#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sj9 n ASP 5005N 0.00 0.51 -4.89 -3.46 10.43 -0.95 -4.96 116.55 113.22 1sj9 n ASP 5005Ca 0.00 -0.50 -0.26 0.00 2.57 0.00 0.00 54.79 56.60 1sj9 n ASP 5005Cb 0.00 1.50 -0.01 0.00 1.84 0.00 0.00 41.12 44.45 1sj9 n ASP 5005CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1sj9 s VAL 5006N -3.25 1.73 -0.82 2.53 -7.23 -1.19 -4.97 120.40 107.20 1sj9 s VAL 5006Ca 0.00 -1.49 0.11 0.00 -1.81 0.00 0.00 61.98 58.79 1sj9 s VAL 5006Cb 0.15 -2.23 -0.06 0.00 0.56 0.00 0.00 36.38 34.81 1sj9 s VAL 5006CO 0.89 0.00 0.59 0.33 -0.31 0.00 0.00 175.10 176.60 1sj9 n PHE 5007N -1.73 0.00 0.00 2.82 -0.00 -1.26 -4.69 117.46 112.60 1sj9 n PHE 5007Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 1sj9 n PHE 5007Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.12 1sj9 n PHE 5007CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1sj9 n HIS 5008N -0.68 0.00 0.14 -5.13 8.25 -1.26 -4.86 115.22 111.68 1sj9 n HIS 5008Ca 0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1sj9 n HIS 5008Cb 0.21 0.10 0.26 0.00 1.12 0.00 0.00 29.99 31.68 1sj9 n HIS 5008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1sj9 h LEU 5009N 0.00 0.10 0.00 2.41 3.38 -1.88 -3.43 115.31 115.89 1sj9 h LEU 5009Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1sj9 h LEU 5009Cb 0.51 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1sj9 h LEU 5009CO 0.00 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1sj9 n GLY 5010N -0.18 0.61 3.98 0.83 0.00 -1.26 -4.22 105.19 104.95 1sj9 n GLY 5010Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1sj9 n GLY 5010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sj9 s LEU 5011N 0.00 3.84 0.31 0.99 1.43 -1.26 -4.77 118.68 119.23 1sj9 s LEU 5011Ca 0.00 -0.11 0.10 0.00 -1.03 0.00 0.00 54.13 53.09 1sj9 s LEU 5011Cb 0.00 -2.83 -0.06 0.00 0.03 0.00 0.00 46.19 43.34 1sj9 s LEU 5011CO 0.00 -0.55 -0.11 0.28 0.23 0.00 0.00 176.35 176.20 1sj9 s THR 5012N -2.30 2.50 -0.37 5.49 -1.32 -1.26 -2.24 115.64 116.14 1sj9 s THR 5012Ca 0.47 -2.21 0.00 0.00 -1.21 0.00 0.00 61.69 58.74 1sj9 s THR 5012Cb -0.10 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 1sj9 s THR 5012CO 0.33 -0.29 0.45 1.17 -2.21 0.00 0.00 174.62 174.07 1sj9 n LYS 5013N -0.77 0.55 0.00 7.08 0.00 -1.26 -1.88 118.16 121.88 1sj9 n LYS 5013Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.26 1sj9 n LYS 5013Cb 0.62 -1.24 0.00 0.00 0.00 0.00 0.00 35.03 34.40 1sj9 n LYS 5013CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1sj9 n ASN 5014N 0.54 0.02 -0.41 3.14 5.15 -1.26 -4.76 115.26 117.67 1sj9 n ASN 5014Ca 0.00 -0.17 0.07 0.00 -0.60 0.00 0.00 54.58 53.87 1sj9 n ASN 5014Cb 0.22 0.20 0.25 0.00 -0.53 0.00 0.00 39.78 39.92 1sj9 n ASN 5014CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1sj9 n ASP 5015N -0.20 1.20 -0.03 1.20 10.43 -0.79 -3.92 116.55 124.45 1sj9 n ASP 5015Ca 0.00 -1.83 -0.03 0.00 2.57 0.00 0.00 54.79 55.51 1sj9 n ASP 5015Cb 0.01 -0.12 -0.04 0.00 1.84 0.00 0.00 41.12 42.81 1sj9 n ASP 5015CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1sj9 n LEU 5016N 0.09 0.09 -3.36 0.64 4.77 -1.26 -4.90 117.00 113.07 1sj9 n LEU 5016Ca 0.11 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1sj9 n LEU 5016Cb 0.22 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1sj9 n LEU 5016CO 0.08 0.14 0.11 0.00 -1.33 0.00 0.00 177.39 176.39 1sj9 n GLN 5017N -2.21 -1.41 0.00 3.23 3.00 -1.25 -2.47 117.38 116.27 1sj9 n GLN 5017Ca -0.08 1.20 0.00 0.00 -0.01 0.00 0.00 57.00 58.11 1sj9 n GLN 5017Cb 0.67 -4.37 0.00 0.00 0.00 0.00 0.00 30.24 26.54 1sj9 n GLN 5017CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sj9 n GLY 5018N -1.72 2.29 0.00 1.08 0.00 -1.26 -4.56 105.19 101.02 1sj9 n GLY 5018Ca -0.13 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1sj9 n GLY 5018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj9 n ALA 5019N 0.00 0.00 -0.80 4.61 0.00 -1.03 -4.71 120.51 118.58 1sj9 n ALA 5019Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sj9 n ALA 5019Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sj9 n ALA 5019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1sj9 n GLN 5020N 0.00 0.00 -3.78 0.00 6.02 -1.26 -4.76 117.38 113.60 1sj9 n GLN 5020Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1sj9 n GLN 5020Cb 0.00 -2.63 -0.10 0.00 1.02 0.00 0.00 30.24 28.52 1sj9 n GLN 5020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1sj9 s LEU 5021N 0.00 0.99 0.12 1.08 0.20 -1.26 -2.36 118.68 117.45 1sj9 s LEU 5021Ca 0.00 0.35 -0.14 0.00 0.69 0.00 0.00 54.13 55.03 1sj9 s LEU 5021Cb 0.00 1.00 0.02 0.00 -0.43 0.00 0.00 46.19 46.79 1sj9 s LEU 5021CO 0.00 -0.22 0.35 0.00 -0.29 0.00 0.00 176.35 176.19 1sj9 s ALA 5022N -0.41 -0.70 -0.13 5.97 0.00 -0.96 -0.60 121.76 124.92 1sj9 s ALA 5022Ca -0.05 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1sj9 s ALA 5022Cb -0.04 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.77 1sj9 s ALA 5022CO 0.01 -0.62 -0.17 0.42 0.00 0.00 0.00 175.76 175.40 1sj9 s ILE 5023N -3.83 1.73 -0.39 0.00 1.01 0.91 -1.62 121.20 119.01 1sj9 s ILE 5023Ca 0.05 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.96 1sj9 s ILE 5023Cb 0.02 -1.57 0.11 0.00 0.01 0.00 0.00 42.46 41.03 1sj9 s ILE 5023CO -0.10 0.49 0.12 0.68 0.00 0.00 0.00 174.94 176.12 1sj9 s VAL 5024N 1.05 2.50 0.24 2.92 -7.23 0.71 -2.64 120.40 117.95 1sj9 s VAL 5024Ca -0.04 -2.50 0.03 0.00 -1.81 0.00 0.00 61.98 57.66 1sj9 s VAL 5024Cb -0.15 -2.80 0.04 0.00 0.56 0.00 0.00 36.38 34.04 1sj9 s VAL 5024CO -0.04 -0.65 0.33 -0.81 -0.31 0.00 0.00 175.10 173.61 1sj9 n PRO 5025N 4.07 0.71 0.00 4.82 -0.04 -1.25 -3.97 135.00 139.33 1sj9 n PRO 5025Ca 0.04 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1sj9 n PRO 5025Cb 0.40 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 1sj9 n PRO 5025CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sj9 n GLY 5026N 2.23 -0.94 3.82 0.55 0.00 -1.26 -0.81 105.19 108.78 1sj9 n GLY 5026Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1sj9 n GLY 5026CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1sj9 s ASP 5027N -1.66 5.45 0.21 1.61 1.47 -1.26 -2.38 116.67 120.11 1sj9 s ASP 5027Ca 0.00 1.65 0.08 0.00 1.18 0.00 0.00 52.55 55.46 1sj9 s ASP 5027Cb 0.00 -2.50 0.11 0.00 -0.34 0.00 0.00 42.92 40.19 1sj9 s ASP 5027CO 0.00 -1.39 1.47 1.55 0.68 0.00 0.00 175.17 177.47 1sj9 h PRO 5028N -0.52 0.05 -1.25 2.11 0.13 -1.91 -3.15 132.00 127.45 1sj9 h PRO 5028Ca -0.44 -0.05 0.36 0.00 -0.87 0.00 0.00 66.00 65.00 1sj9 h PRO 5028Cb 1.21 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1sj9 h PRO 5028CO 0.57 0.80 0.96 1.49 -0.23 0.00 0.00 178.00 181.58 1sj9 h GLU 5029N 0.03 0.00 0.12 0.86 4.57 -1.97 0.15 114.58 118.34 1sj9 h GLU 5029Ca -0.01 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.85 1sj9 h GLU 5029Cb 1.37 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.96 1sj9 h GLU 5029CO 0.11 0.00 -1.68 0.00 -1.18 0.00 0.00 179.01 176.26 1sj9 h ARG 5030N 0.00 0.26 0.00 1.92 -0.00 -1.95 -3.34 114.38 111.26 1sj9 h ARG 5030Ca 0.59 -0.45 0.00 0.00 -0.50 0.00 0.00 59.98 59.63 1sj9 h ARG 5030Cb 2.50 0.17 0.00 0.00 0.00 0.00 0.00 29.97 32.63 1sj9 h ARG 5030CO -0.01 1.21 0.00 -0.39 0.00 0.00 0.00 179.97 180.79 1sj9 h VAL 5031N -0.15 0.00 0.15 2.04 -1.51 -0.79 0.82 116.25 116.80 1sj9 h VAL 5031Ca -0.36 -0.02 -0.34 0.00 -1.23 0.00 0.00 66.70 64.75 1sj9 h VAL 5031Cb 1.88 0.56 -0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1sj9 h VAL 5031CO 0.07 0.00 -1.77 1.05 -1.23 0.00 0.00 177.57 175.69 1sj9 h GLU 5032N 0.00 0.31 0.00 5.19 -0.00 -1.60 -3.10 114.58 115.39 1sj9 h GLU 5032Ca 0.00 -0.53 -0.07 0.00 -0.00 0.00 0.00 59.36 58.76 1sj9 h GLU 5032Cb 0.03 0.20 -0.01 0.00 -0.00 0.00 0.00 28.75 28.96 1sj9 h GLU 5032CO 0.00 1.20 -0.61 -0.22 -0.00 0.00 0.00 179.01 179.38 1sj9 h LYS 5033N 0.08 0.00 -0.41 1.06 1.63 -1.26 -2.73 116.57 114.95 1sj9 h LYS 5033Ca -0.34 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.44 1sj9 h LYS 5033Cb 2.06 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.67 1sj9 h LYS 5033CO 0.15 0.25 0.17 0.82 -3.45 0.00 0.00 179.45 177.39 1sj9 h ILE 5034N 0.00 1.19 0.00 2.00 1.08 0.48 -2.34 117.51 119.92 1sj9 h ILE 5034Ca -0.03 -0.58 -0.06 0.00 -0.39 0.00 0.00 64.86 63.79 1sj9 h ILE 5034Cb 1.26 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 35.82 1sj9 h ILE 5034CO 0.03 0.21 -0.30 0.00 -0.69 0.00 0.00 178.15 177.41 1sj9 h ALA 5035N 1.02 1.01 0.00 1.87 0.00 -1.53 -2.55 119.26 119.07 1sj9 h ALA 5035Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sj9 h ALA 5035Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sj9 h ALA 5035CO -0.01 