120.83 1xgj s ALA 295 Ca -0.03 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1xgj s ALA 295 Cb -0.18 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1xgj s ALA 295 CO -0.08 -0.47 -0.09 1.03 0.00 0.00 0.00 175.76 176.15 1xgj s ARG 296 N 1.70 1.35 0.49 0.00 0.52 -0.72 -4.98 118.95 117.31 1xgj s ARG 296 Ca 0.33 -0.27 -0.23 0.00 -0.52 0.00 0.00 55.73 55.04 1xgj s ARG 296 Cb -0.16 -1.23 -0.07 0.00 0.52 0.00 0.00 34.95 34.01 1xgj s ARG 296 CO 0.13 -0.06 1.34 -2.14 0.02 0.00 0.00 175.30 174.59 1xgj s PRO 297 N 0.93 3.48 0.12 3.54 0.02 -1.26 -0.56 135.00 141.27 1xgj s PRO 297 Ca -0.10 2.21 0.10 0.00 0.02 0.00 0.00 61.00 63.23 1xgj s PRO 297 Cb -0.15 -2.45 -0.04 0.00 0.02 0.00 0.00 34.50 31.88 1xgj s PRO 297 CO 0.01 -0.91 -0.25 0.14 -0.33 0.00 0.00 177.00 175.66 1xgj s VAL 298 N -1.30 2.10 -0.18 3.83 -7.23 -0.88 -4.69 120.40 112.05 1xgj s VAL 298 Ca 0.66 -1.71 -0.08 0.00 -1.81 0.00 0.00 61.98 59.03 1xgj s VAL 298 Cb -0.39 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1xgj s VAL 298 CO 0.48 0.03 0.08 -0.75 -0.31 0.00 0.00 175.10 174.64 1xgj s LYS 299 N -2.05 4.00 0.32 4.82 2.47 0.06 -4.81 119.74 124.56 1xgj s LYS 299 Ca 0.12 -0.30 -0.27 0.00 -1.56 0.00 0.00 55.97 53.96 1xgj s LYS 299 Cb -0.10 -3.27 -0.09 0.00 -1.46 0.00 0.00 37.83 32.91 1xgj s LYS 299 CO 0.06 0.32 1.00 0.00 0.16 0.00 0.00 175.35 176.88 1xgj s ALA 300 N 0.27 3.25 -0.42 3.13 0.00 -1.26 -0.73 121.76 125.99 1xgj s ALA 300 Ca 0.05 0.67 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 1xgj s ALA 300 Cb -0.12 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.81 1xgj s ALA 300 CO -0.00 0.02 0.30 0.42 0.00 0.00 0.00 175.76 176.49 1xgj s ILE 301 N -1.44 4.84 -0.30 0.00 1.01 -0.68 -4.89 121.20 119.73 1xgj s ILE 301 Ca 0.49 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1xgj s ILE 301 Cb -0.24 -3.82 0.07 0.00 0.01 0.00 0.00 42.46 38.48 1xgj s ILE 301 CO 0.30 -0.43 -0.03 -0.89 0.00 0.00 0.00 174.94 173.90 1xgj s THR 302 N 1.58 2.46 0.66 2.92 2.01 -1.26 -1.91 115.64 122.10 1xgj s THR 302 Ca 0.03 -1.77 -0.06 0.00 0.31 0.00 0.00 61.69 60.20 1xgj s THR 302 Cb -0.22 -2.54 0.04 0.00 0.01 0.00 0.00 72.50 69.79 1xgj s THR 302 CO 0.06 -0.23 0.96 -2.16 -0.69 0.00 0.00 174.62 172.57 1xgj s PRO 303 N 1.09 2.44 0.35 4.92 0.04 -1.26 -5.09 135.00 137.49 1xgj s PRO 303 Ca -0.02 -0.23 -0.27 0.00 0.04 0.00 0.00 61.00 60.52 1xgj s PRO 303 Cb -0.20 -2.23 -0.12 0.00 0.04 0.00 0.00 34.50 31.99 1xgj s PRO 303 CO -0.05 -1.04 1.14 -2.30 0.04 0.00 0.00 177.00 174.80 1xgj n PRO 304 N -2.77 1.71 -2.71 0.56 -0.02 -0.80 -4.94 135.00 126.03 1xgj n PRO 304 Ca 0.07 