#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rj3 h ASP 5005N 0.00 0.00 -2.69 -3.46 3.45 -1.61 -3.48 116.42 108.63 2rj3 h ASP 5005Ca 0.00 -0.11 -0.53 0.00 0.43 0.00 0.00 57.03 56.83 2rj3 h ASP 5005Cb 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 38.63 2rj3 h ASP 5005CO 0.00 0.05 -0.62 0.68 -1.57 0.00 0.00 179.24 177.78 2rj3 s VAL 5006N -3.23 1.56 0.03 -1.35 -7.23 -1.23 -5.05 120.40 103.89 2rj3 s VAL 5006Ca 0.04 -2.04 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 2rj3 s VAL 5006Cb 0.11 -2.76 -0.24 0.00 0.56 0.00 0.00 36.38 34.05 2rj3 s VAL 5006CO 0.73 -0.08 0.94 -0.26 -0.31 0.00 0.00 175.10 176.12 2rj3 h PHE 5007N 2.06 0.18 0.00 2.82 0.04 -1.95 -3.41 116.94 116.68 2rj3 h PHE 5007Ca -0.41 -0.13 -0.14 0.00 2.80 0.00 0.00 57.97 60.08 2rj3 h PHE 5007Cb 1.24 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.36 2rj3 h PHE 5007CO 0.65 1.15 -1.51 0.72 -0.60 0.00 0.00 178.31 178.72 2rj3 n HIS 5008N -3.31 0.00 0.22 -0.55 8.25 -1.26 -4.76 115.22 113.81 2rj3 n HIS 5008Ca -0.11 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.45 2rj3 n HIS 5008Cb 1.01 -0.34 0.40 0.00 1.12 0.00 0.00 29.99 32.19 2rj3 n HIS 5008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2rj3 h LEU 5009N -0.14 0.00 -1.25 2.41 3.38 -1.92 -3.44 115.31 114.36 2rj3 h LEU 5009Ca -0.21 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.50 2rj3 h LEU 5009Cb 1.26 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.12 2rj3 h LEU 5009CO -0.08 0.23 -0.49 0.61 0.09 0.00 0.00 178.44 178.80 2rj3 n GLY 5010N 0.34 -0.08 3.38 0.83 0.00 -1.26 -4.64 105.19 103.75 2rj3 n GLY 5010Ca 0.01 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2rj3 n GLY 5010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rj3 s LEU 5011N -5.18 2.56 0.34 0.99 1.43 -1.26 -4.32 118.68 113.24 2rj3 s LEU 5011Ca 0.24 -1.01 0.09 0.00 -1.03 0.00 0.00 54.13 52.42 2rj3 s LEU 5011Cb -0.11 -0.80 -0.06 0.00 0.03 0.00 0.00 46.19 45.25 2rj3 s LEU 5011CO 0.50 -0.10 -0.01 0.42 0.23 0.00 0.00 176.35 177.38 2rj3 s THR 5012N -2.79 2.57 0.47 5.49 -4.23 -1.26 -1.39 115.64 114.50 2rj3 s THR 5012Ca 0.24 -2.02 0.14 0.00 -1.18 0.00 0.00 61.69 58.88 2rj3 s THR 5012Cb -0.02 -2.76 0.22 0.00 1.34 0.00 0.00 72.50 71.27 2rj3 s THR 5012CO 0.09 -0.21 2.05 0.11 -0.54 0.00 0.00 174.62 176.12 2rj3 h LYS 5013N 1.86 0.03 -0.37 3.99 1.57 -1.97 -2.59 116.57 119.09 2rj3 h LYS 5013Ca -0.43 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.28 2rj3 h LYS 5013Cb 1.25 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 2rj3 h LYS 5013CO 0.67 0.13 -0.07 -0.97 -0.57 0.00 0.00 179.45 178.64 2rj3 h ASN 5014N 0.03 0.60 -0.29 0.86 -0.00 -1.95 -2.61 115.58 112.22 2rj3 h ASN 5014Ca 0.01 -0.15 -0.03 0.00 -0.00 0.00 0.00 56.30 56.12 2rj3 h ASN 5014Cb 0.20 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.34 2rj3 h ASN 5014CO 0.01 0.72 0.10 0.44 -0.00 0.00 0.00 177.43 178.70 2rj3 h ASP 5015N 0.58 0.48 1.34 1.15 3.32 -1.86 -2.38 116.42 119.06 2rj3 h ASP 5015Ca 0.11 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2rj3 h ASP 5015Cb 0.48 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2rj3 h ASP 5015CO 0.03 0.48 0.00 -0.07 -1.72 0.00 0.00 179.24 177.96 2rj3 h LEU 5016N 0.52 0.00 -1.31 1.55 4.07 -1.49 -3.48 115.31 115.18 2rj3 h LEU 5016Ca 0.12 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.59 2rj3 h LEU 5016Cb 0.19 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.84 2rj3 h LEU 5016CO -0.01 0.00 -0.82 0.00 -1.08 0.00 0.00 178.44 176.54 2rj3 n GLN 5017N -2.99 -4.24 -1.08 1.13 6.02 -0.90 -1.06 117.38 114.26 2rj3 n GLN 5017Ca 0.02 0.49 -0.03 0.00 -0.01 0.00 0.00 57.00 57.47 2rj3 n GLN 5017Cb 0.38 -5.13 -0.01 0.00 1.02 0.00 0.00 30.24 26.50 2rj3 n GLN 5017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rj3 n GLY 5018N -1.65 0.59 3.76 1.08 0.00 -1.26 -4.72 105.19 102.98 2rj3 n GLY 5018Ca -0.06 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 2rj3 n GLY 5018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 s ALA 5019N -2.03 2.89 0.00 4.61 0.00 -0.23 -4.84 121.76 122.17 2rj3 s ALA 5019Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2rj3 s ALA 5019Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2rj3 s ALA 5019CO 0.00 -1.20 0.00 1.04 0.00 0.00 0.00 175.76 175.60 2rj3 n GLN 5020N -0.83 3.54 -5.16 0.00 6.02 -1.26 -4.16 117.38 115.53 2rj3 n GLN 5020Ca 0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.76 2rj3 n GLN 5020Cb 0.45 -0.44 -0.16 0.00 1.02 0.00 0.00 30.24 31.12 2rj3 n GLN 5020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2rj3 s LEU 5021N -1.30 2.25 -0.03 1.08 0.20 -1.26 -0.29 118.68 119.31 2rj3 s LEU 5021Ca 0.00 -0.43 0.06 0.00 0.69 0.00 0.00 54.13 54.45 2rj3 s LEU 5021Cb 0.00 -1.42 -0.01 0.00 -0.43 0.00 