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1sj9 n ALA 5036N -2.26 1.53 0.05 0.00 0.00 -0.89 -1.50 120.51 117.44 1sj9 n ALA 5036Ca -0.00 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.46 1sj9 n ALA 5036Cb 0.47 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 1sj9 n ALA 5036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sj9 n LEU 5037N -1.49 0.71 -4.97 0.00 7.99 -0.96 -4.89 117.00 113.38 1sj9 n LEU 5037Ca 0.03 0.29 -0.21 0.00 -0.01 0.00 0.00 56.01 56.11 1sj9 n LEU 5037Cb 0.13 0.03 -0.01 0.00 -0.11 0.00 0.00 43.42 43.46 1sj9 n LEU 5037CO 0.10 0.01 0.02 -0.04 -1.51 0.00 0.00 177.39 175.98 1sj9 s MET 5038N -3.15 3.36 0.41 3.23 -1.94 -0.56 -5.10 119.30 115.54 1sj9 s MET 5038Ca -0.03 -0.75 -0.12 0.00 -1.71 0.00 0.00 55.69 53.08 1sj9 s MET 5038Cb 0.10 -2.83 -0.07 0.00 2.01 0.00 0.00 34.83 34.03 1sj9 s MET 5038CO 0.82 0.29 0.80 0.16 -0.01 0.00 0.00 175.02 177.07 1sj9 s ASP 5039N -4.04 6.58 -0.70 3.03 -4.77 -0.76 -4.39 116.67 111.62 1sj9 s ASP 5039Ca 0.38 1.23 -0.00 0.00 -3.30 0.00 0.00 52.55 50.86 1sj9 s ASP 5039Cb -0.09 -2.36 -0.00 0.00 -1.09 0.00 0.00 42.92 39.37 1sj9 s ASP 5039CO 0.31 -0.39 0.58 0.29 0.70 0.00 0.00 175.17 176.66 1sj9 n LYS 5040N -1.17 -3.73 -1.76 2.11 5.02 -1.26 0.20 118.16 117.57 1sj9 n LYS 5040Ca 0.03 0.50 -0.41 0.00 -2.02 0.00 0.00 58.31 56.41 1sj9 n LYS 5040Cb 0.54 -4.45 -0.00 0.00 -0.02 0.00 0.00 35.03 31.10 1sj9 n LYS 5040CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1sj9 n PRO 5041N -2.82 2.55 -3.32 1.97 -0.02 -1.26 -4.18 135.00 127.92 1sj9 n PRO 5041Ca -0.16 0.89 -0.12 0.00 -2.02 0.00 0.00 63.50 62.09 1sj9 n PRO 5041Cb 0.60 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 1sj9 n PRO 5041CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sj9 s VAL 5042N -1.12 -0.50 -0.15 -1.45 1.01 0.24 -4.95 120.40 113.47 1sj9 s VAL 5042Ca 0.54 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1sj9 s VAL 5042Cb -0.49 -0.56 -0.08 0.00 0.00 0.00 0.00 36.38 35.25 1sj9 s VAL 5042CO 0.63 -0.43 2.11 1.17 0.00 0.00 0.00 175.10 178.59 1sj9 n LYS 5043N 4.38 2.14 -0.08 2.72 4.81 -1.26 -0.49 118.16 130.38 1sj9 n LYS 5043Ca 0.10 0.68 -0.19 0.00 -0.87 0.00 0.00 58.31 58.03 1sj9 n LYS 5043Cb 0.48 -3.02 -0.12 0.00 0.02 0.00 0.00 35.03 32.39 1sj9 n LYS 5043CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1sj9 h LEU 5044N 12.88 0.04 0.00 3.14 3.38 -1.25 -3.47 115.31 130.02 1sj9 h LEU 5044Ca -0.43 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 56.85 1sj9 h LEU 5044Cb 1.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1sj9 h LEU 5044CO 0.96 1.36 0.00 0.00 0.09 0.00 0.00 178.44 180.85 1sj9 n ALA 5045N -3.13 0.00 0.00 1.53 0.00 -0.91 -5.01 120.51 112.99 1sj9 n ALA 5045Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1sj9 n ALA 5045Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1sj9 n ALA 5045CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sj9 n SER 5046N -0.04 0.00 -4.19 0.00 2.88 -1.25 -3.33 113.62 107.70 1sj9 n SER 5046Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1sj9 n SER 5046Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 1sj9 n SER 5046CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1sj9 s HIS 5047N 0.00 2.63 0.00 0.66 3.76 -1.05 -4.96 115.29 116.33 1sj9 s HIS 5047Ca 0.00 -1.23 0.00 0.00 -0.15 0.00 0.00 55.06 53.68 1sj9 s HIS 5047Cb 0.00 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.91 1sj9 s HIS 5047CO 0.00 -0.54 0.00 0.54 -0.85 0.00 0.00 174.74 173.89 1sj9 n ARG 5048N 3.86 0.00 0.00 1.40 5.12 -1.26 -2.21 116.66 123.57 1sj9 n ARG 5048Ca -0.20 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.76 1sj9 n ARG 5048Cb 0.52 0.00 0.20 0.00 -1.16 0.00 0.00 32.46 32.02 1sj9 n ARG 5048CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1sj9 n GLU 5049N 0.00 0.73 -3.36 5.56 -0.58 -1.26 -4.58 120.64 117.14 1sj9 n GLU 5049Ca 0.00 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.28 1sj9 n GLU 5049Cb 0.00 -1.14 -0.02 0.00 -0.57 0.00 0.00 31.44 29.70 1sj9 n GLU 5049CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1sj9 s PHE 5050N -2.00 3.78 -0.33 -0.32 2.99 -0.94 -4.36 117.98 116.80 1sj9 s PHE 5050Ca 0.10 -2.11 -0.11 0.00 0.00 0.00 0.00 56.93 54.81 1sj9 s PHE 5050Cb 0.05 -3.77 -0.01 0.00 0.00 0.00 0.00 43.02 39.28 1sj9 s PHE 5050CO 0.08 -0.97 0.20 0.99 -0.00 0.00 0.00 175.22 175.52 1sj9 s THR 5051N 0.01 4.94 -0.05 0.64 2.01 -1.26 -2.54 115.64 119.40 1sj9 s THR 5051Ca 0.19 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.86 1sj9 s THR 5051Cb -0.11 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1sj9 s THR 5051CO -0.09 -0.01 -0.17 -0.94 -0.69 0.00 0.00 174.62 172.72 1sj9 s SER 5052N 1.66 3.80 0.19 3.53 1.04 -1.21 -2.48 113.70 120.23 1sj9 s SER 5052Ca 0.05 -0.27 0.11 0.00 0.48 0.00 0.00 55.95 56.32 1sj9 s SER 5052Cb -0.17 -0.79 -0.04 0.00 0.10 0.00 0.00 66.02 65.11 1sj9 s SER 5052CO 0.08 0.33 -0.23 0.26 0.98 0.00 0.00 173.24 174.67 1sj9 s TRP 5053N -0.63 2.19 0.01 5.02 0.52 -1.21 -0.72 118.94 124.13 1sj9 s TRP 5053Ca 0.09 -0.38 0.06 0.00 0.02 0.00 0.00 56.10 55.90 1sj9 s TRP 5053Cb -0.11 -1.08 -0.03 0.00 -1.15 0.00 0.00 33.47 31.10 1sj9 s TRP 5053CO 0.01 0.47 -0.19 0.50 0.02 0.00 0.00 176.95 177.76 1sj9 s ARG 5054N -2.73 2.18 0.32 4.98 3.52 0.36 -2.49 118.95 125.08 1sj9 s ARG 5054Ca 0.20 -0.91 -0.06 0.00 -0.13 0.00 0.00 55.73 54.84 1sj9 s ARG 5054Cb -0.07 -2.21 0.00 0.00 -1.56 0.00 0.00 34.95 31.11 1sj9 s ARG 5054CO 0.09 0.56 0.48 0.00 -0.81 0.00 0.00 175.30 175.63 1sj9 s ALA 5055N -0.83 0.43 0.25 6.12 0.00 -1.11 0.79 121.76 127.41 1sj9 s ALA 5055Ca 0.13 -1.31 0.11 0.00 0.00 0.00 0.00 51.96 50.88 1sj9 s ALA 5055Cb -0.10 1.11 -0.05 0.00 0.00 0.00 0.00 23.12 24.08 1sj9 s ALA 5055CO 0.03 -0.81 -0.18 -2.00 0.00 0.00 0.00 175.76 172.79 1sj9 s GLU 5056N -3.28 1.56 -0.29 0.00 2.56 0.54 -2.40 118.70 117.38 1sj9 s GLU 5056Ca 0.28 -1.70 0.02 0.00 0.00 0.00 0.00 54.97 53.57 1sj9 s GLU 5056Cb -0.00 -1.56 0.20 0.00 2.00 0.00 0.00 34.13 34.76 1sj9 s GLU 5056CO 0.16 0.29 0.61 -1.17 -0.56 0.00 0.00 175.26 174.59 1sj9 s LEU 5057N -3.42 -1.49 -1.45 2.70 2.96 -0.77 -1.84 118.68 115.37 1sj9 s LEU 5057Ca 0.27 0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 54.59 1sj9 s LEU 5057Cb -0.04 2.07 0.02 0.00 0.50 0.00 0.00 46.19 48.74 1sj9 s LEU 5057CO 0.12 -0.28 0.94 0.47 -1.32 0.00 0.00 176.35 176.29 1sj9 n ASP 5058N 5.42 -6.11 -0.26 3.68 9.92 -1.26 -1.60 116.55 126.33 1sj9 n ASP 5058Ca 0.02 -0.46 -0.03 0.00 -0.53 0.00 0.00 54.79 53.78 1sj9 n ASP 5058Cb 0.53 -4.86 -0.01 0.00 -0.64 0.00 0.00 41.12 36.13 1sj9 n ASP 5058CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sj9 n GLY 5059N -1.79 0.65 3.70 0.44 0.00 -1.26 -5.04 105.19 101.89 1sj9 n GLY 5059Ca -0.03 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1sj9 n GLY 5059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sj9 s LYS 5060N -2.04 2.87 0.08 1.61 -0.14 -0.63 -5.10 119.74 116.38 1sj9 s LYS 5060Ca 0.00 -0.55 -0.25 0.00 -1.36 0.00 0.00 55.97 53.80 1sj9 s LYS 5060Cb 0.00 -2.72 -0.06 0.00 -1.68 0.00 0.00 37.83 33.37 1sj9 s LYS 5060CO 0.00 0.64 0.78 0.00 -0.76 0.00 0.00 175.35 176.02 1sj9 s ALA 5061N -1.07 3.38 -0.04 5.17 0.00 -1.26 -1.85 121.76 126.09 1sj9 s ALA 5061Ca 0.19 0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.42 1sj9 s ALA 5061Cb -0.12 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1sj9 s ALA 5061CO 0.09 0.11 0.12 0.08 0.00 0.00 0.00 175.76 176.17 1sj9 s VAL 5062N -0.31 0.02 -0.06 0.00 1.01 -1.01 -3.95 120.40 116.10 1sj9 s VAL 5062Ca 0.38 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 1sj9 s VAL 5062Cb -0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 1sj9 s VAL 5062CO 0.24 -0.08 -0.03 -0.63 0.00 0.00 0.00 175.10 174.61 1sj9 s ILE 5063N -0.22 4.04 -0.51 2.22 1.09 0.23 -2.75 121.20 125.32 1sj9 s ILE 5063Ca -0.03 -0.42 0.07 0.00 -1.10 0.00 0.00 60.65 59.17 1sj9 s ILE 5063Cb -0.02 -2.71 0.25 0.00 -1.06 0.00 0.00 42.46 38.92 1sj9 s ILE 5063CO 0.00 0.55 0.62 0.52 -0.10 0.00 0.00 174.94 176.53 1sj9 n VAL 5064N 1.99 0.69 -3.58 2.92 0.31 -1.04 -0.06 118.33 119.56 1sj9 n VAL 5064Ca -0.17 -4.55 -0.32 0.00 -0.01 0.00 0.00 64.34 59.28 1sj9 n VAL 5064Cb 0.53 -2.02 -0.05 0.00 -0.91 0.00 0.00 33.84 31.39 1sj9 n VAL 5064CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sj9 s SER 5066N -2.24 6.57 -0.22 0.00 1.04 -1.04 -3.90 113.70 113.91 1sj9 s SER 5066Ca 0.41 0.85 -0.17 0.00 0.48 0.00 0.00 55.95 57.51 1sj9 s SER 5066Cb -0.12 -2.20 -0.18 0.00 0.10 0.00 0.00 66.02 63.62 1sj9 s SER 5066CO 0.22 -0.10 0.07 0.35 0.98 0.00 0.00 173.24 174.76 1sj9 n THR 5067N -0.33 1.56 0.00 2.02 -2.24 0.01 -4.39 114.28 110.91 1sj9 n THR 5067Ca -0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1sj9 n THR 5067Cb 0.53 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 1sj9 n THR 5067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sj9 n GLY 5068N 1.48 0.20 3.05 3.38 0.00 -1.00 -3.77 105.19 108.53 1sj9 n GLY 5068Ca -0.38 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.63 1sj9 n GLY 5068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sj9 s ILE 5069N 0.00 1.94 0.00 -0.61 -1.09 -1.26 -4.68 121.20 115.50 1sj9 s ILE 5069Ca 0.00 -1.24 0.00 0.00 -2.23 0.00 0.00 60.65 57.18 1sj9 s ILE 5069Cb 0.00 -1.97 0.00 0.00 -1.58 0.00 0.00 42.46 38.91 1sj9 s ILE 5069CO 0.00 0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.49 1sj9 n GLY 5070N 4.57 -1.76 0.39 6.18 0.00 -1.26 -4.25 105.19 109.06 1sj9 n GLY 5070Ca -0.16 -1.48 0.18 0.00 0.00 0.00 0.00 46.02 44.56 1sj9 n GLY 5070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sj9 h GLY 5071N 0.00 0.64 0.18 -0.02 0.00 -1.86 -2.02 103.07 99.99 1sj9 h GLY 5071Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.23 1sj9 h GLY 5071CO 0.00 0.03 -0.30 -2.55 0.00 0.00 0.00 176.54 173.72 1sj9 h PRO 5072N 0.34 -0.36 0.46 4.80 0.11 -1.95 1.10 132.00 136.51 1sj9 h PRO 5072Ca 0.40 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.51 1sj9 h PRO 5072Cb 1.03 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1sj9 h PRO 5072CO -0.12 -0.24 -0.22 0.66 -0.21 0.00 0.00 178.00 177.88 1sj9 h SER 5073N -0.37 -0.52 -0.90 -2.05 4.64 -1.60 -2.92 113.55 109.83 1sj9 h SER 5073Ca 0.10 -0.04 0.19 0.00 -0.47 0.00 0.00 61.79 61.57 1sj9 h SER 5073Cb 0.52 0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 62.68 1sj9 h SER 5073CO -0.35 -0.29 0.59 0.74 -0.87 0.00 0.00 176.83 176.65 1sj9 h THR 5074N -0.72 0.71 -0.66 2.95 2.02 -1.06 -1.45 112.91 114.70 1sj9 h THR 5074Ca -0.06 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 1sj9 h THR 5074Cb 0.52 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1sj9 h THR 5074CO 0.10 0.09 0.22 0.77 0.37 0.00 0.00 175.52 177.07 1sj9 h SER 5075N 0.49 0.92 -0.25 4.18 4.64 0.15 -1.54 113.55 122.13 1sj9 h SER 5075Ca 0.47 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.60 1sj9 h SER 5075Cb 1.06 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1sj9 h SER 5075CO -0.20 0.86 -0.01 0.40 -0.87 0.00 0.00 176.83 177.01 1sj9 h ILE 5076N 0.96 1.26 0.82 0.95 1.08 -1.18 -1.40 117.51 120.01 1sj9 h ILE 5076Ca 0.22 -0.94 -0.04 0.00 -0.39 0.00 0.00 64.86 63.71 1sj9 h ILE 5076Cb 0.26 1.37 0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1sj9 h ILE 5076CO -0.01 0.29 -0.39 0.00 -0.69 0.00 0.00 178.15 177.35 1sj9 h ALA 5077N 0.81 -1.18 -0.42 1.87 0.00 -1.29 0.54 119.26 119.58 1sj9 h ALA 5077Ca 0.07 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.86 1sj9 h ALA 5077Cb 0.43 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1sj9 h ALA 5077CO 0.01 -1.10 0.35 0.28 0.00 0.00 0.00 179.25 178.79 1sj9 h VAL 5078N -1.20 0.61 0.04 0.00 2.07 -1.36 0.61 116.25 117.01 1sj9 h VAL 5078Ca -0.11 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 1sj9 h VAL 5078Cb 0.84 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1sj9 h VAL 5078CO 0.18 0.00 -0.83 -0.08 0.02 0.00 0.00 177.57 176.86 1sj9 h GLU 5079N 0.00 0.08 -0.11 1.57 4.57 -1.09 -2.68 114.58 116.92 1sj9 h GLU 5079Ca 0.20 -0.13 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 1sj9 h GLU 5079Cb 0.89 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 1sj9 h GLU 5079CO -0.00 1.06 -0.32 0.93 -1.18 0.00 0.00 179.01 179.50 1sj9 h GLU 5080N -0.79 0.21 0.38 1.92 5.08 0.62 -2.98 114.58 119.02 1sj9 h GLU 5080Ca -0.20 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1sj9 h GLU 5080Cb 1.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1sj9 h GLU 5080CO -0.05 0.52 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.23 1sj9 h LEU 5081N 0.19 -0.43 -1.86 1.33 4.07 0.08 -3.11 115.31 115.57 1sj9 h LEU 5081Ca 0.02 0.01 0.54 0.00 0.08 0.00 0.00 57.88 58.54 1sj9 h LEU 5081Cb 0.67 0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.45 1sj9 h LEU 5081CO 0.05 -0.25 1.40 0.00 -1.08 0.00 0.00 178.44 178.56 1sj9 n ALA 5082N -2.35 1.79 -0.05 1.53 0.00 -1.01 0.16 120.51 120.58 1sj9 n ALA 5082Ca -0.06 0.61 -0.14 0.00 0.00 0.00 0.00 53.44 53.85 1sj9 n ALA 5082Cb 0.20 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1sj9 n ALA 5082CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1sj9 h GLN 5083N 0.00 0.80 -0.00 0.00 1.08 -1.46 -3.15 115.11 112.38 1sj9 h GLN 5083Ca 0.88 -0.54 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1sj9 h GLN 5083Cb 3.67 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 31.18 1sj9 h GLN 5083CO -0.01 1.16 -0.02 1.28 -0.95 0.00 0.00 178.83 180.30 1sj9 n LEU 5084N -3.98 0.07 0.00 1.46 4.77 0.43 -4.92 117.00 114.83 1sj9 n LEU 5084Ca -0.05 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1sj9 n LEU 5084Cb 0.65 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1sj9 n LEU 5084CO 0.50 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1sj9 n GLY 5085N 1.27 3.24 3.69 -0.72 0.00 -1.02 -4.84 105.19 106.82 1sj9 n GLY 5085Ca 0.15 -0.65 -0.56 0.00 0.00 0.00 0.00 46.02 44.96 1sj9 n GLY 5085CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sj9 n ILE 5086N 0.00 0.30 0.38 -0.61 -0.00 -1.22 -4.10 119.36 114.11 1sj9 n ILE 5086Ca 0.00 -0.05 0.04 0.00 -0.00 0.00 0.00 62.75 62.74 1sj9 n ILE 5086Cb 0.00 -1.26 -0.04 0.00 -0.00 0.00 0.00 39.64 38.34 1sj9 n ILE 5086CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1sj9 n ARG 5087N 5.15 4.20 -3.82 0.38 5.12 -0.99 -3.58 116.66 123.11 1sj9 n ARG 5087Ca 0.25 -0.03 -0.18 0.00 -1.93 0.00 0.00 57.85 55.96 1sj9 n ARG 5087Cb 0.16 -0.89 -0.17 0.00 -1.16 0.00 0.00 32.46 30.40 1sj9 n ARG 5087CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1sj9 s THR 5088N -1.73 0.08 -0.22 0.55 -1.32 -1.18 -1.49 115.64 110.32 1sj9 s THR 5088Ca 0.03 0.20 -0.02 0.00 -1.21 0.00 0.00 61.69 60.69 1sj9 s THR 5088Cb 0.06 -0.22 0.01 0.00 -1.51 0.00 0.00 72.50 70.84 1sj9 s THR 5088CO 0.33 0.15 -0.10 -0.36 -2.21 0.00 0.00 174.62 172.43 1sj9 s PHE 5089N 1.36 2.94 -0.22 9.09 0.40 0.15 -2.28 117.98 129.43 1sj9 s PHE 5089Ca -0.05 -1.38 -0.07 0.00 -0.60 0.00 0.00 56.93 54.83 1sj9 s PHE 5089Cb -0.13 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 1sj9 s PHE 5089CO -0.03 -0.69 0.06 -0.51 0.70 0.00 0.00 175.22 174.75 1sj9 s LEU 5090N 1.37 3.51 0.03 -0.37 1.43 -0.64 -0.79 118.68 123.22 1sj9 s LEU 5090Ca 0.04 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1sj9 s LEU 5090Cb -0.15 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1sj9 s LEU 5090CO -0.07 0.04 0.12 -0.60 0.23 0.00 0.00 176.35 176.07 1sj9 s ARG 5091N 1.18 3.14 -0.01 1.70 6.06 0.92 -0.20 118.95 131.73 1sj9 s ARG 5091Ca 0.04 -0.51 -0.08 0.00 -2.50 0.00 0.00 55.73 52.68 1sj9 s ARG 5091Cb -0.14 -2.89 0.01 0.00 0.06 0.00 0.00 34.95 31.98 1sj9 s ARG 5091CO 0.03 0.62 0.16 -1.50 -2.50 0.00 0.00 175.30 172.11 1sj9 s ILE 5092N -1.33 0.07 0.13 4.11 2.07 -1.25 -0.97 121.20 124.02 1sj9 s ILE 5092Ca 0.28 -0.55 -0.25 0.00 -1.41 0.00 0.00 60.65 58.72 1sj9 s ILE 5092Cb -0.12 -0.42 0.07 0.00 0.13 0.00 0.00 42.46 42.12 1sj9 s ILE 5092CO 0.20 -0.30 0.81 -0.83 -1.91 0.00 0.00 174.94 172.91 1sj9 s GLY 5093N -1.11 -0.37 0.72 1.50 0.00 -1.15 -4.24 107.32 102.67 1sj9 s GLY 5093Ca -0.12 0.41 -0.05 0.00 0.00 0.00 0.00 44.72 44.96 1sj9 s GLY 5093CO 0.02 0.13 1.01 -1.08 0.00 0.00 0.00 173.10 173.17 1sj9 s THR 5094N -3.45 2.27 -0.32 0.90 -1.32 -1.26 0.21 115.64 112.67 1sj9 s THR 5094Ca 0.07 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.19 1sj9 s THR 5094Cb -0.02 -2.91 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 1sj9 s THR 5094CO -0.04 0.00 0.00 1.07 -2.21 0.00 0.00 174.62 173.44 1sj9 n THR 5095N -2.92 0.00 -4.33 5.08 5.66 0.41 -4.54 114.28 113.64 1sj9 n THR 5095Ca 0.10 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.93 1sj9 n THR 5095Cb 0.60 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.28 1sj9 n THR 5095CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1sj9 s GLY 5096N 0.00 1.48 0.01 1.09 0.00 -1.26 -0.31 107.32 108.34 1sj9 s GLY 5096Ca 0.00 -1.72 0.06 0.00 0.00 0.00 0.00 44.72 43.06 1sj9 s GLY 5096CO 0.00 -1.69 -0.18 0.00 0.00 0.00 0.00 173.10 171.23 1sj9 s ALA 5097N -3.30 1.55 -0.16 3.20 0.00 -1.04 -3.47 121.76 118.55 1sj9 s ALA 5097Ca 0.26 -0.88 0.18 0.00 0.00 0.00 0.00 51.96 51.51 1sj9 s ALA 5097Cb 0.04 -0.34 -0.07 0.00 0.00 0.00 0.00 23.12 22.75 1sj9 s ALA 5097CO 0.07 0.36 0.98 -0.84 0.00 0.00 0.00 175.76 176.33 1sj9 h ILE 5098N 4.55 0.45 -2.79 0.00 3.07 -1.00 -3.34 117.51 118.45 1sj9 h ILE 5098Ca -0.39 -1.82 -0.55 0.00 1.55 0.00 0.00 64.86 63.64 1sj9 h ILE 5098Cb 1.16 2.00 -0.01 0.00 -0.27 0.00 0.00 36.82 39.69 1sj9 h ILE 5098CO 0.46 0.26 0.96 -1.10 -1.05 0.00 0.00 178.15 177.67 1sj9 s GLN 5099N -3.02 4.23 0.24 0.16 -1.52 -1.25 -4.52 119.66 113.97 1sj9 s GLN 5099Ca -0.01 1.98 -0.06 0.00 -1.95 0.00 0.00 55.36 55.32 1sj9 s GLN 5099Cb 0.09 -3.79 0.42 0.00 -0.22 0.00 0.00 33.01 29.51 1sj9 s GLN 5099CO 0.79 -0.72 1.71 -1.35 -0.25 0.00 0.00 175.29 175.47 1sj9 h PRO 5100N 8.62 0.34 0.00 2.91 0.11 -1.93 -0.90 132.00 141.16 1sj9 h PRO 5100Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1sj9 h PRO 5100Cb 1.16 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sj9 h PRO 5100CO 0.94 0.23 0.00 -2.39 -0.21 0.00 0.00 178.00 176.57 1sj9 n HIS 5101N -5.07 0.46 -3.04 0.65 1.44 -1.26 -4.64 115.22 103.76 1sj9 n HIS 5101Ca 0.13 0.17 -0.40 0.00 -2.01 0.00 0.00 57.72 55.61 1sj9 n HIS 5101Cb 0.41 -0.78 -0.05 0.00 0.12 0.00 0.00 29.99 29.69 1sj9 n HIS 5101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1sj9 s ILE 5102N -3.15 4.98 0.32 0.61 1.01 -0.34 -5.05 121.20 119.58 1sj9 s ILE 5102Ca 0.07 1.35 0.09 0.00 0.00 0.00 0.00 60.65 62.15 1sj9 s ILE 5102Cb 0.10 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1sj9 s ILE 5102CO 0.38 0.10 0.08 0.20 0.00 0.00 0.00 174.94 175.69 1sj9 s ASN 5103N 1.15 4.55 0.22 3.58 -0.87 -1.26 -4.87 114.94 117.44 1sj9 s ASN 5103Ca 0.32 -0.78 -0.30 0.00 -1.57 0.00 0.00 52.86 50.53 1sj9 s ASN 5103Cb -0.16 -0.72 -0.10 0.00 -0.02 0.00 0.00 41.25 40.24 1sj9 s ASN 5103CO 0.12 -0.21 1.46 0.54 -2.57 0.00 0.00 177.10 176.44 1sj9 s VAL 5104N -2.42 2.71 0.00 1.60 0.11 -1.26 -2.47 120.40 118.67 1sj9 s VAL 5104Ca 0.35 0.57 0.00 0.00 -2.93 0.00 0.00 61.98 59.97 1sj9 s VAL 5104Cb -0.03 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 1sj9 s VAL 5104CO 0.21 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 1sj9 n GLY 5105N 2.64 0.59 3.90 6.54 0.00 -0.40 -5.01 105.19 113.45 1sj9 n GLY 5105Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1sj9 n GLY 5105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sj9 s ASP 5106N -2.83 6.42 -0.15 1.61 1.01 -1.03 -4.53 116.67 117.16 1sj9 s ASP 5106Ca 0.00 0.78 -0.03 0.00 0.71 0.00 0.00 52.55 54.01 1sj9 s ASP 5106Cb 0.00 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.73 1sj9 s ASP 5106CO 0.00 -0.29 -0.04 0.54 0.21 0.00 0.00 175.17 175.59 1sj9 s VAL 5107N -2.24 3.87 -0.68 -1.27 0.11 0.12 -3.00 120.40 117.31 1sj9 s VAL 5107Ca 0.45 -0.37 -0.04 0.00 -2.93 0.00 0.00 61.98 59.09 1sj9 s VAL 5107Cb -0.10 -2.68 0.18 0.00 -1.53 0.00 0.00 36.38 32.24 1sj9 s VAL 5107CO 0.33 0.50 0.52 -0.76 -3.33 0.00 0.00 175.10 172.36 1sj9 s LEU 5108N 0.27 5.47 -0.04 2.54 1.43 -1.10 0.14 118.68 127.39 1sj9 s LEU 5108Ca -0.03 -2.93 -0.30 0.00 -1.03 0.00 0.00 54.13 49.84 1sj9 s LEU 5108Cb -0.14 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1sj9 s LEU 5108CO 0.03 -0.38 1.13 -0.69 0.23 0.00 0.00 176.35 176.68 1sj9 s VAL 5109N -0.17 4.40 -0.17 -1.59 1.01 0.00 -3.46 120.40 120.43 1sj9 s VAL 5109Ca 0.18 1.72 -0.06 0.00 0.00 0.00 0.00 61.98 63.81 1sj9 s VAL 5109Cb -0.18 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1sj9 s VAL 5109CO -0.05 0.04 0.04 -0.89 0.00 0.00 0.00 175.10 174.24 1sj9 s THR 5110N 1.84 4.61 -0.11 3.92 2.01 -0.93 -1.45 115.64 125.54 1sj9 s THR 5110Ca 0.54 -0.10 -0.14 0.00 0.31 0.00 0.00 61.69 62.30 1sj9 s THR 5110Cb -0.24 -3.06 -0.27 0.00 0.01 0.00 0.00 72.50 68.95 1sj9 s THR 5110CO 0.23 0.49 0.51 0.00 -0.69 0.00 0.00 174.62 175.16 1sj9 h THR 5111N 4.82 0.94 -2.22 -0.82 1.03 -0.90 -3.42 112.91 112.35 1sj9 h THR 5111Ca -0.38 -2.39 -0.07 0.00 -0.01 0.00 0.00 66.41 63.57 1sj9 h THR 5111Cb 1.18 2.65 -0.21 0.00 -1.07 0.00 0.00 68.15 70.70 1sj9 h THR 5111CO 0.67 0.73 0.06 0.00 -0.01 0.00 0.00 175.52 176.97 1sj9 s ALA 5112N -2.49 -1.56 0.04 0.00 0.00 -1.25 0.23 121.76 116.73 1sj9 s ALA 5112Ca -0.20 1.44 0.07 0.00 0.00 0.00 0.00 51.96 53.27 1sj9 s ALA 5112Cb 0.05 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1sj9 s ALA 5112CO 0.77 -0.32 -0.19 -1.12 0.00 0.00 0.00 175.76 174.89 1sj9 s SER 5113N -0.44 3.72 -0.71 0.00 0.01 -0.42 -2.80 113.70 113.05 1sj9 s SER 5113Ca -0.06 -0.44 -0.26 0.00 1.31 0.00 0.00 55.95 56.51 1sj9 s SER 5113Cb -0.03 -0.58 -0.08 0.00 0.21 0.00 0.00 66.02 65.55 1sj9 s SER 5113CO 0.05 0.26 2.18 -0.69 0.41 0.00 0.00 173.24 175.45 1sj9 s VAL 5114N -0.90 3.19 -0.68 3.43 1.01 0.44 -4.43 120.40 122.46 1sj9 s VAL 5114Ca 0.14 -0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 1sj9 s VAL 5114Cb -0.10 -3.45 -0.15 0.00 0.00 0.00 0.00 36.38 32.67 1sj9 s VAL 5114CO 0.05 -0.43 1.72 0.54 0.00 0.00 0.00 175.10 176.97 1sj9 n ARG 5115N 8.95 0.07 -1.13 2.72 1.74 -1.26 -3.47 116.66 124.28 1sj9 n ARG 5115Ca 0.38 -1.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.24 1sj9 n ARG 5115Cb 0.49 -2.81 0.18 0.00 -1.02 0.00 0.00 32.46 29.30 1sj9 n ARG 5115CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1sj9 n LEU 5116N 14.07 6.07 -4.56 0.55 4.77 -1.09 -4.98 117.00 131.84 1sj9 n LEU 5116Ca 0.27 -3.69 -0.26 0.00 -0.03 0.00 0.00 56.01 52.30 1sj9 n LEU 5116Cb 0.47 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 1sj9 n LEU 5116CO 0.57 1.13 -0.27 1.51 -1.33 0.00 0.00 177.39 179.00 1sj9 s ASP 5117N -1.66 3.21 -0.05 -1.43 -4.77 -1.23 -3.84 116.67 106.89 1sj9 s ASP 5117Ca 0.54 -1.44 0.16 0.00 -3.30 0.00 0.00 52.55 48.52 1sj9 s ASP 5117Cb 0.46 -0.08 -0.25 0.00 -1.09 0.00 0.00 42.92 41.96 1sj9 s ASP 5117CO 0.08 -0.61 0.30 0.61 0.70 0.00 0.00 175.17 176.25 1sj9 n GLY 5118N -0.89 -0.78 0.05 2.12 0.00 -1.26 -4.51 105.19 99.93 1sj9 n GLY 5118Ca -0.06 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 1sj9 n GLY 5118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj9 h ALA 5119N 1.38 -0.03 -0.88 4.61 0.00 -1.97 -2.90 119.26 119.47 1sj9 h ALA 5119Ca -0.09 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 54.99 1sj9 h ALA 5119Cb 1.04 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 1sj9 h ALA 5119CO 0.01 -0.46 0.13 0.66 0.00 0.00 0.00 179.25 179.58 1sj9 h SER 5120N -0.13 -0.22 0.00 0.00 4.64 -1.87 0.14 113.55 116.11 1sj9 h SER 5120Ca -0.00 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1sj9 h SER 5120Cb 0.13 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1sj9 h SER 5120CO 0.00 -0.23 0.34 -0.07 -0.87 0.00 0.00 176.83 176.00 1sj9 h LEU 5121N 0.12 0.00 0.00 5.97 4.07 -1.68 0.23 115.31 124.02 1sj9 h LEU 5121Ca 0.54 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.50 1sj9 h LEU 5121Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1sj9 h LEU 5121CO -0.74 0.00 -0.04 1.41 -1.08 0.00 0.00 178.44 177.99 1sj9 n HIS 5122N -2.62 0.38 -0.02 1.13 8.25 0.48 -3.87 115.22 118.96 1sj9 n HIS 5122Ca -0.02 0.11 0.01 0.00 -0.26 0.00 0.00 57.72 57.57 1sj9 n HIS 5122Cb 0.38 -0.67 -0.07 0.00 1.12 0.00 0.00 29.99 30.75 1sj9 n HIS 5122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sj9 n PHE 5123N -1.82 0.00 -3.59 4.41 3.01 0.78 -5.09 117.46 115.16 1sj9 n PHE 5123Ca 0.06 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.45 1sj9 n PHE 5123Cb 0.38 -0.26 -0.04 0.00 -0.01 0.00 0.00 39.48 39.54 1sj9 n PHE 5123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1sj9 s ALA 5124N -2.46 -1.98 0.89 4.37 0.00 -1.03 -4.94 121.76 116.61 1sj9 s ALA 5124Ca -0.03 1.62 -0.13 0.00 0.00 0.00 0.00 51.96 53.42 1sj9 s ALA 5124Cb 0.04 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.43 1sj9 s ALA 5124CO 0.35 -0.35 0.59 -2.30 0.00 0.00 0.00 175.76 174.05 1sj9 n PRO 5125N 0.52 -0.15 0.24 0.00 -0.02 -1.26 -4.21 135.00 130.12 1sj9 n PRO 5125Ca -0.07 0.01 0.16 0.00 -2.02 0.00 0.00 63.50 61.58 1sj9 n PRO 5125Cb 0.58 -1.97 0.68 0.00 -0.02 0.00 0.00 33.50 32.77 1sj9 n PRO 5125CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1sj9 h MET 5126N -1.31 0.00 0.00 -0.52 1.85 -1.97 -2.53 114.93 110.45 1sj9 h MET 5126Ca -0.44 0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 58.54 1sj9 h MET 5126Cb 1.29 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.31 1sj9 h MET 5126CO 0.38 0.00 -0.50 0.93 -0.40 0.00 0.00 176.91 177.31 1sj9 h GLU 5127N 0.00 0.00 -6.82 0.39 3.07 -2.03 -3.44 114.58 105.74 1sj9 h GLU 5127Ca 0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 1sj9 h GLU 5127Cb 0.41 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.36 1sj9 h GLU 5127CO 0.00 0.50 0.56 0.12 -1.40 0.00 0.00 179.01 178.79 1sj9 s PHE 5128N -2.98 3.32 0.36 4.33 2.19 -0.95 -4.99 117.98 119.26 1sj9 s PHE 5128Ca 0.04 1.53 -0.25 0.00 0.33 0.00 0.00 56.93 58.58 1sj9 s PHE 5128Cb 0.08 -3.49 -0.10 0.00 -1.31 0.00 0.00 43.02 38.20 1sj9 s PHE 5128CO 0.74 -1.24 0.97 -1.25 1.83 