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1xgj n PRO 304 Cb 0.60 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 1xgj n PRO 304 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xgj s THR 305 N -1.13 4.70 0.71 3.45 2.01 -1.05 -4.84 115.64 119.48 1xgj s THR 305 Ca 0.58 2.05 -0.14 0.00 0.31 0.00 0.00 61.69 64.50 1xgj s THR 305 Cb -0.60 -4.31 0.03 0.00 0.01 0.00 0.00 72.50 67.62 1xgj s THR 305 CO 0.60 0.22 1.12 -2.84 -0.69 0.00 0.00 174.62 173.04 1xgj s PRO 306 N 0.58 2.49 -0.39 4.92 0.02 -1.26 -0.60 135.00 140.75 1xgj s PRO 306 Ca 0.50 1.42 -0.37 0.00 0.02 0.00 0.00 61.00 62.57 1xgj s PRO 306 Cb -0.22 -1.91 -0.16 0.00 0.02 0.00 0.00 34.50 32.23 1xgj s PRO 306 CO 0.29 -1.50 1.30 0.00 -0.33 0.00 0.00 177.00 176.75 1xgj n ALA 307 N -2.78 -0.96 -2.62 -1.55 0.00 -1.25 -4.74 120.51 106.61 1xgj n ALA 307 Ca 0.11 0.37 -0.39 0.00 0.00 0.00 0.00 53.44 53.53 1xgj n ALA 307 Cb 0.52 -1.52 -0.09 0.00 0.00 0.00 0.00 19.45 18.36 1xgj n ALA 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xgj s VAL 308 N 2.57 5.16 0.36 0.00 1.01 -1.26 -4.97 120.40 123.26 1xgj s VAL 308 Ca 0.84 0.64 0.03 0.00 0.00 0.00 0.00 61.98 63.48 1xgj s VAL 308 Cb -1.18 -3.72 0.25 0.00 0.00 0.00 0.00 36.38 31.73 1xgj s VAL 308 CO 0.63 0.16 2.01 0.03 0.00 0.00 0.00 175.10 177.93 1xgj h ARG 309 N 8.02 0.75 -4.35 2.72 2.47 -1.97 -3.21 114.38 118.80 1xgj h ARG 309 Ca -0.32 -0.06 -0.73 0.00 -1.26 0.00 0.00 59.98 57.61 1xgj h ARG 309 Cb 1.16 -0.16 -0.13 0.00 -1.65 0.00 0.00 29.97 29.19 1xgj h ARG 309 CO 0.67 0.52 2.03 0.00 0.56 0.00 0.00 179.97 183.74 1xgj n ALA 310 N -2.45 4.65 -2.55 0.04 0.00 -1.26 -0.90 120.51 118.03 1xgj n ALA 310 Ca 0.05 -4.15 -0.09 0.00 0.00 0.00 0.00 53.44 49.26 1xgj n ALA 310 Cb 0.07 -3.19 -0.09 0.00 0.00 0.00 0.00 19.45 16.23 1xgj n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xgj s SER 311 N 2.39 0.23 -0.37 0.00 0.01 -1.22 -1.56 113.70 113.17 1xgj s SER 311 Ca 0.44 -0.66 -0.10 0.00 1.31 0.00 0.00 55.95 56.94 1xgj s SER 311 Cb 0.06 0.25 0.03 0.00 0.21 0.00 0.00 66.02 66.57 1xgj s SER 311 CO 0.00 -0.59 0.19 0.86 0.41 0.00 0.00 173.24 174.11 1xgj s TRP 312 N -3.22 3.25 -0.20 2.43 -0.11 0.64 -4.09 118.94 117.64 1xgj s TRP 312 Ca 0.00 -1.09 -0.08 0.00 1.22 0.00 0.00 56.10 56.15 1xgj s TRP 312 Cb 0.02 -2.43 -0.04 0.00 -1.50 0.00 0.00 33.47 29.52 1xgj s TRP 312 CO -0.07 -0.68 0.08 0.08 -4.62 0.00 0.00 176.95 171.74 1xgj s VAL 313 N 1.52 4.90 0.31 5.86 1.01 0.24 -1.84 120.40 132.40 1xgj s VAL 313 Ca 0.01 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 1xgj s VAL 313 Cb -0.19 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 32.97 1xgj s VAL 313 CO 0.06 