0.00 46.19 44.33 2rj3 s LEU 5021CO 0.00 0.27 -0.21 0.00 -0.29 0.00 0.00 176.35 176.13 2rj3 s ALA 5022N -0.31 1.76 -0.12 5.97 0.00 -0.42 -1.73 121.76 126.91 2rj3 s ALA 5022Ca 0.01 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 2rj3 s ALA 5022Cb -0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 2rj3 s ALA 5022CO 0.02 0.37 0.42 0.42 0.00 0.00 0.00 175.76 177.00 2rj3 s ILE 5023N -0.24 5.20 -0.49 0.00 1.01 0.12 -1.05 121.20 125.76 2rj3 s ILE 5023Ca 0.01 0.84 0.03 0.00 0.00 0.00 0.00 60.65 61.53 2rj3 s ILE 5023Cb -0.11 -3.76 0.14 0.00 0.01 0.00 0.00 42.46 38.75 2rj3 s ILE 5023CO 0.01 0.37 0.28 0.68 0.00 0.00 0.00 174.94 176.28 2rj3 s VAL 5024N 0.40 1.85 0.85 2.92 -7.23 0.95 -1.13 120.40 119.02 2rj3 s VAL 5024Ca 0.23 -2.97 -0.12 0.00 -1.81 0.00 0.00 61.98 57.32 2rj3 s VAL 5024Cb -0.15 -2.28 0.10 0.00 0.56 0.00 0.00 36.38 34.61 2rj3 s VAL 5024CO 0.09 -0.90 1.15 -2.16 -0.31 0.00 0.00 175.10 172.97 2rj3 s PRO 5025N -0.04 1.62 -0.15 4.82 0.04 -1.22 -3.42 135.00 136.65 2rj3 s PRO 5025Ca 0.19 0.27 -0.25 0.00 0.04 0.00 0.00 61.00 61.25 2rj3 s PRO 5025Cb -0.21 -1.90 -0.22 0.00 0.04 0.00 0.00 34.50 32.21 2rj3 s PRO 5025CO -0.03 -1.86 0.60 0.78 0.04 0.00 0.00 177.00 176.53 2rj3 h GLY 5026N -1.26 0.00 -4.96 0.56 0.00 -1.84 -1.12 103.07 94.45 2rj3 h GLY 5026Ca -0.48 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.29 2rj3 h GLY 5026CO 0.63 0.00 0.78 -0.35 0.00 0.00 0.00 176.54 177.61 2rj3 s ASP 5027N -6.23 7.03 0.53 0.19 3.68 -1.26 -1.93 116.67 118.67 2rj3 s ASP 5027Ca -0.18 1.70 0.28 0.00 2.13 0.00 0.00 52.55 56.47 2rj3 s ASP 5027Cb -0.01 -2.55 1.42 0.00 -1.45 0.00 0.00 42.92 40.33 2rj3 s ASP 5027CO 0.60 -0.66 1.95 -0.65 0.13 0.00 0.00 175.17 176.54 2rj3 h PRO 5028N 7.74 0.02 0.00 4.34 0.11 -1.89 -2.60 132.00 139.72 2rj3 h PRO 5028Ca -0.29 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 2rj3 h PRO 5028Cb 1.13 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2rj3 h PRO 5028CO 0.93 0.01 -0.03 0.93 -0.21 0.00 0.00 178.00 179.63 2rj3 h GLU 5029N 0.02 0.00 0.00 1.05 5.08 -1.97 -2.93 114.58 115.83 2rj3 h GLU 5029Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2rj3 h GLU 5029Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2rj3 h GLU 5029CO -0.01 0.03 0.00 -0.09 -1.00 0.00 0.00 179.01 177.94 2rj3 h ARG 5030N 0.00 0.00 0.07 2.33 2.43 -1.87 -3.37 114.38 113.97 2rj3 h ARG 5030Ca -0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2rj3 h ARG 5030Cb 0.81 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 2rj3 h ARG 5030CO 0.00 0.00 -0.32 0.28 -1.51 0.00 0.00 179.97 178.42 2rj3 h VAL 5031N 0.00 0.30 -0.88 0.20 2.07 -1.62 -1.37 116.25 114.95 2rj3 h VAL 5031Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2rj3 h VAL 5031Cb 0.87 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2rj3 h VAL 5031CO 0.00 0.00 0.56 -0.08 0.02 0.00 0.00 177.57 178.07 2rj3 h GLU 5032N -0.52 1.00 -0.59 1.57 4.81 -1.77 -2.26 114.58 116.82 2rj3 h GLU 5032Ca 0.04 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2rj3 h GLU 5032Cb 0.57 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2rj3 h GLU 5032CO -0.22 0.66 0.22 0.87 -0.73 0.00 0.00 179.01 179.81 2rj3 h LYS 5033N 1.03 0.86 -0.22 1.92 1.57 -1.56 0.20 116.57 120.39 2rj3 h LYS 5033Ca 0.37 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.89 2rj3 h LYS 5033Cb 0.12 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2rj3 h LYS 5033CO -0.16 0.72 -0.35 0.82 -0.57 0.00 0.00 179.45 179.91 2rj3 h ILE 5034N 0.85 1.32 -0.41 1.86 2.04 -1.01 -3.20 117.51 118.96 2rj3 h ILE 5034Ca 0.20 -1.56 -0.07 0.00 1.00 0.00 0.00 64.86 64.43 2rj3 h ILE 5034Cb 0.19 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2rj3 h ILE 5034CO -0.02 0.48 -0.05 0.00 0.00 0.00 0.00 178.15 178.57 2rj3 h ALA 5035N 0.62 1.14 0.00 1.87 0.00 -1.00 -2.93 119.26 118.96 2rj3 h ALA 5035Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2rj3 h ALA 5035Cb 0.94 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2rj3 h ALA 5035CO 0.08 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.88 2rj3 n ALA 5036N -2.48 1.23 1.40 0.00 0.00 0.68 -0.99 120.51 120.34 2rj3 n ALA 5036Ca 0.02 0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.72 2rj3 n ALA 5036Cb 0.31 -1.28 0.45 0.00 0.00 0.00 0.00 19.45 18.93 2rj3 n ALA 5036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rj3 n LEU 5037N -2.10 1.55 -4.77 0.00 4.77 -1.11 -4.94 117.00 110.40 2rj3 n LEU 5037Ca -0.00 -0.50 -0.29 0.00 -0.03 0.00 0.00 56.01 55.19 2rj3 n LEU 5037Cb 0.09 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2rj3 n LEU 5037CO 0.11 0.26 -0.16 -0.04 -1.33 0.00 0.00 177.39 176.23 2rj3 s MET 5038N -2.10 2.19 0.37 3.23 -1.94 -0.17 -5.12 119.30 115.76 2rj3 s MET 5038Ca 0.34 -2.13 -0.24 0.00 -1.71 