0.00 0.00 175.22 176.28 1sj9 s PRO 5129N -1.46 4.41 -1.21 10.12 0.04 -1.26 -4.91 135.00 140.72 1sj9 s PRO 5129Ca 0.48 1.34 -0.07 0.00 0.04 0.00 0.00 61.00 62.79 1sj9 s PRO 5129Cb -0.36 -2.62 0.21 0.00 0.04 0.00 0.00 34.50 31.78 1sj9 s PRO 5129CO 0.46 0.11 1.84 0.00 0.04 0.00 0.00 177.00 179.45 1sj9 n ALA 5130N 0.17 5.58 -2.88 8.56 0.00 -1.26 -4.72 120.51 125.95 1sj9 n ALA 5130Ca 0.04 -4.45 -0.34 0.00 0.00 0.00 0.00 53.44 48.69 1sj9 n ALA 5130Cb 0.51 -2.72 -0.05 0.00 0.00 0.00 0.00 19.45 17.19 1sj9 n ALA 5130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sj9 s VAL 5131N -1.07 5.42 0.39 0.00 0.11 -1.26 -1.31 120.40 122.69 1sj9 s VAL 5131Ca 0.39 -0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 59.32 1sj9 s VAL 5131Cb 0.10 -3.53 -0.04 0.00 -1.53 0.00 0.00 36.38 31.38 1sj9 s VAL 5131CO 0.01 0.35 0.65 0.00 -3.33 0.00 0.00 175.10 172.79 1sj9 s ALA 5132N -1.30 3.55 0.48 1.54 0.00 0.62 -4.59 121.76 122.06 1sj9 s ALA 5132Ca 0.26 -0.65 -0.21 0.00 0.00 0.00 0.00 51.96 51.36 1sj9 s ALA 5132Cb -0.13 -2.36 -0.07 0.00 0.00 0.00 0.00 23.12 20.56 1sj9 s ALA 5132CO 0.17 -0.09 1.10 0.34 0.00 0.00 0.00 175.76 177.28 1sj9 s ASP 5133N -3.84 6.16 0.03 0.00 2.15 -1.11 -4.94 116.67 115.13 1sj9 s ASP 5133Ca 0.44 2.13 -0.22 0.00 0.43 0.00 0.00 52.55 55.33 1sj9 s ASP 5133Cb -0.10 -2.58 -0.15 0.00 -0.30 0.00 0.00 42.92 39.79 1sj9 s ASP 5133CO 0.38 -0.92 1.41 0.15 -0.17 0.00 0.00 175.17 176.02 1sj9 h PHE 5134N 1.71 0.22 -0.72 -5.34 3.57 -1.98 -1.80 116.94 112.60 1sj9 h PHE 5134Ca -0.49 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 60.93 1sj9 h PHE 5134Cb 1.24 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1sj9 h PHE 5134CO 0.54 0.51 0.34 0.00 -2.23 0.00 0.00 178.31 177.48 1sj9 h ALA 5135N 0.68 0.93 -0.36 2.41 0.00 -1.98 -2.24 119.26 118.70 1sj9 h ALA 5135Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1sj9 h ALA 5135Cb 0.44 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1sj9 h ALA 5135CO 0.01 0.51 0.17 0.00 0.00 0.00 0.00 179.25 179.94 1sj9 h THR 5137N 0.44 0.54 0.00 0.00 2.02 -1.30 -2.20 112.91 112.40 1sj9 h THR 5137Ca 0.12 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1sj9 h THR 5137Cb 0.12 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1sj9 h THR 5137CO -0.02 0.20 -0.08 0.74 0.37 0.00 0.00 175.52 176.73 1sj9 h THR 5138N 0.00 1.09 -0.42 3.16 2.02 -0.75 -1.18 112.91 116.84 1sj9 h THR 5138Ca -0.00 -1.84 0.12 0.00 0.77 0.00 0.00 66.41 65.46 1sj9 h THR 5138Cb 0.66 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 1sj9 h THR 5138CO 0.03 0.37 0.43 0.00 0.37 0.00 0.00 175.52 176.71 1sj9 h ALA 5139N -0.39 2.15 0.00 6.16 0.00 0.36 0.56 119.26 128.09 1sj9 h ALA 5139Ca -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1sj9 h ALA 5139Cb 0.66 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1sj9 h ALA 5139CO -0.01 -0.64 -0.31 -0.07 0.00 0.00 0.00 179.25 178.22 1sj9 h LEU 5140N 0.00 0.00 -0.35 0.00 3.38 -1.45 -3.09 115.31 113.80 1sj9 h LEU 5140Ca 0.20 -0.80 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 1sj9 h LEU 5140Cb 1.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1sj9 h LEU 5140CO -0.00 1.08 0.16 0.58 0.09 0.00 0.00 178.44 180.35 1sj9 h VAL 5141N -1.00 1.17 -0.61 1.22 2.07 0.10 -2.77 116.25 116.43 1sj9 h VAL 5141Ca -0.08 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1sj9 h VAL 5141Cb 0.99 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1sj9 h VAL 5141CO -0.05 0.18 0.36 -0.33 0.02 0.00 0.00 177.57 177.74 1sj9 h GLU 5142N 0.42 0.83 0.00 1.57 4.39 -0.10 -2.56 114.58 119.14 1sj9 h GLU 5142Ca 0.12 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1sj9 h GLU 5142Cb 0.13 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1sj9 h GLU 5142CO -0.01 0.59 0.00 0.00 -1.16 0.00 0.00 179.01 178.43 1sj9 h ALA 5143N 1.55 1.00 0.00 3.43 0.00 -1.41 -1.02 119.26 122.81 1sj9 h ALA 5143Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1sj9 h ALA 5143Cb -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1sj9 h ALA 5143CO -0.04 0.00 -1.29 0.00 0.00 0.00 0.00 179.25 177.92 1sj9 n ALA 5144N -1.86 2.18 -0.04 0.00 0.00 -0.99 -3.85 120.51 115.94 1sj9 n ALA 5144Ca 0.03 -0.43 -0.13 0.00 0.00 0.00 0.00 53.44 52.90 1sj9 n ALA 5144Cb 0.31 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 1sj9 n ALA 5144CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1sj9 h LYS 5145N 0.00 0.30 -2.00 0.00 3.64 -1.08 0.11 116.57 117.54 1sj9 h LYS 5145Ca -0.10 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1sj9 h LYS 5145Cb 1.35 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 1sj9 h LYS 5145CO 0.03 0.75 -0.04 -1.13 -2.27 0.00 0.00 179.45 176.79 1sj9 n SER 5146N -4.57 5.29 0.00 4.20 3.41 -0.44 -2.40 113.62 119.11 1sj9 n SER 5146Ca -0.07 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 1sj9 n SER 5146Cb 0.38 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 1sj9 n SER 5146CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1sj9 n ILE 5147N 1.60 0.00 -2.13 -1.33 5.41 -1.09 -4.98 119.36 116.83 1sj9 n ILE 5147Ca 0.04 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.66 1sj9 n ILE 5147Cb 0.54 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.45 1sj9 n ILE 5147CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sj9 n GLY 5148N 0.00 0.04 3.69 7.39 0.00 0.30 -5.00 105.19 111.61 1sj9 n GLY 5148Ca 0.00 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 1sj9 n GLY 5148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj9 s ALA 5149N -2.63 3.47 -0.64 4.61 0.00 -0.64 -4.96 121.76 120.97 1sj9 s ALA 5149Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 51.96 51.54 1sj9 s ALA 5149Cb 0.00 -2.85 -0.11 0.00 0.00 0.00 0.00 23.12 20.16 1sj9 s ALA 5149CO 0.00 -0.25 2.50 2.41 0.00 0.00 0.00 175.76 180.43 1sj9 n THR 5150N 4.11 -0.06 -3.79 0.00 -1.04 -1.26 -4.71 114.28 107.53 1sj9 n THR 5150Ca -0.03 -0.57 -0.35 0.00 -2.04 0.00 0.00 64.05 61.06 1sj9 n THR 5150Cb 0.51 -2.14 -0.05 0.00 -1.82 0.00 0.00 70.33 66.83 1sj9 n THR 5150CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1sj9 s THR 5151N 11.32 5.34 -0.08 12.58 2.01 -1.26 0.15 115.64 145.70 1sj9 s THR 5151Ca 1.09 0.15 -0.00 0.00 0.31 0.00 0.00 61.69 63.24 1sj9 s THR 5151Cb -0.49 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1sj9 s THR 5151CO 0.33 0.40 -0.05 -1.00 -0.69 0.00 0.00 174.62 173.60 1sj9 s HIS 5152N -1.26 1.13 -0.08 4.92 3.76 0.38 -4.89 115.29 119.25 1sj9 s HIS 5152Ca 0.26 -0.47 -0.02 0.00 -0.15 0.00 0.00 55.06 54.68 1sj9 s HIS 5152Cb -0.13 -1.00 -0.03 0.00 1.11 0.00 0.00 32.58 32.53 1sj9 s HIS 5152CO 0.15 -0.38 0.02 0.08 -0.85 0.00 0.00 174.74 173.76 1sj9 s VAL 5153N 1.52 4.48 -4.08 -0.90 1.01 -1.26 -0.82 120.40 120.35 1sj9 s VAL 5153Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1sj9 s VAL 5153Cb -0.13 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1sj9 s VAL 5153CO -0.05 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1sj9 n GLY 5154N 2.01 -0.51 3.66 4.51 0.00 -0.53 -4.97 105.19 109.36 1sj9 n GLY 5154Ca -0.18 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 1sj9 n GLY 5154CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sj9 s VAL 5155N -4.00 5.05 0.12 1.61 0.11 -1.25 -0.14 120.40 121.89 1sj9 s VAL 5155Ca 0.00 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.15 1sj9 s VAL 5155Cb 0.00 -3.30 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 1sj9 s VAL 5155CO 0.00 0.44 0.13 -0.89 -3.33 0.00 0.00 175.10 171.45 1sj9 s THR 5156N 0.49 4.65 -0.04 5.04 2.01 -1.12 -2.55 115.64 124.12 1sj9 s THR 5156Ca 0.05 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 1sj9 s THR 5156Cb -0.12 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1sj9 s THR 5156CO 0.00 0.00 0.27 0.00 -0.69 0.00 0.00 174.62 174.20 1sj9 s ALA 5157N -1.59 3.81 -0.30 7.40 0.00 -0.87 -0.42 121.76 129.78 1sj9 s ALA 5157Ca 0.31 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.81 1sj9 s ALA 5157Cb -0.11 -2.14 0.16 0.00 0.00 0.00 0.00 23.12 21.03 1sj9 s ALA 5157CO 0.24 0.58 0.40 -1.54 0.00 0.00 0.00 175.76 175.44 1sj9 s SER 5158N -1.27 0.59 0.00 0.00 1.04 -1.23 0.19 113.70 113.03 1sj9 s SER 5158Ca 0.22 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1sj9 s SER 5158Cb -0.14 0.99 0.00 0.00 0.10 0.00 0.00 66.02 66.98 1sj9 s SER 5158CO 0.11 -0.35 0.00 -1.54 0.98 0.00 0.00 173.24 172.44 1sj9 n SER 5159N 5.22 0.58 -2.43 7.02 3.41 -1.17 -2.66 113.62 123.60 1sj9 n SER 5159Ca 0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.33 1sj9 n SER 5159Cb 0.49 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.46 1sj9 n SER 5159CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sj9 n ASP 5160N 