0.43 0.57 -1.38 0.00 0.00 0.00 175.10 174.78 1xgj s HIS 314 N 0.56 0.47 -0.28 5.22 -3.43 0.09 -1.00 115.29 116.92 1xgj s HIS 314 Ca 0.04 -0.88 -0.16 0.00 -0.80 0.00 0.00 55.06 53.27 1xgj s HIS 314 Cb -0.13 0.30 0.11 0.00 -1.43 0.00 0.00 32.58 31.44 1xgj s HIS 314 CO 0.01 -1.20 0.84 0.21 -2.00 0.00 0.00 174.74 172.60 1xgj s LYS 315 N -3.31 0.53 0.30 -0.38 2.47 -0.56 -2.42 119.74 116.36 1xgj s LYS 315 Ca 0.22 0.92 0.01 0.00 -1.56 0.00 0.00 55.97 55.57 1xgj s LYS 315 Cb -0.02 0.11 -0.03 0.00 -1.46 0.00 0.00 37.83 36.42 1xgj s LYS 315 CO 0.13 -0.11 0.48 0.95 0.16 0.00 0.00 175.35 176.95 1xgj s THR 316 N 1.48 5.16 -0.08 3.43 -4.23 -1.26 -2.14 115.64 117.99 1xgj s THR 316 Ca -0.09 -0.57 -0.24 0.00 -1.18 0.00 0.00 61.69 59.61 1xgj s THR 316 Cb -0.04 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 70.01 1xgj s THR 316 CO -0.17 -0.44 0.55 -0.83 -0.54 0.00 0.00 174.62 173.19 1xgj s GLY 317 N -3.87 -0.43 0.15 3.99 0.00 -0.25 -3.75 107.32 103.17 1xgj s GLY 317 Ca 0.38 1.11 -0.14 0.00 0.00 0.00 0.00 44.72 46.07 1xgj s GLY 317 CO 0.33 0.82 0.40 0.00 0.00 0.00 0.00 173.10 174.65 1xgj s ALA 318 N -0.90 -0.67 0.31 3.20 0.00 -1.26 -0.05 121.76 122.39 1xgj s ALA 318 Ca -0.09 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.57 1xgj s ALA 318 Cb -0.02 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 1xgj s ALA 318 CO 0.06 -0.69 0.27 0.95 0.00 0.00 0.00 175.76 176.35 1xgj s THR 319 N -3.87 0.00 0.35 0.00 -4.23 -0.83 -3.87 115.64 103.19 1xgj s THR 319 Ca 0.08 -1.96 0.09 0.00 -1.18 0.00 0.00 61.69 58.72 1xgj s THR 319 Cb 0.01 -2.51 0.33 0.00 1.34 0.00 0.00 72.50 71.67 1xgj s THR 319 CO -0.06 0.00 1.83 1.23 -0.54 0.00 0.00 174.62 177.08 1xgj h GLY 320 N 2.23 1.34 -0.52 3.99 0.00 -1.96 -3.02 103.07 105.12 1xgj h GLY 320 Ca -0.27 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1xgj h GLY 320 CO 0.40 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.58 1xgj n GLY 321 N -1.42 2.05 3.21 4.60 0.00 -1.26 -4.52 105.19 107.85 1xgj n GLY 321 Ca 0.20 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1xgj n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xgj s PHE 322 N -0.87 1.09 -0.11 1.61 0.40 -1.14 -1.21 117.98 117.75 1xgj s PHE 322 Ca 0.09 -0.80 -0.04 0.00 -0.60 0.00 0.00 56.93 55.58 1xgj s PHE 322 Cb 0.05 -0.59 0.06 0.00 0.51 0.00 0.00 43.02 43.05 1xgj s PHE 322 CO 0.07 -0.02 0.22 0.20 0.70 0.00 0.00 175.22 176.39 1xgj s GLY 323 N -3.02 -0.05 0.23 4.36 0.00 -0.62 -1.96 107.32 106.25 1xgj s GLY 323 Ca 0.13 0.79 0.08 0.00 0.00 0.00 0.00 44.72 45.72 1xgj s GLY 323 CO -0.02 1.77 -0.14 -0.56 0.00 0.00 0.00 173.10 174.16 1xgj s SER 324 