0.00 0.00 55.69 51.95 2rj3 s MET 5038Cb 0.21 -1.80 -0.10 0.00 2.01 0.00 0.00 34.83 35.15 2rj3 s MET 5038CO 0.37 -0.32 0.94 -0.51 -0.01 0.00 0.00 175.02 175.49 2rj3 s ASP 5039N -3.96 7.16 -1.51 3.03 -0.00 -0.23 -4.26 116.67 116.90 2rj3 s ASP 5039Ca 0.25 1.77 -0.03 0.00 -0.00 0.00 0.00 52.55 54.54 2rj3 s ASP 5039Cb 0.02 -2.56 0.03 0.00 -0.00 0.00 0.00 42.92 40.41 2rj3 s ASP 5039CO 0.14 -0.20 0.31 0.29 -0.00 0.00 0.00 175.17 175.72 2rj3 n LYS 5040N 0.03 -2.32 -2.25 8.23 5.02 -1.26 0.08 118.16 125.69 2rj3 n LYS 5040Ca 0.04 0.28 -0.41 0.00 -2.02 0.00 0.00 58.31 56.20 2rj3 n LYS 5040Cb 0.52 -4.26 -0.03 0.00 -0.02 0.00 0.00 35.03 31.24 2rj3 n LYS 5040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2rj3 s PRO 5041N -6.92 4.46 -0.09 1.97 0.04 -1.26 -4.51 135.00 128.68 2rj3 s PRO 5041Ca 0.12 2.07 -0.08 0.00 0.04 0.00 0.00 61.00 63.14 2rj3 s PRO 5041Cb -0.06 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.39 2rj3 s PRO 5041CO 0.94 -0.04 0.24 0.54 0.04 0.00 0.00 177.00 178.71 2rj3 s VAL 5042N -1.15 -0.00 0.39 -0.36 0.11 0.53 -4.99 120.40 114.92 2rj3 s VAL 5042Ca 0.47 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.26 2rj3 s VAL 5042Cb -0.37 -0.34 -0.09 0.00 -1.53 0.00 0.00 36.38 34.05 2rj3 s VAL 5042CO 0.49 0.00 1.32 -0.75 -3.33 0.00 0.00 175.10 172.83 2rj3 s LYS 5043N 0.16 4.07 -0.00 1.54 2.47 -1.26 -0.98 119.74 125.74 2rj3 s LYS 5043Ca -0.00 2.21 -0.00 0.00 -1.56 0.00 0.00 55.97 56.61 2rj3 s LYS 5043Cb -0.02 -2.85 -0.00 0.00 -1.46 0.00 0.00 37.83 33.50 2rj3 s LYS 5043CO 0.00 -0.43 -0.01 1.28 0.16 0.00 0.00 175.35 176.36 2rj3 n LEU 5044N 0.31 0.05 -3.53 5.43 4.32 -0.10 -4.79 117.00 118.68 2rj3 n LEU 5044Ca 0.03 0.01 -0.14 0.00 -0.02 0.00 0.00 56.01 55.88 2rj3 n LEU 5044Cb 0.43 -0.28 -0.05 0.00 -1.62 0.00 0.00 43.42 41.90 2rj3 n LEU 5044CO 0.57 -0.50 0.33 0.00 -1.22 0.00 0.00 177.39 176.58 2rj3 s ALA 5045N -2.55 -1.46 -0.25 -1.18 0.00 -1.12 -5.00 121.76 110.21 2rj3 s ALA 5045Ca -0.01 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 2rj3 s ALA 5045Cb 0.00 0.43 0.09 0.00 0.00 0.00 0.00 23.12 23.63 2rj3 s ALA 5045CO 0.01 -0.54 0.11 0.45 0.00 0.00 0.00 175.76 175.79 2rj3 s SER 5046N -2.01 3.16 -0.05 0.00 0.15 -1.26 -0.18 113.70 113.51 2rj3 s SER 5046Ca -0.05 -1.07 0.02 0.00 0.70 0.00 0.00 55.95 55.55 2rj3 s SER 5046Cb -0.01 -0.36 0.01 0.00 -1.71 0.00 0.00 66.02 63.96 2rj3 s SER 5046CO -0.02 -0.40 -0.10 -1.00 1.20 0.00 0.00 173.24 172.91 2rj3 s HIS 5047N 2.07 1.24 0.00 3.44 3.76 -0.73 -4.99 115.29 120.08 2rj3 s HIS 5047Ca 0.06 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 2rj3 s HIS 5047Cb -0.16 -0.93 0.00 0.00 1.11 0.00 0.00 32.58 32.60 2rj3 s HIS 5047CO -0.26 -0.23 0.00 0.54 -0.85 0.00 0.00 174.74 173.94 2rj3 n ARG 5048N 3.77 0.00 -0.28 1.40 5.12 -1.26 -0.88 116.66 124.53 2rj3 n ARG 5048Ca -0.23 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.71 2rj3 n ARG 5048Cb 0.52 0.00 0.12 0.00 -1.16 0.00 0.00 32.46 31.94 2rj3 n ARG 5048CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2rj3 n GLU 5049N 14.00 2.17 -3.70 5.56 0.00 -1.26 -4.70 120.64 132.70 2rj3 n GLU 5049Ca 0.00 -0.96 -0.37 0.00 0.00 0.00 0.00 57.16 55.83 2rj3 n GLU 5049Cb 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 31.44 29.62 2rj3 n GLU 5049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2rj3 s PHE 5050N -1.52 3.48 -0.23 -1.84 0.40 -0.06 -3.81 117.98 114.41 2rj3 s PHE 5050Ca 0.17 -2.51 -0.08 0.00 -0.60 0.00 0.00 56.93 53.90 2rj3 s PHE 5050Cb 0.13 -3.27 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 2rj3 s PHE 5050CO 0.05 -0.90 0.09 0.99 0.70 0.00 0.00 175.22 176.14 2rj3 s THR 5051N 0.45 4.66 0.06 0.64 2.01 -1.26 -1.78 115.64 120.43 2rj3 s THR 5051Ca 0.13 -0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.16 2rj3 s THR 5051Cb -0.21 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 2rj3 s THR 5051CO -0.04 0.37 -0.25 -0.94 -0.69 0.00 0.00 174.62 173.07 2rj3 s SER 5052N 1.16 3.28 0.02 3.53 1.04 0.74 -1.83 113.70 121.65 2rj3 s SER 5052Ca 0.05 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2rj3 s SER 5052Cb -0.14 -0.32 -0.02 0.00 0.10 0.00 0.00 66.02 65.64 2rj3 s SER 5052CO 0.04 0.24 -0.02 0.26 0.98 0.00 0.00 173.24 174.74 2rj3 s TRP 5053N -0.87 0.22 -0.05 5.02 0.52 0.65 -0.93 118.94 123.50 2rj3 s TRP 5053Ca 0.13 -0.41 0.05 0.00 0.02 0.00 0.00 56.10 55.88 2rj3 s TRP 5053Cb -0.10 -0.15 -0.02 0.00 -1.15 0.00 0.00 33.47 32.04 2rj3 s TRP 5053CO 0.03 -0.14 -0.17 0.50 0.02 0.00 0.00 176.95 177.18 2rj3 s ARG 5054N -1.13 2.46 0.00 4.98 3.52 -0.15 -0.23 118.95 128.41 2rj3 s ARG 5054Ca -0.12 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.72 2rj3 s ARG 5054Cb -0.08 -2.30 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 2rj3 s ARG 5054CO -0.01 0.57 0.00 