0.00 5.57 -3.92 4.04 10.43 -1.25 -4.52 116.55 126.90 1sj9 n ASP 5160Ca 0.00 -3.76 -0.08 0.00 2.57 0.00 0.00 54.79 53.53 1sj9 n ASP 5160Cb 0.00 -0.59 -0.03 0.00 1.84 0.00 0.00 41.12 42.33 1sj9 n ASP 5160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1sj9 s THR 5161N -5.16 0.00 0.00 -3.53 -4.23 -1.26 -5.05 115.64 96.41 1sj9 s THR 5161Ca 0.51 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1sj9 s THR 5161Cb 0.42 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 72.18 1sj9 s THR 5161CO -0.16 -0.00 0.32 0.33 -0.54 0.00 0.00 174.62 174.57 1sj9 n PHE 5162N -0.43 0.00 0.00 3.99 7.35 -1.26 -4.97 117.46 122.15 1sj9 n PHE 5162Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 1sj9 n PHE 5162Cb 0.60 0.10 0.00 0.00 0.35 0.00 0.00 39.48 40.54 1sj9 n PHE 5162CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 1sj9 n TYR 5163N 0.00 -2.16 -3.39 -5.13 9.36 -1.26 -5.10 117.16 109.48 1sj9 n TYR 5163Ca 0.00 0.01 -0.32 0.00 3.32 0.00 0.00 57.90 60.91 1sj9 n TYR 5163Cb 0.52 0.45 -0.05 0.00 -0.63 0.00 0.00 39.34 39.63 1sj9 n TYR 5163CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1sj9 s PRO 5164N -2.00 3.81 0.00 2.98 0.04 -1.26 -3.95 135.00 134.62 1sj9 s PRO 5164Ca 0.00 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1sj9 s PRO 5164Cb 0.00 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1sj9 s PRO 5164CO 0.00 0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.75 1sj9 n GLY 5165N -0.21 0.22 0.00 0.56 0.00 -1.26 -4.90 105.19 99.60 1sj9 n GLY 5165Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1sj9 n GLY 5165CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sj9 n GLN 5166N -1.63 3.91 -0.03 1.61 7.27 -1.25 -4.74 117.38 122.52 1sj9 n GLN 5166Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1sj9 n GLN 5166Cb 0.07 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.70 1sj9 n GLN 5166CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1sj9 n GLU 5167N 0.00 0.13 -0.81 3.69 2.13 -1.22 -4.45 120.64 120.12 1sj9 n GLU 5167Ca 0.00 0.05 -0.34 0.00 0.66 0.00 0.00 57.16 57.53 1sj9 n GLU 5167Cb 0.00 -0.85 0.12 0.00 0.27 0.00 0.00 31.44 30.98 1sj9 n GLU 5167CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1sj9 n ARG 5168N -3.06 -0.75 -3.97 5.31 1.74 -1.26 -4.77 116.66 109.90 1sj9 n ARG 5168Ca -0.11 -0.20 -0.31 0.00 -0.77 0.00 0.00 57.85 56.46 1sj9 n ARG 5168Cb 0.59 -1.53 -0.14 0.00 -1.02 0.00 0.00 32.46 30.36 1sj9 n ARG 5168CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1sj9 s TYR 5169N -2.21 3.54 0.00 -1.55 1.51 -1.26 -4.99 117.35 112.39 1sj9 s TYR 5169Ca 0.51 -3.02 0.00 0.00 -1.01 0.00 0.00 57.07 53.54 1sj9 s TYR 5169Cb -0.11 -2.92 0.00 0.00 -0.11 0.00 0.00 41.96 38.82 1sj9 s TYR 5169CO 0.69 -0.87 0.00 -3.47 -1.11 0.00 0.00 175.55 170.78 1sj9 n ASP 5170N 3.83 0.00 0.01 2.29 -0.08 -1.26 -5.09 116.55 116.26 1sj9 n ASP 5170Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1sj9 n ASP 5170Cb 0.38 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.84 1sj9 n ASP 5170CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1sj9 n THR 5171N 0.00 0.00 -1.64 5.18 -1.04 -1.26 -4.89 114.28 110.62 1sj9 n THR 5171Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1sj9 n THR 5171Cb 0.00 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 1sj9 n THR 5171CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sj9 n TYR 5172N -2.56 0.00 -4.97 -1.42 4.11 -1.26 -5.18 117.16 105.88 1sj9 n TYR 5172Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1sj9 n TYR 5172Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1sj9 n TYR 5172CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1sj9 n SER 5173N 0.52 0.00 0.00 9.48 2.88 -1.26 -4.91 113.62 120.33 1sj9 n SER 5173Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1sj9 n SER 5173Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1sj9 n SER 5173CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sj9 n GLY 5174N 0.00 -0.00 3.68 0.46 0.00 -1.26 -5.09 105.19 102.97 1sj9 n GLY 5174Ca 0.00 -0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.53 1sj9 n GLY 5174CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1sj9 n ARG 5175N -1.86 2.17 -2.06 1.61 3.00 -1.26 -4.90 116.66 113.36 1sj9 n ARG 5175Ca 0.00 0.79 -0.25 0.00 -0.00 0.00 0.00 57.85 58.39 1sj9 n ARG 5175Cb 0.00 -2.66 0.02 0.00 0.00 0.00 0.00 32.46 29.82 1sj9 n ARG 5175CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1sj9 n VAL 5176N 5.27 2.55 -4.89 5.15 0.31 -1.26 -4.84 118.33 120.62 1sj9 n VAL 5176Ca 0.23 -4.28 0.00 0.00 -0.01 0.00 0.00 64.34 60.28 1sj9 n VAL 5176Cb 0.30 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1sj9 n VAL 5176CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1sj9 n VAL 5177N -0.69 0.00 0.05 2.52 3.14 -1.26 -4.70 118.33 117.40 1sj9 n VAL 5177Ca 0.44 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.82 1sj9 n VAL 5177Cb 0.92 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.70 1sj9 n VAL 5177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1sj9 n ARG 5178N -1.57 0.00 -0.35 1.45 0.00 -1.26 -4.86 116.66 110.07 1sj9 n ARG 5178Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 1sj9 n ARG 5178Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 32.46 32.76 1sj9 n ARG 5178CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1sj9 h ARG 5179N 0.00 0.82 -1.94 -0.14 9.65 -1.97 -2.40 114.38 118.40 1sj9 h ARG 5179Ca 0.00 -0.05 -0.74 0.00 -1.10 0.00 0.00 59.98 58.09 1sj9 h ARG 5179Cb 0.00 -0.19 -0.29 0.00 -1.39 0.00 0.00 29.97 28.10 1sj9 h ARG 5179CO 0.00 0.54 0.79 1.19 2.80 0.00 0.00 179.97 185.29 1sj9 n PHE 5180N -4.68 3.04 -4.71 2.20 3.72 -1.26 -4.91 117.46 110.86 1sj9 n PHE 5180Ca 0.21 -2.47 -0.33 0.00 -0.05 0.00 0.00 57.45 54.81 1sj9 n PHE 5180Cb 0.48 -1.02 -0.13 0.00 -0.94 0.00 0.00 39.48 37.87 1sj9 n PHE 5180CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1sj9 s LYS 5181N -4.01 2.98 -1.26 -1.08 2.36 -0.91 -3.37 119.74 114.46 1sj9 s LYS 5181Ca 0.51 -0.62 -0.11 0.00 -2.55 0.00 0.00 55.97 53.20 1sj9 s LYS 5181Cb 0.42 -2.59 0.09 0.00 -1.05 0.00 0.00 37.83 34.70 1sj9 s LYS 5181CO -0.37 0.47 0.47 0.41 1.55 0.00 0.00 175.35 177.88 1sj9 n GLY 5182N 2.78 -0.47 0.10 5.54 0.00 -1.26 -4.81 105.19 107.07 1sj9 n GLY 5182Ca -0.18 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1sj9 n GLY 5182CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sj9 n SER 5183N -2.25 0.42 -0.44 1.61 7.64 -1.26 -4.34 113.62 114.99 1sj9 n SER 5183Ca 0.01 0.01 0.40 0.00 1.01 0.00 0.00 58.87 60.29 1sj9 n SER 5183Cb 0.53 0.67 0.76 0.00 -1.01 0.00 0.00 64.21 65.15 1sj9 n SER 5183CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sj9 h MET 5184N 0.00 0.02 0.15 1.43 -0.00 -1.91 0.39 114.93 115.02 1sj9 h MET 5184Ca -0.54 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.16 1sj9 h MET 5184Cb 2.17 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.77 1sj9 h MET 5184CO 0.01 0.01 -0.07 1.05 -0.00 0.00 0.00 176.91 177.91 1sj9 h GLU 5185N 0.02 -0.20 -0.84 -0.10 4.11 -1.97 -2.64 114.58 112.96 1sj9 h GLU 5185Ca 0.69 0.01 0.00 0.00 0.07 0.00 0.00 59.36 60.14 1sj9 h GLU 5185Cb 2.69 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 31.94 1sj9 h GLU 5185CO -0.04 0.01 0.54 0.93 0.07 0.00 0.00 179.01 180.52 1sj9 h GLU 5186N -0.38 1.11 -0.68 1.06 3.07 -0.49 -1.75 114.58 116.52 1sj9 h GLU 5186Ca -0.02 -0.08 0.07 0.00 -0.50 0.00 0.00 59.36 58.83 1sj9 h GLU 5186Cb 0.30 -0.25 -0.04 0.00 -0.84 0.00 0.00 28.75 27.92 1sj9 h GLU 5186CO 0.03 0.75 0.45 -1.49 -1.40 0.00 0.00 179.01 177.35 1sj9 h TRP 5187N 1.14 0.68 0.06 4.33 -0.00 -1.38 0.29 115.95 121.06 1sj9 h TRP 5187Ca 0.30 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.21 1sj9 h TRP 5187Cb -0.11 -0.22 0.00 0.00 -0.00 0.00 0.00 29.16 28.83 1sj9 h TRP 5187CO -0.01 0.35 -0.03 0.37 -0.00 0.00 0.00 178.44 179.12 1sj9 h GLN 5188N 0.66 -0.08 0.00 0.49 4.15 -0.97 -1.20 115.11 118.17 1sj9 h GLN 5188Ca 0.30 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.72 1sj9 h GLN 5188Cb 0.31 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1sj9 h GLN 5188CO -0.10 0.48 0.00 0.00 -1.93 0.00 0.00 178.83 177.28 1sj9 n ALA 5189N -2.47 2.15 1.30 3.38 0.00 -0.82 -0.47 120.51 123.57 1sj9 n ALA 5189Ca -0.08 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.38 1sj9 n ALA 5189Cb 0.30 -1.33 0.47 0.00 0.00 0.00 0.00 19.45 18.89 1sj9 n ALA 5189CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1sj9 n MET 5190N -1.16 0.76 -0.54 0.00 1.56 0.98 -4.92 117.12 113.80 1sj9 n MET 5190Ca 0.12 -0.38 0.00 0.00 -0.27 0.00 0.00 57.70 57.17 1sj9 n MET 5190Cb 0.12 -1.49 0.00 0.00 2.15 0.00 0.00 33.22 34.00 1sj9 n MET 