N 2.24 2.78 -0.25 1.64 0.01 0.92 -1.54 113.70 119.50 1xgj s SER 324 Ca 0.01 -1.06 -0.19 0.00 1.31 0.00 0.00 55.95 56.03 1xgj s SER 324 Cb -0.12 -0.17 0.07 0.00 0.21 0.00 0.00 66.02 66.01 1xgj s SER 324 CO -0.07 -0.17 0.65 -0.47 0.41 0.00 0.00 173.24 173.59 1xgj s TYR 325 N -2.90 -0.86 -0.02 2.43 5.04 -0.56 -1.09 117.35 119.39 1xgj s TYR 325 Ca 0.25 1.88 0.03 0.00 -2.44 0.00 0.00 57.07 56.79 1xgj s TYR 325 Cb -0.01 0.42 -0.00 0.00 0.35 0.00 0.00 41.96 42.72 1xgj s TYR 325 CO 0.09 -0.43 -0.09 0.08 -1.34 0.00 0.00 175.55 173.86 1xgj s VAL 326 N 1.00 0.76 -0.11 3.14 1.01 -0.91 -0.86 120.40 124.42 1xgj s VAL 326 Ca -0.05 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1xgj s VAL 326 Cb -0.05 -0.66 0.05 0.00 0.00 0.00 0.00 36.38 35.72 1xgj s VAL 326 CO -0.09 0.23 0.48 0.00 0.00 0.00 0.00 175.10 175.72 1xgj s ALA 327 N -0.04 -1.22 0.14 5.51 0.00 -0.68 -1.50 121.76 123.96 1xgj s ALA 327 Ca 0.01 1.10 -0.19 0.00 0.00 0.00 0.00 51.96 52.88 1xgj s ALA 327 Cb -0.06 -0.42 0.05 0.00 0.00 0.00 0.00 23.12 22.69 1xgj s ALA 327 CO -0.00 -0.27 0.48 -0.59 0.00 0.00 0.00 175.76 175.38 1xgj s PHE 328 N -0.44 -0.33 -0.34 0.00 -0.71 -0.17 -0.31 117.98 115.68 1xgj s PHE 328 Ca -0.06 0.06 0.01 0.00 -1.04 0.00 0.00 56.93 55.91 1xgj s PHE 328 Cb -0.03 0.37 0.10 0.00 -1.21 0.00 0.00 43.02 42.25 1xgj s PHE 328 CO 0.03 -0.75 0.10 0.42 -1.34 0.00 0.00 175.22 173.68 1xgj s ILE 329 N -3.74 1.43 0.20 -4.49 1.01 0.10 -0.60 121.20 115.11 1xgj s ILE 329 Ca 0.02 -1.85 -0.18 0.00 0.00 0.00 0.00 60.65 58.64 1xgj s ILE 329 Cb 0.01 -2.06 0.17 0.00 0.01 0.00 0.00 42.46 40.59 1xgj s ILE 329 CO -0.12 -0.67 1.59 -0.65 0.00 0.00 0.00 174.94 175.09 1xgj h PRO 330 N 7.78 -0.11 -0.43 2.79 0.11 -1.71 -0.86 132.00 139.59 1xgj h PRO 330 Ca -0.09 0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.15 1xgj h PRO 330 Cb 1.01 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1xgj h PRO 330 CO 0.49 -0.07 0.47 1.49 -0.21 0.00 0.00 178.00 180.17 1xgj h GLU 331 N -0.11 0.00 -0.08 1.05 4.81 -1.33 -1.53 114.58 117.39 1xgj h GLU 331 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1xgj h GLU 331 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1xgj h GLU 331 CO -0.69 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.22 1xgj n LYS 332 N -3.70 1.19 -3.86 1.92 4.76 -0.37 -4.97 118.16 113.13 1xgj n LYS 332 Ca 0.08 -1.44 -0.30 0.00 -2.87 0.00 0.00 58.31 53.77 1xgj n LYS 332 Cb 0.65 -1.27 0.02 0.00 -1.84 0.00 0.00 35.03 32.58 1xgj n LYS 332 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1xgj n GLU 333 N 0.77 -4.92 -5.09 1.97 1.02 -0.58 -4.54 120.64 109.28 1xgj n GLU 333 Ca 