0.00 -0.81 0.00 0.00 175.30 175.06 2rj3 n ALA 5055N 2.44 0.00 -2.90 6.12 0.00 0.26 -0.35 120.51 126.07 2rj3 n ALA 5055Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 2rj3 n ALA 5055Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 2rj3 n ALA 5055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2rj3 s GLU 5056N -1.71 0.41 -0.16 0.00 2.12 0.11 -0.75 118.70 118.72 2rj3 s GLU 5056Ca 0.00 -0.64 -0.05 0.00 0.36 0.00 0.00 54.97 54.64 2rj3 s GLU 5056Cb 0.00 -0.12 0.08 0.00 0.26 0.00 0.00 34.13 34.34 2rj3 s GLU 5056CO 0.00 0.01 0.32 -1.17 -0.54 0.00 0.00 175.26 173.88 2rj3 s LEU 5057N -1.40 -0.44 -1.29 2.70 2.96 -0.17 -1.06 118.68 119.99 2rj3 s LEU 5057Ca -0.11 0.68 -0.08 0.00 -0.22 0.00 0.00 54.13 54.40 2rj3 s LEU 5057Cb -0.09 0.95 0.06 0.00 0.50 0.00 0.00 46.19 47.60 2rj3 s LEU 5057CO -0.00 -0.24 0.46 0.47 -1.32 0.00 0.00 176.35 175.71 2rj3 n ASP 5058N 5.37 -3.97 0.00 3.68 10.43 -1.26 -0.77 116.55 130.02 2rj3 n ASP 5058Ca -0.07 -0.32 0.00 0.00 2.57 0.00 0.00 54.79 56.97 2rj3 n ASP 5058Cb 0.50 -3.28 0.00 0.00 1.84 0.00 0.00 41.12 40.17 2rj3 n ASP 5058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2rj3 n GLY 5059N -1.18 0.64 3.40 0.44 0.00 -1.26 -5.04 105.19 102.19 2rj3 n GLY 5059Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2rj3 n GLY 5059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rj3 s LYS 5060N -0.08 3.29 0.26 1.61 -0.14 0.05 -5.10 119.74 119.62 2rj3 s LYS 5060Ca 0.00 -0.67 -0.30 0.00 -1.36 0.00 0.00 55.97 53.64 2rj3 s LYS 5060Cb 0.00 -2.62 -0.10 0.00 -1.68 0.00 0.00 37.83 33.44 2rj3 s LYS 5060CO 0.00 0.27 1.30 0.00 -0.76 0.00 0.00 175.35 176.16 2rj3 s ALA 5061N 0.20 3.51 -0.01 5.17 0.00 -1.26 -1.00 121.76 128.36 2rj3 s ALA 5061Ca -0.07 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.10 2rj3 s ALA 5061Cb -0.15 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 2rj3 s ALA 5061CO 0.05 -0.55 -0.18 0.08 0.00 0.00 0.00 175.76 175.16 2rj3 s VAL 5062N -0.51 1.44 -0.11 0.00 1.01 0.07 -4.16 120.40 118.15 2rj3 s VAL 5062Ca 0.53 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 2rj3 s VAL 5062Cb -0.38 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2rj3 s VAL 5062CO 0.44 0.39 0.07 -0.63 0.00 0.00 0.00 175.10 175.38 2rj3 s ILE 5063N -0.45 4.91 -0.17 2.22 -1.09 -0.71 -0.58 121.20 125.34 2rj3 s ILE 5063Ca 0.07 -0.02 0.01 0.00 -2.23 0.00 0.00 60.65 58.48 2rj3 s ILE 5063Cb -0.07 -3.12 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 2rj3 s ILE 5063CO -0.01 0.60 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.42 2rj3 s VAL 5064N -0.81 1.96 -0.02 2.92 1.01 0.68 0.15 120.40 126.29 2rj3 s VAL 5064Ca 0.13 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2rj3 s VAL 5064Cb -0.12 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.51 2rj3 s VAL 5064CO 0.03 0.52 0.03 0.00 0.00 0.00 0.00 175.10 175.68 2rj3 s SER 5066N 0.54 7.00 -0.09 0.00 1.04 -0.76 -3.38 113.70 118.04 2rj3 s SER 5066Ca -0.04 1.47 0.18 0.00 0.48 0.00 0.00 55.95 58.03 2rj3 s SER 5066Cb -0.06 -2.44 -0.26 0.00 0.10 0.00 0.00 66.02 63.35 2rj3 s SER 5066CO -0.02 -0.10 0.26 0.35 0.98 0.00 0.00 173.24 174.71 2rj3 n THR 5067N 0.21 0.54 0.00 2.02 -2.24 -0.42 -4.39 114.28 110.00 2rj3 n THR 5067Ca 0.01 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2rj3 n THR 5067Cb 0.52 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 2rj3 n THR 5067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rj3 n GLY 5068N 1.63 -0.88 3.68 3.38 0.00 -0.81 -3.52 105.19 108.67 2rj3 n GLY 5068Ca -0.15 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 2rj3 n GLY 5068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rj3 s ILE 5069N -1.15 4.60 0.00 -0.61 1.01 -1.26 -4.69 121.20 119.09 2rj3 s ILE 5069Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.54 2rj3 s ILE 5069Cb 0.00 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2rj3 s ILE 5069CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.52 2rj3 n GLY 5070N 3.22 2.37 0.23 6.18 0.00 -1.25 -4.64 105.19 111.30 2rj3 n GLY 5070Ca 0.10 -1.92 -0.06 0.00 0.00 0.00 0.00 46.02 44.13 2rj3 n GLY 5070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2rj3 h GLY 5071N 0.00 0.80 0.83 -0.02 0.00 -1.87 -2.12 103.07 100.69 2rj3 h GLY 5071Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.05 2rj3 h GLY 5071CO 0.00 0.28 -0.06 -2.55 0.00 0.00 0.00 176.54 174.21 2rj3 h PRO 5072N 0.75 -0.10 -0.40 4.80 0.11 -1.94 0.19 132.00 135.42 2rj3 h PRO 5072Ca 0.21 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.37 2rj3 h PRO 5072Cb -0.07 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.02 2rj3 h PRO 5072CO -0.05 -0.06 0.17 1.03 -0.21 0.00 0.00 178.00 178.88 2rj3 h SER 5073N -0.10 0.23 -0.55 -2.05 0.87 -1.82 -2.87 113.55 107.27 2rj3 h SER 