5190CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1sj9 n GLY 5191N 1.32 0.75 3.71 -5.12 0.00 0.38 -5.05 105.19 101.18 1sj9 n GLY 5191Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1sj9 n GLY 5191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sj9 s VAL 5192N -2.42 2.47 -0.02 1.61 1.01 -0.46 -4.72 120.40 117.87 1sj9 s VAL 5192Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 1sj9 s VAL 5192Cb 0.00 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1sj9 s VAL 5192CO 0.00 -0.18 -0.05 0.23 0.00 0.00 0.00 175.10 175.10 1sj9 n MET 5193N -3.61 0.08 -4.14 2.72 0.00 -1.06 -4.55 117.12 106.57 1sj9 n MET 5193Ca 0.12 0.03 -0.24 0.00 0.00 0.00 0.00 57.70 57.61 1sj9 n MET 5193Cb 0.52 -0.49 -0.07 0.00 0.00 0.00 0.00 33.22 33.18 1sj9 n MET 5193CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1sj9 s ASN 5194N -4.85 4.46 -0.19 7.83 4.22 -1.26 -0.35 114.94 124.81 1sj9 s ASN 5194Ca -0.05 -0.98 -0.02 0.00 -2.14 0.00 0.00 52.86 49.67 1sj9 s ASN 5194Cb 0.01 -0.55 -0.00 0.00 1.28 0.00 0.00 41.25 41.99 1sj9 s ASN 5194CO 0.07 -0.44 -0.11 -0.47 -2.04 0.00 0.00 177.10 174.11 1sj9 s TYR 5195N -2.54 2.87 0.12 1.54 6.04 -1.23 -2.05 117.35 122.10 1sj9 s TYR 5195Ca 0.40 -1.06 0.02 0.00 0.04 0.00 0.00 57.07 56.46 1sj9 s TYR 5195Cb 0.02 -1.99 -0.01 0.00 -1.04 0.00 0.00 41.96 38.94 1sj9 s TYR 5195CO 0.22 -0.54 0.12 -0.85 -1.54 0.00 0.00 175.55 172.96 1sj9 n GLU 5196N 4.43 0.17 0.00 4.97 0.28 0.13 -4.66 120.64 125.95 1sj9 n GLU 5196Ca -0.19 -1.10 0.00 0.00 -0.16 0.00 0.00 57.16 55.71 1sj9 n GLU 5196Cb 0.51 0.94 0.00 0.00 1.43 0.00 0.00 31.44 34.32 1sj9 n GLU 5196CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1sj9 n MET 5197N -0.21 0.00 0.00 3.44 2.81 -1.26 -3.01 117.12 118.88 1sj9 n MET 5197Ca 0.02 -0.34 0.00 0.00 -1.81 0.00 0.00 57.70 55.57 1sj9 n MET 5197Cb 0.21 -0.38 0.00 0.00 -0.71 0.00 0.00 33.22 32.34 1sj9 n MET 5197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1sj9 n GLU 5198N 0.00 3.08 0.08 0.03 4.71 -1.26 -3.91 120.64 123.37 1sj9 n GLU 5198Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 1sj9 n GLU 5198Cb 0.48 -0.67 -0.02 0.00 -1.01 0.00 0.00 31.44 30.22 1sj9 n GLU 5198CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1sj9 h SER 5199N 0.00 -0.28 -0.41 1.62 0.02 -1.93 -2.61 113.55 109.96 1sj9 h SER 5199Ca 0.00 0.02 0.15 0.00 -0.84 0.00 0.00 61.79 61.11 1sj9 h SER 5199Cb 0.00 0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.55 1sj9 h SER 5199CO 0.00 -0.16 0.13 0.00 -1.14 0.00 0.00 176.83 175.67 1sj9 n ALA 5200N -2.28 0.33 -0.00 3.77 0.00 -1.26 0.98 120.51 122.05 1sj9 n ALA 5200Ca -0.03 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.74 1sj9 n ALA 5200Cb 0.11 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.11 1sj9 n ALA 5200CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1sj9 h THR 5201N 0.00 0.92 -0.54 0.00 2.02 -1.89 -2.67 112.91 110.76 1sj9 h THR 5201Ca 0.30 -1.43 0.09 0.00 0.77 0.00 0.00 66.41 66.15 1sj9 h THR 5201Cb 0.75 1.65 -0.11 0.00 -1.74 0.00 0.00 68.15 68.70 1sj9 h THR 5201CO -0.34 0.28 -0.37 0.25 0.37 0.00 0.00 175.52 175.70 1sj9 h LEU 5202N -0.93 -1.28 -0.46 2.58 5.85 0.10 0.42 115.31 121.60 1sj9 h LEU 5202Ca -0.01 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1sj9 h LEU 5202Cb 0.54 0.60 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1sj9 h LEU 5202CO 0.02 -0.32 0.28 -0.07 -0.34 0.00 0.00 178.44 178.01 1sj9 h LEU 5203N -0.21 0.54 -0.26 2.25 3.38 -0.74 -2.20 115.31 118.07 1sj9 h LEU 5203Ca 0.20 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 1sj9 h LEU 5203Cb 0.56 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1sj9 h LEU 5203CO -0.65 0.43 -0.77 0.71 0.09 0.00 0.00 178.44 178.25 1sj9 h THR 5204N 0.61 1.32 0.00 0.22 1.35 -1.01 0.47 112.91 115.88 1sj9 h THR 5204Ca 0.16 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 1sj9 h THR 5204Cb -0.02 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1sj9 h THR 5204CO -0.03 0.64 0.00 1.15 -0.25 0.00 0.00 175.52 177.02 1sj9 n MET 5205N -3.89 0.23 -0.08 4.72 0.00 0.14 -2.57 117.12 115.67 1sj9 n MET 5205Ca -0.06 0.01 -0.13 0.00 0.00 0.00 0.00 57.70 57.51 1sj9 n MET 5205Cb 0.73 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 32.39 1sj9 n MET 5205CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sj9 h ALA 5207N -0.26 1.00 -0.01 0.00 0.00 -0.10 -1.23 119.26 118.67 1sj9 h ALA 5207Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1sj9 h ALA 5207Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1sj9 h ALA 5207CO -0.14 0.00 -0.32 -1.13 0.00 0.00 0.00 179.25 177.66 1sj9 n SER 5208N -2.89 1.04 -0.63 0.00 3.41 -1.06 -4.59 113.62 108.90 1sj9 n SER 5208Ca -0.01 -1.02 0.06 0.00 -0.26 0.00 0.00 58.87 57.64 1sj9 n SER 5208Cb 0.16 0.64 0.18 0.00 -0.26 0.00 0.00 64.21 64.93 1sj9 n SER 5208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sj9 n GLN 5209N -0.55 1.37 -3.38 4.33 6.02 -0.97 -4.99 117.38 119.20 1sj9 n GLN 5209Ca 0.04 -3.06 -0.24 0.00 -0.01 0.00 0.00 57.00 53.73 1sj9 n GLN 5209Cb 0.21 -1.42 0.05 0.00 1.02 0.00 0.00 30.24 30.10 1sj9 n GLN 5209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sj9 n GLY 5210N -0.97 -0.53 2.97 1.08 0.00 -1.16 -4.97 105.19 101.61 1sj9 n GLY 5210Ca 0.17 0.18 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 1sj9 n GLY 5210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sj9 s LEU 5211N -6.98 1.48 0.40 0.99 1.43 -0.50 -5.04 118.68 110.47 1sj9 s LEU 5211Ca 0.46 -0.25 -0.23 0.00 -1.03 0.00 0.00 54.13 53.08 1sj9 s LEU 5211Cb -0.21 -0.72 -0.09 0.00 0.03 0.00 0.00 46.19 45.19 1sj9 s LEU 5211CO 0.57 -0.01 1.01 -0.13 0.23 0.00 0.00 176.35 178.02 1sj9 s ARG 5212N 0.89 4.20 -0.05 1.70 0.52 -0.56 -3.85 118.95 121.81 1sj9 s ARG 5212Ca -0.11 1.39 -0.23 0.00 -0.52 0.00 0.00 55.73 56.27 1sj9 s ARG 5212Cb -0.15 -2.46 0.05 0.00 0.52 0.00 0.00 34.95 32.90 1sj9 s ARG 5212CO 0.01 -0.08 0.50 0.00 0.02 0.00 0.00 175.30 175.75 1sj9 s ALA 5213N -1.79 -1.29 0.39 2.13 0.00 -1.26 0.33 121.76 120.28 1sj9 s ALA 5213Ca 0.58 0.90 0.04 0.00 0.00 0.00 0.00 51.96 53.49 1sj9 s ALA 5213Cb -0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1sj9 s ALA 5213CO 0.23 -0.31 0.16 0.20 0.00 0.00 0.00 175.76 176.05 1sj9 s GLY 5214N -1.09 2.56 -0.30 0.00 0.00 0.03 -2.74 107.32 105.78 1sj9 s GLY 5214Ca -0.11 -1.39 -0.11 0.00 0.00 0.00 0.00 44.72 43.10 1sj9 s GLY 5214CO 0.06 -1.75 0.82 -0.29 0.00 0.00 0.00 173.10 171.94 1sj9 s MET 5215N -3.65 0.42 -0.09 2.90 1.75 -1.25 -0.05 119.30 119.32 1sj9 s MET 5215Ca 0.27 0.99 0.03 0.00 -1.25 0.00 0.00 55.69 55.74 1sj9 s MET 5215Cb 0.02 0.59 0.00 0.00 2.84 0.00 0.00 34.83 38.29 1sj9 s MET 5215CO 0.17 -0.22 -0.21 0.54 -0.65 0.00 0.00 175.02 174.66 1sj9 s VAL 5216N 2.71 1.81 0.36 10.11 0.11 -0.14 -2.18 120.40 133.18 1sj9 s VAL 5216Ca -0.00 -0.87 0.03 0.00 -2.93 0.00 0.00 61.98 58.21 1sj9 s VAL 5216Cb -0.10 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 33.13 1sj9 s VAL 5216CO -0.18 0.50 0.12 0.00 -3.33 0.00 0.00 175.10 172.21 1sj9 s ALA 5217N 0.48 2.54 0.03 1.54 0.00 -1.22 -2.92 121.76 122.21 1sj9 s ALA 5217Ca -0.17 -1.56 0.06 0.00 0.00 0.00 0.00 51.96 50.29 1sj9 s ALA 5217Cb -0.17 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1sj9 s ALA 5217CO 0.06 -0.37 -0.18 0.20 0.00 0.00 0.00 175.76 175.48 1sj9 s GLY 5218N -3.52 0.96 -0.67 0.00 0.00 0.13 -2.71 107.32 101.51 1sj9 s GLY 5218Ca 0.30 -0.91 -0.19 0.00 0.00 0.00 0.00 44.72 43.92 1sj9 s GLY 5218CO 0.15 -0.84 0.81 0.14 0.00 0.00 0.00 173.10 173.36 1sj9 s VAL 5219N -0.71 4.81 -2.24 1.40 1.01 -1.16 0.16 120.40 123.66 1sj9 s VAL 5219Ca 0.06 -1.12 0.26 0.00 0.00 0.00 0.00 61.98 61.17 1sj9 s VAL 5219Cb -0.08 -4.56 0.31 0.00 0.00 0.00 0.00 36.38 32.05 1sj9 s VAL 5219CO 0.01 -1.22 1.50 2.30 0.00 0.00 0.00 175.10 177.69 1sj9 n ILE 5220N 5.45 0.00 -3.60 2.22 -5.35 0.58 -1.27 119.36 117.38 1sj9 n ILE 5220Ca -0.02 -0.25 -0.07 0.00 -0.27 0.00 0.00 62.75 62.15 1sj9 n ILE 5220Cb 0.44 0.74 -0.05 0.00 -1.74 0.00 0.00 39.64 39.03 1sj9 n ILE 5220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1sj9 s VAL 5221N -2.25 0.00 -0.11 7.28 0.11 -1.19 -4.70 120.40 119.53 1sj9 s VAL 5221Ca 0.28 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.31 1sj9 s VAL 5221Cb 0.20 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1sj9 s VAL 5221CO 0.43 0.00 0.04 0.21 -3.33 0.00 0.00 175.10 172.45 1sj9 s ASN 5222N -1.07 1.96 0.04 3.54 2.47 -1.26 -2.49 114.94 118.13 1sj9 s ASN 5222Ca 0.03 -0.33 -0.34 0.00 0.42 0.00 0.00 52.86 52.63 1sj9 s ASN 5222Cb -0.01 -0.37 -0.19 0.00 -1.45 0.00 0.00 41.25 39.23 1sj9 s ASN 5222CO -0.02 -0.26 1.41 -0.09 -3.72 0.00 0.00 177.10 174.41 1sj9 h ARG 5223N 8.35 -1.15 -0.91 0.43 1.12 -1.94 -2.85 114.38 117.44 1sj9 h ARG 5223Ca -0.16 0.08 0.26 0.00 -1.11 0.00 0.00 59.98 59.05 1sj9 h ARG 5223Cb 1.13 0.26 -0.04 0.00 -0.01 0.00 0.00 29.97 31.31 1sj9 h ARG 5223CO 0.26 -0.77 0.69 0.00 -3.11 0.00 0.00 179.97 177.05 1sj9 h THR 5224N -1.30 0.46 -3.38 0.20 1.03 -1.79 -3.35 112.91 104.78 1sj9 h THR 5224Ca -0.12 0.00 -0.67 0.00 -0.01 0.00 0.00 66.41 65.61 1sj9 h THR 5224Cb 0.92 0.51 -0.17 0.00 -1.07 0.00 0.00 68.15 68.34 1sj9 h THR 5224CO 0.20 0.00 0.11 -1.10 -0.01 0.00 0.00 175.52 174.72 1sj9 s GLN 5225N -4.89 3.19 -1.01 0.00 -0.21 -1.08 -4.96 119.66 110.71 1sj9 s GLN 5225Ca -0.05 -0.64 -0.26 0.00 0.02 0.00 0.00 55.36 54.43 1sj9 s GLN 5225Cb 0.21 -4.03 -0.19 0.00 1.00 0.00 0.00 33.01 30.00 1sj9 s GLN 5225CO 0.74 -1.15 2.18 1.14 -2.12 0.00 0.00 175.29 176.08 1sj9 s GLN 5226N 2.79 1.43 -0.30 2.91 0.00 -1.26 -4.74 119.66 120.49 1sj9 s GLN 5226Ca 0.19 -0.23 -0.17 0.00 -0.00 0.00 0.00 55.36 55.15 1sj9 s GLN 5226Cb -0.17 -4.95 0.18 0.00 0.00 0.00 0.00 33.01 28.08 1sj9 s GLN 5226CO 0.15 -5.05 1.14 -2.00 0.00 0.00 0.00 175.29 169.53 1sj9 s GLU 5227N 8.39 0.17 -0.20 9.60 2.12 -1.26 -5.11 118.70 132.41 1sj9 s GLU 5227Ca 0.83 0.38 -0.29 0.00 0.36 0.00 0.00 54.97 56.25 1sj9 s GLU 5227Cb -0.07 0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.45 1sj9 s GLU 5227CO 0.14 -0.05 1.69 -1.50 -0.54 0.00 0.00 175.26 175.01 1sj9 s ILE 5228N 1.82 3.58 0.00 -3.70 -1.16 -1.26 -4.75 121.20 115.74 1sj9 s ILE 5228Ca -0.04 0.66 0.00 0.00 -0.51 0.00 0.00 60.65 60.76 1sj9 s ILE 5228Cb -0.03 -3.59 0.00 0.00 0.61 0.00 0.00 42.46 39.45 1sj9 s ILE 5228CO -0.15 -0.24 0.00 -0.81 -2.81 0.00 0.00 174.94 170.93 1sj9 n PRO 5229N 7.73 0.43 -4.76 3.50 -0.04 -1.26 -5.02 135.00 135.57 1sj9 n PRO 5229Ca 0.20 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.38 1sj9 n PRO 5229Cb 0.45 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.74 1sj9 n PRO 5229CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1sj9 s ASN 5230N -1.82 2.35 0.26 3.54 3.84 -1.26 -5.02 114.94 116.83 1sj9 s ASN 5230Ca 0.00 -0.41 -0.01 0.00 0.21 0.00 0.00 52.86 52.64 1sj9 s ASN 5230Cb 0.00 -1.07 0.49 0.00 -0.55 0.00 0.00 41.25 40.11 1sj9 s ASN 5230CO 0.00 0.07 1.81 0.00 -2.79 0.00 0.00 177.10 176.19 1sj9 h ALA 5231N 6.98 1.33 -0.21 1.71 0.00 -1.96 -2.13 119.26 124.98 1sj9 h ALA 5231Ca -0.27 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 1sj9 h ALA 5231Cb 1.20 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1sj9 h ALA 5231CO 0.48 0.11 -0.69 1.49 0.00 0.00 0.00 179.25 180.64 1sj9 h GLU 5232N 0.84 0.83 -0.52 0.00 4.57 -2.00 -2.95 114.58 115.35 1sj9 h GLU 5232Ca 0.45 -0.61 0.12 0.00 -1.18 0.00 0.00 59.36 58.14 1sj9 h GLU 5232Cb 0.47 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 1sj9 h GLU 5232CO -0.28 1.23 0.36 1.15 -1.18 0.00 0.00 179.01 180.30 1sj9 h THR 5233N 0.60 0.82 -0.04 0.32 2.02 -1.82 0.32 112.91 115.12 1sj9 h THR 5233Ca -0.03 -0.06 -0.18 0.00 0.77 0.00 0.00 66.41 66.91 1sj9 h THR 5233Cb 1.31 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1sj9 h THR 5233CO 0.15 0.03 -0.76 0.24 0.37 0.00 0.00 175.52 175.55 1sj9 h MET 5234N 0.17 0.30 -0.33 6.66 2.86 -1.28 1.79 114.93 125.11 1sj9 h MET 5234Ca 0.25 -0.26 -0.18 0.00 -2.06 0.00 0.00 59.70 57.45 1sj9 h MET 5234Cb 0.75 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 1sj9 h MET 5234CO -0.04 0.93 -0.48 0.87 1.06 0.00 0.00 176.91 179.25 1sj9 h LYS 5235N 0.20 0.91 0.12 1.72 6.56 -0.89 -0.93 116.57 124.26 1sj9 h LYS 5235Ca -0.03 -0.53 -0.01 0.00 -1.06 0.00 0.00 60.65 59.02 1sj9 h LYS 5235Cb 1.34 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 33.05 1sj9 h LYS 5235CO 0.12 1.18 -0.06 0.37 -2.06 0.00 0.00 179.45 179.01 1sj9 h GLN 5236N 0.71 -0.15 -0.92 3.15 4.15 -0.10 -2.43 115.11 119.52 1sj9 h GLN 5236Ca 0.03 0.01 0.24 0.00 0.77 0.00 0.00 58.65 59.70 1sj9 h GLN 5236Cb 1.08 0.03 -0.17 0.00 0.21 0.00 0.00 27.48 28.64 1sj9 h GLN 5236CO 0.11 -0.10 0.02 1.15 -1.93 0.00 0.00 178.83 178.08 1sj9 h THR 5237N -0.16 0.12 0.18 2.39 2.02 0.27 0.12 112.91 117.85 1sj9 h THR 5237Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1sj9 h THR 5237Cb 0.12 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1sj9 h THR 5237CO 0.03 0.01 -0.33 -0.08 0.37 0.00 0.00 175.52 175.51 1sj9 h GLU 5238N 0.05 -0.53 -0.96 6.66 4.81 -1.20 -2.95 114.58 120.45 1sj9 h GLU 5238Ca 0.54 0.04 0.21 0.00 -0.13 0.00 0.00 59.36 60.02 1sj9 h GLU 5238Cb 1.06 0.12 -0.18 0.00 0.63 0.00 0.00 28.75 30.38 1sj9 h GLU 5238CO -0.84 -0.36 -0.16 0.43 -0.73 0.00 0.00 179.01 177.35 1sj9 n SER 5239N -4.36 -0.28 0.06 1.04 7.64 0.37 -0.90 113.62 117.20 1sj9 n SER 5239Ca -0.06 1.65 -0.01 0.00 1.01 0.00 0.00 58.87 61.46 1sj9 n SER 5239Cb 0.28 -0.53 0.27 0.00 -1.01 0.00 0.00 64.21 63.22 1sj9 n SER 5239CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1sj9 h HIS 5240N 0.00 0.38 -0.46 1.43 3.86 -1.33 -1.16 115.15 117.87 1sj9 h HIS 5240Ca 0.50 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 59.50 1sj9 h HIS 5240Cb 0.85 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 1sj9 h HIS 5240CO -0.67 0.56 -0.24 0.00 0.86 0.00 0.00 177.93 178.44 1sj9 h ALA 5241N 1.45 0.65 0.29 2.45 0.00 -0.85 0.21 119.26 123.46 1sj9 h ALA 5241Ca 0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1sj9 h ALA 5241Cb 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1sj9 h ALA 5241CO 0.04 0.66 -0.14 0.28 0.00 0.00 0.00 179.25 180.09 1sj9 h VAL 5242N 0.83 0.73 -0.40 0.00 2.07 -0.87 0.59 116.25 119.20 1sj9 h VAL 5242Ca 0.10 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1sj9 h VAL 5242Cb 0.83 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1sj9 h VAL 5242CO 0.07 0.02 0.16 0.50 0.02 0.00 0.00 177.57 178.34 1sj9 h LYS 5243N -0.43 0.61 -0.73 1.57 1.63 -1.19 -0.17 116.57 117.85 1sj9 h LYS 5243Ca -0.04 -0.11 0.08 0.00 -0.85 0.00 0.00 60.65 59.73 1sj9 h LYS 5243Cb 0.33 -0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 31.80 1sj9 h LYS 5243CO 0.06 0.57 0.40 0.82 -3.45 0.00 0.00 179.45 177.86 1sj9 h ILE 5244N 0.51 0.93 0.13 2.00 2.04 -0.28 0.66 117.51 123.49 1sj9 h ILE 5244Ca 0.14 -0.25 -0.27 0.00 1.00 0.00 0.00 64.86 65.48 1sj9 h ILE 5244Cb 0.19 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1sj9 h ILE 5244CO -0.01 0.13 -1.24 1.62 0.00 0.00 0.00 178.15 178.65 1sj9 h VAL 5245N 0.71 1.50 -0.38 1.67 3.04 0.37 -1.69 116.25 121.47 1sj9 h VAL 5245Ca 0.34 -3.06 -0.16 0.00 -1.01 0.00 0.00 66.70 62.80 1sj9 h VAL 5245Cb 0.27 2.94 -0.01 0.00 -2.01 0.00 0.00 31.29 32.49 1sj9 h VAL 5245CO -0.22 0.89 -0.40 0.58 -1.01 0.00 0.00 177.57 177.42 1sj9 h VAL 5246N 0.08 1.27 0.00 1.51 2.07 -0.78 0.40 116.25 120.79 1sj9 h VAL 5246Ca -0.13 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 65.80 1sj9 h VAL 5246Cb 1.97 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1sj9 h VAL 5246CO 0.20 0.53 -0.08 -0.33 0.02 0.00 0.00 177.57 177.91 1sj9 h GLU 5247N 0.76 0.00 0.00 1.57 4.39 0.28 -0.68 114.58 120.91 1sj9 h GLU 5247Ca 0.06 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1sj9 h GLU 5247Cb 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1sj9 h GLU 5247CO 0.10 0.08 -0.15 0.00 -1.16 0.00 0.00 179.01 177.88 1sj9 h ALA 5248N 1.92 0.01 -0.87 3.43 0.00 -0.70 -3.24 119.26 119.82 1sj9 h ALA 5248Ca -0.00 -0.45 0.13 0.00 0.00 0.00 0.00 54.91 54.60 1sj9 h ALA 5248Cb 0.57 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1sj9 h ALA 5248CO 0.01 0.01 0.56 0.00 0.00 0.00 0.00 179.25 179.83 1sj9 h ALA 5249N 0.22 1.82 0.04 0.00 0.00 -0.60 -2.90 119.26 117.84 1sj9 h ALA 5249Ca -0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sj9 h ALA 5249Cb 0.93 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1sj9 h ALA 5249CO 0.03 -0.05 -0.28 0.00 0.00 0.00 0.00 179.25 178.96 1sj9 h ARG 5250N 0.70 -0.36 -0.07 0.00 2.47 -1.15 -2.88 114.38 113.08 1sj9 h ARG 5250Ca 0.43 0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 59.12 1sj9 h ARG 5250Cb 0.67 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.06 1sj9 h ARG 5250CO -0.19 -0.24 -0.20 0.00 0.56 0.00 0.00 179.97 179.90 1sj9 h ARG 5251N -0.37 0.11 -2.35 0.04 -0.00 -1.62 -3.32 114.38 106.86 1sj9 h ARG 5251Ca 0.00 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.98 59.40 1sj9 h ARG 5251Cb 0.38 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.32 1sj9 h ARG 5251CO -0.16 0.32 0.08 1.28 0.00 0.00 0.00 179.97 181.48 1sj9 n LEU 5252N -4.25 2.22 0.00 3.04 4.77 -1.09 -5.15 117.00 116.55 1sj9 n LEU 5252Ca -0.02 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 1sj9 n LEU 5252Cb 0.29 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1sj9 n LEU 5252CO 0.38 0.43 0.00 0.18 -1.33 0.00 0.00 177.39 177.04