0.09 0.56 -0.28 0.00 -0.02 0.00 0.00 57.16 57.51 1xgj n GLU 333 Cb 0.36 -5.41 -0.16 0.00 -0.02 0.00 0.00 31.44 26.21 1xgj n GLU 333 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1xgj s LEU 334 N -7.17 2.04 0.16 -4.62 2.96 -1.17 -2.34 118.68 108.54 1xgj s LEU 334 Ca 0.64 -0.40 -0.25 0.00 -0.22 0.00 0.00 54.13 53.90 1xgj s LEU 334 Cb -0.32 -1.13 0.06 0.00 0.50 0.00 0.00 46.19 45.29 1xgj s LEU 334 CO 0.78 0.27 0.92 -0.83 -1.32 0.00 0.00 176.35 176.17 1xgj s GLY 335 N -0.50 -0.24 -0.04 7.98 0.00 -0.62 0.03 107.32 113.93 1xgj s GLY 335 Ca 0.08 0.13 -0.18 0.00 0.00 0.00 0.00 44.72 44.75 1xgj s GLY 335 CO -0.01 0.02 0.40 -1.50 0.00 0.00 0.00 173.10 172.01 1xgj s ILE 336 N -3.36 0.04 -0.05 0.90 2.07 0.57 -0.83 121.20 120.55 1xgj s ILE 336 Ca 0.11 -0.32 0.02 0.00 -1.41 0.00 0.00 60.65 59.05 1xgj s ILE 336 Cb -0.02 -0.69 0.01 0.00 0.13 0.00 0.00 42.46 41.90 1xgj s ILE 336 CO 0.02 -0.18 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.10 1xgj s VAL 337 N -1.10 0.79 -0.14 4.00 1.01 -0.30 -1.69 120.40 122.96 1xgj s VAL 337 Ca -0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 1xgj s VAL 337 Cb -0.04 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.63 1xgj s VAL 337 CO 0.05 0.27 -0.07 -0.04 0.00 0.00 0.00 175.10 175.31 1xgj s MET 338 N 0.64 1.53 -0.15 2.72 -1.94 -0.04 -1.59 119.30 120.47 1xgj s MET 338 Ca -0.11 -0.41 0.02 0.00 -1.71 0.00 0.00 55.69 53.49 1xgj s MET 338 Cb -0.13 -1.84 0.01 0.00 2.01 0.00 0.00 34.83 34.88 1xgj s MET 338 CO 0.01 -0.35 -0.21 -0.51 -0.01 0.00 0.00 175.02 173.95 1xgj s LEU 339 N 1.65 2.10 0.07 -0.03 1.43 -0.35 -1.50 118.68 122.06 1xgj s LEU 339 Ca 0.03 -0.61 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 1xgj s LEU 339 Cb -0.14 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1xgj s LEU 339 CO -0.08 0.06 -0.14 0.00 0.23 0.00 0.00 176.35 176.42 1xgj s ALA 340 N 0.92 1.13 -0.82 4.21 0.00 -0.59 -1.26 121.76 125.35 1xgj s ALA 340 Ca -0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 1xgj s ALA 340 Cb -0.15 -0.09 0.37 0.00 0.00 0.00 0.00 23.12 23.24 1xgj s ALA 340 CO -0.04 0.16 2.03 0.27 0.00 0.00 0.00 175.76 178.18 1xgj n ASN 341 N 1.32 7.57 -3.65 0.00 6.94 -1.03 -1.59 115.26 124.82 1xgj n ASN 341 Ca -0.21 -3.83 -0.07 0.00 -0.02 0.00 0.00 54.58 50.44 1xgj n ASN 341 Cb 0.54 -1.06 -0.07 0.00 -2.36 0.00 0.00 39.78 36.83 1xgj n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1xgj s LYS 342 N -4.03 0.67 -0.55 -3.83 2.47 -0.35 -1.74 119.74 112.38 1xgj s LYS 342 Ca 0.54 1.18 -0.26 0.00 -1.56 0.00 0.00 55.97 55.87 1xgj s LYS 342 Cb 0.45 0.12 0.04 0.00 -1.46 0.00 0.00 37.83 36.98 1xgj s LYS 342 