5073Ca 0.03 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2rj3 h SER 5073Cb 0.14 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 2rj3 h SER 5073CO -0.07 0.17 0.34 0.74 -0.53 0.00 0.00 176.83 177.48 2rj3 h THR 5074N 0.36 1.09 -0.24 2.23 2.02 -1.02 -2.88 112.91 114.47 2rj3 h THR 5074Ca 0.18 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.15 2rj3 h THR 5074Cb 0.12 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2rj3 h THR 5074CO -0.15 0.13 0.16 0.77 0.37 0.00 0.00 175.52 176.80 2rj3 h SER 5075N 0.69 0.16 -0.02 4.18 4.64 -0.40 -0.70 113.55 122.10 2rj3 h SER 5075Ca 0.21 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 2rj3 h SER 5075Cb -0.02 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2rj3 h SER 5075CO -0.07 0.11 -0.05 0.40 -0.87 0.00 0.00 176.83 176.35 2rj3 h ILE 5076N 0.18 1.45 0.24 0.95 2.04 -1.38 -2.60 117.51 118.39 2rj3 h ILE 5076Ca 0.10 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 2rj3 h ILE 5076Cb 0.18 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 2rj3 h ILE 5076CO -0.02 0.37 -0.11 0.00 0.00 0.00 0.00 178.15 178.39 2rj3 h ALA 5077N 0.43 -0.32 -0.78 1.87 0.00 -1.27 -1.87 119.26 117.33 2rj3 h ALA 5077Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2rj3 h ALA 5077Cb 0.63 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2rj3 h ALA 5077CO 0.01 -0.68 0.40 0.28 0.00 0.00 0.00 179.25 179.27 2rj3 h VAL 5078N -0.32 1.24 0.02 0.00 2.07 -1.27 -0.62 116.25 117.38 2rj3 h VAL 5078Ca -0.03 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 2rj3 h VAL 5078Cb 0.24 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2rj3 h VAL 5078CO 0.05 0.28 -0.01 -0.08 0.02 0.00 0.00 177.57 177.83 2rj3 h GLU 5079N 1.10 -0.03 -0.04 1.57 4.57 -1.35 -1.55 114.58 118.86 2rj3 h GLU 5079Ca 0.27 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.31 2rj3 h GLU 5079Cb 0.08 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2rj3 h GLU 5079CO -0.04 0.10 -0.63 0.93 -1.18 0.00 0.00 179.01 178.19 2rj3 h GLU 5080N -0.15 0.14 -0.86 1.92 5.08 -1.19 -1.56 114.58 117.98 2rj3 h GLU 5080Ca -0.00 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2rj3 h GLU 5080Cb 0.14 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2rj3 h GLU 5080CO 0.00 0.73 0.42 -0.07 -1.00 0.00 0.00 179.01 179.09 2rj3 h LEU 5081N 0.10 1.12 -0.95 1.33 4.07 -1.09 -2.67 115.31 117.21 2rj3 h LEU 5081Ca -0.01 -0.13 -0.10 0.00 0.08 0.00 0.00 57.88 57.72 2rj3 h LEU 5081Cb 1.14 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 2rj3 h LEU 5081CO 0.09 0.94 -0.31 0.00 -1.08 0.00 0.00 178.44 178.08 2rj3 h ALA 5082N 1.23 1.11 -0.04 1.53 0.00 -0.76 -1.68 119.26 120.65 2rj3 h ALA 5082Ca 0.30 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2rj3 h ALA 5082Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2rj3 h ALA 5082CO -0.04 0.56 -0.26 1.96 0.00 0.00 0.00 179.25 181.47 2rj3 h GLN 5083N 0.34 0.06 -0.00 0.00 4.20 -1.07 -2.72 115.11 115.92 2rj3 h GLN 5083Ca 0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2rj3 h GLN 5083Cb 0.71 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2rj3 h GLN 5083CO 0.05 0.32 -0.34 1.28 -0.67 0.00 0.00 178.83 179.48 2rj3 n LEU 5084N -4.20 0.70 0.00 1.46 4.77 -0.98 -4.95 117.00 113.80 2rj3 n LEU 5084Ca -0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2rj3 n LEU 5084Cb 0.33 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2rj3 n LEU 5084CO 0.38 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2rj3 n GLY 5085N 1.41 0.95 3.73 -0.72 0.00 -0.90 -4.78 105.19 104.87 2rj3 n GLY 5085Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2rj3 n GLY 5085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rj3 s ILE 5086N -1.56 3.09 -0.02 -0.61 -1.09 -0.68 -4.55 121.20 115.77 2rj3 s ILE 5086Ca 0.00 0.82 0.04 0.00 -2.23 0.00 0.00 60.65 59.28 2rj3 s ILE 5086Cb 0.00 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.30 2rj3 s ILE 5086CO 0.00 0.09 0.05 0.54 -1.23 0.00 0.00 174.94 174.39 2rj3 n ARG 5087N 3.38 1.67 -4.91 2.79 5.12 0.60 -4.26 116.66 121.05 2rj3 n ARG 5087Ca 0.10 -0.02 -0.33 0.00 -1.93 0.00 0.00 57.85 55.67 2rj3 n ARG 5087Cb 0.42 -1.09 -0.15 0.00 -1.16 0.00 0.00 32.46 30.47 2rj3 n ARG 5087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2rj3 s THR 5088N -2.19 2.69 -0.12 0.55 2.01 -0.71 -0.33 115.64 117.54 2rj3 s THR 5088Ca -0.02 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.22 2rj3 s THR 5088Cb 0.02 -2.10 0.01 0.00 0.01 0.00 0.00 72.50 70.44 2rj3 s THR 5088CO 0.16 0.54 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.07 2rj3 s PHE 5089N 0.37 2.34 -0.24 4.92 0.40 0.15 -1.30 117.98 124.61 2rj3 s PHE 5089Ca -0.13 -1.13 0.02 0.00 -0.60 0.00 0.00 56.93 55.09 2rj3 s PHE 5089Cb -0.17 -1.62 0.05 0.00 0.51 0.00 0.00 43.02 41.79 2rj3 s PHE 5089CO 0.06 -0.54 -0.13 -0.51 0.70 0.00 0.00 175.22 174.80 2rj3 s LEU 5090N 0.87 3.11 -0.10 -0.37 1.43 -0.21 -1.16 118.68 122.24 2rj3 s LEU 5090Ca -0.08 -1.21 -0.16 0.00 -1.03 0.00 0.00 54.13 51.66 2rj3 s LEU 5090Cb -0.15 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2rj3 s LEU 5090CO -0.01 -0.14 0.41 -0.60 0.23 0.00 0.00 176.35 176.23 2rj3 s ARG 5091N 1.15 4.20 -0.12 1.70 3.52 -0.67 -0.03 118.95 128.70 2rj3 s ARG 5091Ca -0.05 0.34 0.03 0.00 -0.13 0.00 0.00 55.73 55.91 2rj3 s ARG 5091Cb -0.18 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 2rj3 s ARG 5091CO -0.07 0.32 -0.20 -1.50 -0.81 0.00 0.00 175.30 173.04 2rj3 s ILE 5092N 0.13 1.90 0.34 4.11 -1.16 -1.22 -1.36 121.20 123.93 2rj3 s ILE 5092Ca 0.23 -0.89 -0.01 0.00 -0.51 0.00 0.00 60.65 59.46 2rj3 s ILE 5092Cb -0.15 -1.68 -0.00 0.00 0.61 0.00 0.00 42.46 41.23 2rj3 s ILE 5092CO 0.09 0.52 0.44 -0.83 -2.81 0.00 0.00 174.94 172.36 2rj3 s GLY 5093N 0.78 1.57 0.09 1.50 0.00 -0.94 -4.11 107.32 106.21 2rj3 s GLY 5093Ca -0.09 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.06 2rj3 s GLY 5093CO -0.00 -1.06 0.22 -0.51 0.00 0.00 0.00 173.10 171.75 2rj3 s THR 5094N -3.14 5.31 0.14 0.90 -4.23 -1.26 -2.01 115.64 111.34 2rj3 s THR 5094Ca 0.32 -0.51 -0.13 0.00 -1.18 0.00 0.00 61.69 60.19 2rj3 s THR 5094Cb 0.00 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.23 2rj3 s THR 5094CO 0.21 0.07 0.35 0.28 -0.54 0.00 0.00 174.62 174.99 2rj3 s THR 5095N -1.57 0.08 -0.29 3.99 -1.32 -0.46 -4.87 115.64 111.20 2rj3 s THR 5095Ca 0.34 -0.89 -0.02 0.00 -1.21 0.00 0.00 61.69 59.91 2rj3 s THR 5095Cb -0.12 -1.40 0.04 0.00 -1.51 0.00 0.00 72.50 69.51 2rj3 s THR 5095CO 0.28 -0.35 -0.00 -0.83 -2.21 0.00 0.00 174.62 171.50 2rj3 s GLY 5096N -2.86 1.73 0.33 6.08 0.00 -1.13 -1.08 107.32 110.39 2rj3 s GLY 5096Ca 0.07 -1.68 -0.28 0.00 0.00 0.00 0.00 44.72 42.83 2rj3 s GLY 5096CO -0.08 0.66 1.18 0.00 0.00 0.00 0.00 173.10 174.86 2rj3 s ALA 5097N 1.29 3.36 -0.39 3.20 0.00 -0.39 -1.39 121.76 127.44 2rj3 s ALA 5097Ca -0.03 1.02 0.08 0.00 0.00 0.00 0.00 51.96 53.02 2rj3 s ALA 5097Cb -0.19 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 2rj3 s ALA 5097CO -0.01 -0.40 0.34 0.44 0.00 0.00 0.00 175.76 176.13 2rj3 n ILE 5098N 0.75 0.00 -3.08 0.00 -5.35 -0.38 -1.87 119.36 109.43 2rj3 n ILE 5098Ca 0.01 -0.33 -0.39 0.00 -0.27 0.00 0.00 62.75 61.76 2rj3 n ILE 5098Cb 0.44 1.01 -0.05 0.00 -1.74 0.00 0.00 39.64 39.30 2rj3 n ILE 5098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2rj3 s GLN 5099N -1.66 4.42 0.39 6.28 -1.52 -1.23 -4.84 119.66 121.51 2rj3 s GLN 5099Ca 0.03 0.89 0.06 0.00 -1.95 0.00 0.00 55.36 54.39 2rj3 s GLN 5099Cb 0.06 -3.39 0.80 0.00 -0.22 0.00 0.00 33.01 30.26 2rj3 s GLN 5099CO 0.30 0.24 2.04 -1.00 -0.25 0.00 0.00 175.29 176.62 2rj3 h PRO 5100N 6.03 0.61 0.00 2.91 0.13 -1.96 -2.08 132.00 137.64 2rj3 h PRO 5100Ca -0.43 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2rj3 h PRO 5100Cb 1.20 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2rj3 h PRO 5100CO 0.72 0.41 0.00 -2.39 -0.23 0.00 0.00 178.00 176.51 2rj3 n HIS 5101N -4.46 0.00 -3.65 1.56 1.44 -1.26 -4.67 115.22 104.18 2rj3 n HIS 5101Ca 0.04 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.37 2rj3 n HIS 5101Cb 0.06 -0.16 -0.12 0.00 0.12 0.00 0.00 29.99 29.89 2rj3 n HIS 5101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2rj3 s ILE 5102N -2.32 4.93 0.29 0.61 1.01 -0.78 -5.09 121.20 119.85 2rj3 s ILE 5102Ca 0.33 0.03 0.07 0.00 0.00 0.00 0.00 60.65 61.08 2rj3 s ILE 5102Cb 0.18 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 2rj3 s ILE 5102CO 0.37 0.28 0.28 0.20 0.00 0.00 0.00 174.94 176.07 2rj3 s ASN 5103N 1.70 5.57 0.10 3.58 0.01 -1.26 -4.81 114.94 119.83 2rj3 s ASN 5103Ca 0.07 -0.30 -0.31 0.00 -0.71 0.00 0.00 52.86 51.61 2rj3 s ASN 5103Cb -0.16 -1.27 -0.09 0.00 0.41 0.00 0.00 41.25 40.14 2rj3 s ASN 5103CO 0.08 -0.20 1.74 -0.69 -1.51 0.00 0.00 177.10 176.52 2rj3 s VAL 5104N -2.19 2.76 0.00 1.60 1.01 -1.26 -1.82 120.40 120.51 2rj3 s VAL 5104Ca 0.37 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2rj3 s VAL 5104Cb -0.07 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2rj3 s VAL 5104CO 0.27 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2rj3 n GLY 5105N 4.10 0.32 3.78 4.51 0.00 -0.47 -4.98 105.19 112.45 2rj3 n GLY 5105Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2rj3 n GLY 5105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rj3 s ASP 5106N -2.41 4.64 -0.19 1.61 1.11 -0.75 -4.76 116.67 115.92 2rj3 s ASP 5106Ca 0.00 1.75 -0.01 0.00 0.18 0.00 0.00 52.55 54.47 2rj3 s ASP 5106Cb 0.00 -2.48 0.01 0.00 1.07 0.00 0.00 42.92 41.51 2rj3 s ASP 5106CO 0.00 -1.94 -0.14 -0.69 1.18 0.00 0.00 175.17 173.59 2rj3 s VAL 