CO -0.35 -0.15 1.01 1.21 0.16 0.00 0.00 175.35 177.23 1xgj s ASN 343 N 1.61 6.39 0.32 1.43 2.47 -1.25 -2.61 114.94 123.31 1xgj s ASN 343 Ca -0.10 -0.16 0.10 0.00 0.42 0.00 0.00 52.86 53.12 1xgj s ASN 343 Cb -0.05 -2.47 -0.06 0.00 -1.45 0.00 0.00 41.25 37.22 1xgj s ASN 343 CO -0.19 -1.28 -0.09 -0.72 -3.72 0.00 0.00 177.10 171.10 1xgj s TYR 344 N 4.22 2.43 -0.10 0.43 -0.85 -1.26 -4.95 117.35 117.27 1xgj s TYR 344 Ca 0.35 -0.43 -0.40 0.00 -0.52 0.00 0.00 57.07 56.07 1xgj s TYR 344 Cb -0.11 -1.30 -0.18 0.00 0.38 0.00 0.00 41.96 40.75 1xgj s TYR 344 CO 0.22 0.59 1.34 -2.30 -1.52 0.00 0.00 175.55 173.88 1xgj n PRO 345 N -0.79 0.52 -0.35 -3.49 -0.02 -1.26 -4.89 135.00 124.71 1xgj n PRO 345 Ca -0.05 0.19 0.04 0.00 -2.02 0.00 0.00 63.50 61.66 1xgj n PRO 345 Cb 0.62 -1.76 0.21 0.00 -0.02 0.00 0.00 33.50 32.56 1xgj n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1xgj h ASN 346 N 4.42 0.97 -0.45 2.55 2.35 -1.99 -1.82 115.58 121.61 1xgj h ASN 346 Ca -0.48 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.32 1xgj h ASN 346 Cb 1.38 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.54 1xgj h ASN 346 CO 0.79 0.59 0.30 -0.65 -1.65 0.00 0.00 177.43 176.82 1xgj h PRO 347 N 1.09 0.48 -0.67 0.81 0.11 -1.97 -0.78 132.00 131.07 1xgj h PRO 347 Ca 0.44 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.46 1xgj h PRO 347 Cb 0.27 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 1xgj h PRO 347 CO -0.19 0.32 0.18 0.00 -0.21 0.00 0.00 178.00 178.09 1xgj h ALA 348 N 1.74 0.88 0.68 -0.75 0.00 -1.70 -0.67 119.26 119.44 1xgj h ALA 348 Ca 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xgj h ALA 348 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xgj h ALA 348 CO -0.05 0.59 -0.35 0.00 0.00 0.00 0.00 179.25 179.45 1xgj h ARG 349 N 1.00 -0.91 -0.39 0.00 3.08 -1.06 -2.17 114.38 113.92 1xgj h ARG 349 Ca 0.21 0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 1xgj h ARG 349 Cb 0.35 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1xgj h ARG 349 CO -0.00 -0.61 0.18 0.28 -1.07 0.00 0.00 179.97 178.75 1xgj h VAL 350 N -0.94 1.14 0.06 2.04 2.07 -1.18 -1.14 116.25 118.30 1xgj h VAL 350 Ca -0.09 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1xgj h VAL 350 Cb 0.73 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1xgj h VAL 350 CO 0.14 0.16 -0.03 -0.78 0.02 0.00 0.00 177.57 177.09 1xgj h ASP 351 N 0.55 -0.06 -0.62 0.57 1.82 -1.02 -0.78 116.42 116.88 1xgj h ASP 351 Ca 0.14 -0.20 -0.02 0.00 -0.39 0.00 0.00 57.03 56.56 1xgj h ASP 351 Cb 0.08 0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 1xgj h ASP 351 CO -0.02 0.17 0.32 0.00 -1.61 0.00 0.00 179.24 178.10 1xgj h ALA 352 N 0.63 0.79 -0.27 -0.78 0.00 -1.16 -1.39 119.26 117.09 1xgj h ALA 352 Ca -0.01 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1xgj h ALA 352 Cb 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1xgj h ALA 352 CO 0.01 0.33 0.08 0.00 0.00 0.00 0.00 179.25 179.67 1xgj h ALA 353 N 1.15 0.30 -0.50 0.00 0.00 -1.12 -1.70 119.26 117.38 1xgj h ALA 353 Ca 0.22 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1xgj h ALA 353 Cb 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xgj h ALA 353 CO -0.03 -0.33 0.12 2.35 0.00 0.00 0.00 179.25 181.37 1xgj h TRP 354 N 0.20 0.85 -0.28 0.00 7.01 -0.97 0.28 115.95 123.03 1xgj h TRP 354 Ca 0.12 -0.10 0.06 0.00 2.11 0.00 0.00 58.89 61.08 1xgj h TRP 354 Cb 0.10 -0.24 -0.06 0.00 -2.10 0.00 0.00 29.16 26.85 1xgj h TRP 354 CO -0.14 0.75 -0.14 0.37 -2.79 0.00 0.00 178.44 176.50 1xgj h GLN 355 N 0.70 -0.09 0.32 2.65 5.75 -0.99 0.29 115.11 123.73 1xgj h GLN 355 Ca 0.16 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 1xgj h GLN 355 Cb 0.33 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.90 1xgj h GLN 355 CO 0.00 -0.06 -0.15 0.82 -2.65 0.00 0.00 178.83 176.78 1xgj h ILE 356 N -0.10 0.69 -0.39 2.39 2.04 -1.10 -2.56 117.51 118.49 1xgj h ILE 356 Ca 0.15 -0.45 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 1xgj h ILE 356 Cb 0.32 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1xgj h ILE 356 CO -0.34 0.09 -0.18 -0.07 0.00 0.00 0.00 178.15 177.65 1xgj h LEU 357 N -0.69 0.73 -0.87 1.44 3.38 -0.79 -2.72 115.31 115.80 1xgj h LEU 357 Ca -0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1xgj h LEU 357 Cb 0.48 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1xgj h LEU 357 CO 0.07 0.90 0.37 -1.13 0.09 0.00 0.00 178.44 178.75 1xgj h ASN 358 N 0.65 1.09 0.03 -0.43 -1.24 -0.48 -1.44 115.58 113.76 1xgj h ASN 358 Ca 0.10 -0.14 -0.03 0.00 0.71 0.00 0.00 56.30 56.94 1xgj h ASN 358 Cb 0.66 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 1xgj h ASN 358 CO 0.05 0.93 -0.08 0.00 -1.29 0.00 0.00 177.43 177.04 1xgj h ALA 359 N 1.23 1.70 -0.00 1.57 0.00 -1.22 -3.03 119.26 119.51 1xgj h ALA 359 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xgj h ALA 359 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xgj h ALA 359 CO -0.03 0.22 -0.66 1.28 0.00 0.00 0.00 179.25 180.06 1xgj n LEU 360 N -4.37 1.10 0.00 0.00 4.77 -0.81 -5.11 117.00 112.57 1xgj n LEU 360 Ca -0.01 -0.40 0.15 0.00 -0.03 0.00 0.00 56.01 55.71 1xgj n LEU 360 Cb 0.20 -0.08 0.86 0.00 -2.33 0.00 0.00 43.42 42.08 1xgj n LEU 360 CO 0.36 0.24 1.03 0.00 -1.33 0.00 0.00 177.39 177.69