5107N -2.94 2.62 -0.20 -1.27 1.01 -0.10 -2.11 120.40 117.40 2rj3 s VAL 5107Ca 0.61 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 2rj3 s VAL 5107Cb -0.16 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2rj3 s VAL 5107CO 0.56 0.50 0.00 -0.76 0.00 0.00 0.00 175.10 175.40 2rj3 s LEU 5108N 1.25 3.27 -0.21 3.92 1.02 0.04 -1.38 118.68 126.59 2rj3 s LEU 5108Ca 0.03 -0.20 -0.05 0.00 0.02 0.00 0.00 54.13 53.93 2rj3 s LEU 5108Cb -0.14 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.22 2rj3 s LEU 5108CO -0.07 0.06 0.00 -0.69 0.02 0.00 0.00 176.35 175.67 2rj3 s VAL 5109N 1.02 3.87 -0.31 -1.59 1.01 -0.25 -0.95 120.40 123.19 2rj3 s VAL 5109Ca 0.02 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 2rj3 s VAL 5109Cb -0.14 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 2rj3 s VAL 5109CO 0.02 0.41 0.75 -0.89 0.00 0.00 0.00 175.10 175.39 2rj3 s THR 5110N 1.23 4.82 -0.03 3.92 2.01 -0.41 -2.20 115.64 124.98 2rj3 s THR 5110Ca 0.03 1.06 -0.22 0.00 0.31 0.00 0.00 61.69 62.88 2rj3 s THR 5110Cb -0.15 -4.12 -0.27 0.00 0.01 0.00 0.00 72.50 67.98 2rj3 s THR 5110CO 0.01 -0.25 0.99 0.71 -0.69 0.00 0.00 174.62 175.39 2rj3 h THR 5111N 5.60 1.50 -3.03 -0.82 1.35 -1.40 -3.39 112.91 112.72 2rj3 h THR 5111Ca -0.25 -2.26 0.01 0.00 -0.55 0.00 0.00 66.41 63.36 2rj3 h THR 5111Cb 1.10 2.91 -0.10 0.00 -1.73 0.00 0.00 68.15 70.33 2rj3 h THR 5111CO 0.87 0.64 0.20 0.00 -0.25 0.00 0.00 175.52 176.97 2rj3 s ALA 5112N -2.83 -1.43 0.02 6.62 0.00 -1.26 -0.52 121.76 122.37 2rj3 s ALA 5112Ca -0.14 0.19 0.09 0.00 0.00 0.00 0.00 51.96 52.10 2rj3 s ALA 5112Cb 0.02 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 2rj3 s ALA 5112CO 0.81 -0.85 -0.26 -1.12 0.00 0.00 0.00 175.76 174.34 2rj3 s SER 5113N -2.81 3.19 0.07 0.00 0.01 -0.23 -2.45 113.70 111.47 2rj3 s SER 5113Ca 0.05 -0.54 -0.31 0.00 1.31 0.00 0.00 55.95 56.46 2rj3 s SER 5113Cb -0.02 -0.33 -0.07 0.00 0.21 0.00 0.00 66.02 65.81 2rj3 s SER 5113CO -0.06 0.28 1.38 -0.69 0.41 0.00 0.00 173.24 174.55 2rj3 s VAL 5114N -0.76 3.53 -1.15 3.43 1.01 0.09 -4.38 120.40 122.17 2rj3 s VAL 5114Ca 0.11 1.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.97 2rj3 s VAL 5114Cb -0.10 -3.67 0.13 0.00 0.00 0.00 0.00 36.38 32.74 2rj3 s VAL 5114CO 0.01 0.05 1.43 -0.13 0.00 0.00 0.00 175.10 176.46 2rj3 s ARG 5115N 1.59 3.91 -0.56 2.72 0.52 -1.26 -1.85 118.95 124.03 2rj3 s ARG 5115Ca 0.64 -2.15 0.01 0.00 -0.52 0.00 0.00 55.73 53.70 2rj3 s ARG 5115Cb -0.34 -5.15 0.53 0.00 0.52 0.00 0.00 34.95 30.51 2rj3 s ARG 5115CO 0.29 -1.91 1.98 1.28 0.02 0.00 0.00 175.30 176.96 2rj3 n LEU 5116N 6.69 7.23 0.00 2.53 4.32 -0.77 -4.95 117.00 132.04 2rj3 n LEU 5116Ca 0.36 -3.95 -0.28 0.00 -0.02 0.00 0.00 56.01 52.12 2rj3 n LEU 5116Cb 0.46 -0.92 -0.07 0.00 -1.62 0.00 0.00 43.42 41.27 2rj3 n LEU 5116CO 0.63 1.28 -0.19 -0.90 -1.22 0.00 0.00 177.39 176.98 2rj3 n ASP 5117N -0.97 2.37 -0.02 -1.43 3.85 -1.23 -1.25 116.55 117.87 2rj3 n ASP 5117Ca 0.60 -3.10 -0.02 0.00 -0.71 0.00 0.00 54.79 51.56 2rj3 n ASP 5117Cb 1.08 0.64 -0.03 0.00 -1.35 0.00 0.00 41.12 41.46 2rj3 n ASP 5117CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2rj3 n GLY 5118N -0.72 -0.17 0.22 6.12 0.00 -1.26 -4.75 105.19 104.63 2rj3 n GLY 5118Ca -0.13 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 45.84 2rj3 n GLY 5118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 h ALA 5119N 0.16 1.38 -0.46 4.61 0.00 -1.98 -2.73 119.26 120.24 2rj3 h ALA 5119Ca -0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2rj3 h ALA 5119Cb 1.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2rj3 h ALA 5119CO 0.00 0.43 0.23 0.66 0.00 0.00 0.00 179.25 180.58 2rj3 h SER 5120N 0.19 0.56 0.40 0.00 4.64 -1.86 -1.43 113.55 116.04 2rj3 h SER 5120Ca 0.03 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2rj3 h SER 5120Cb 0.54 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2rj3 h SER 5120CO 0.04 0.47 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.34 2rj3 h LEU 5121N 0.63 0.00 0.00 5.97 3.38 -1.58 -1.36 115.31 122.36 2rj3 h LEU 5121Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2rj3 h LEU 5121Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2rj3 h LEU 5121CO -0.02 0.05 0.00 1.41 0.09 0.00 0.00 178.44 179.97 2rj3 n HIS 5122N -3.37 0.00 0.00 1.13 8.25 -0.54 -3.79 115.22 116.90 2rj3 n HIS 5122Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2rj3 n HIS 5122Cb 0.20 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.07 2rj3 n HIS 5122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2rj3 n PHE 5123N -1.24 0.00 -3.66 4.41 3.01 -0.60 -5.09 117.46 114.29 2rj3 n PHE 5123Ca 0.11 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.42 2rj3 n PHE 5123Cb 0.16 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.55 2rj3 n PHE 5123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2rj3 s ALA 5124N -1.87 -1.27 0.76 4.37 0.00 -0.69 -5.01 121.76 118.05 2rj3 s ALA 5124Ca 0.00 1.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 2rj3 s ALA 5124Cb 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 22.92 2rj3 s ALA 5124CO 0.00 -0.29 1.09 -1.25 0.00 0.00 0.00 175.76 175.31 2rj3 s PRO 5125N -0.77 2.35 0.46 0.00 0.04 -1.26 -3.81 135.00 132.00 2rj3 s PRO 5125Ca -0.08 1.15 0.23 0.00 0.04 0.00 0.00 61.00 62.34 2rj3 s PRO 5125Cb -0.03 -1.91 1.24 0.00 0.04 0.00 0.00 34.50 33.84 2rj3 s PRO 5125CO 0.05 -1.57 1.85 1.98 0.04 0.00 0.00 177.00 179.35 2rj3 h MET 5126N -1.04 0.24 -0.29 4.56 4.05 -1.94 -0.39 114.93 120.12 2rj3 h MET 5126Ca -0.44 -0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.05 2rj3 h MET 5126Cb 1.23 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.96 2rj3 h MET 5126CO 0.52 0.16 0.23 0.93 0.23 0.00 0.00 176.91 178.98 2rj3 h GLU 5127N 0.25 0.00 -6.62 0.39 3.07 -2.03 -3.43 114.58 106.21 2rj3 h GLU 5127Ca 0.48 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.82 2rj3 h GLU 5127Cb 1.47 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.39 2rj3 h GLU 5127CO -0.14 0.00 0.54 0.12 -1.40 0.00 0.00 179.01 178.13 2rj3 s PHE 5128N -4.92 3.47 0.02 4.33 2.19 -0.16 -5.00 117.98 117.91 2rj3 s PHE 5128Ca -0.05 1.43 -0.29 0.00 0.33 0.00 0.00 56.93 58.35 2rj3 s PHE 5128Cb 0.18 -3.39 -0.04 0.00 -1.31 0.00 0.00 43.02 38.45 2rj3 s PHE 5128CO 0.66 -1.09 0.93 -1.25 1.83 0.00 0.00 175.22 176.30 2rj3 s PRO 5129N 0.03 4.58 -1.33 10.12 0.04 -1.26 -4.95 135.00 142.23 2rj3 s PRO 5129Ca 0.53 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.76 2rj3 s PRO 5129Cb -0.31 -3.43 0.03 0.00 0.04 0.00 0.00 34.50 30.83 2rj3 s PRO 5129CO 0.34 0.05 1.96 0.00 0.04 0.00 0.00 177.00 179.40 2rj3 n ALA 5130N 3.53 4.25 -2.71 8.56 0.00 -1.26 -4.73 120.51 128.15 2rj3 n ALA 5130Ca 0.04 -3.78 -0.35 0.00 0.00 0.00 0.00 53.44 49.35 2rj3 n ALA 5130Cb 0.51 -3.57 -0.09 0.00 0.00 0.00 0.00 19.45 16.29 2rj3 n ALA 5130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rj3 s VAL 5131N 4.27 4.44 0.33 0.00 0.11 -1.26 -1.07 120.40 127.23 2rj3 s VAL 5131Ca 0.52 -0.25 -0.26 0.00 -2.93 0.00 0.00 61.98 59.06 2rj3 s VAL 5131Cb 0.08 -2.90 -0.09 0.00 -1.53 0.00 0.00 36.38 31.94 2rj3 s VAL 5131CO 0.02 0.57 1.01 0.00 -3.33 0.00 0.00 175.10 173.37 2rj3 s ALA 5132N -0.94 3.22 0.41 1.54 0.00 0.32 -4.64 121.76 121.66 2rj3 s ALA 5132Ca 0.15 0.68 -0.27 0.00 0.00 0.00 0.00 51.96 52.52 2rj3 s ALA 5132Cb -0.11 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 2rj3 s ALA 5132CO 0.04 -0.03 1.48 0.34 0.00 0.00 0.00 175.76 177.58 2rj3 s ASP 5133N -1.40 6.12 0.18 0.00 -1.08 0.57 -4.90 116.67 116.16 2rj3 s ASP 5133Ca 0.51 3.03 -0.11 0.00 -0.52 0.00 0.00 52.55 55.46 2rj3 s ASP 5133Cb -0.23 -2.66 0.08 0.00 -1.46 0.00 0.00 42.92 38.64 2rj3 s ASP 5133CO 0.30 -1.03 1.69 0.15 0.52 0.00 0.00 175.17 176.80 2rj3 h PHE 5134N 2.70 1.03 -0.62 -5.34 3.57 -1.96 -1.73 116.94 114.59 2rj3 h PHE 5134Ca -0.51 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 60.85 2rj3 h PHE 5134Cb 1.25 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 2rj3 h PHE 5134CO 0.52 0.86 0.31 0.00 -2.23 0.00 0.00 178.31 177.77 2rj3 h ALA 5135N 1.05 0.80 -0.24 2.41 0.00 -1.95 -0.14 119.26 121.19 2rj3 h ALA 5135Ca 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2rj3 h ALA 5135Cb 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2rj3 h ALA 5135CO 0.00 0.36 0.06 0.00 0.00 0.00 0.00 179.25 179.67 2rj3 h THR 5137N 0.21 1.12 0.39 0.00 2.02 -1.21 -0.77 112.91 114.67 2rj3 h THR 5137Ca 0.07 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2rj3 h THR 5137Cb 0.26 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2rj3 h THR 5137CO -0.00 0.12 -0.30 0.74 0.37 0.00 0.00 175.52 176.45 2rj3 h THR 5138N 0.67 0.37 -0.64 3.16 2.02 -0.91 -1.10 112.91 116.48 2rj3 h THR 5138Ca 0.18 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.48 2rj3 h THR 5138Cb -0.07 0.37 -0.09 0.00 -1.74 0.00 0.00 68.15 66.62 2rj3 h THR 5138CO -0.04 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.02 2rj3 h ALA 5139N -0.18 0.79 -0.51 6.16 0.00 -0.92 0.30 119.26 124.90 2rj3 h ALA 5139Ca -0.03 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2rj3 h ALA 5139Cb 0.60 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2rj3 h ALA 5139CO -0.01 -0.28 0.12 -0.07 0.00 0.00 0.00 179.25 179.01 2rj3 h LEU 5140N 0.30 0.78 -0.41 0.00 3.38 -0.97 0.33 115.31 118.73 2rj3 h LEU 5140Ca 0.34 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2rj3 h LEU 5140Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2rj3 h LEU 5140CO -0.40 0.81 -0.10 0.58 0.09 0.00 0.00 178.44 179.42 2rj3 h VAL 5141N 0.71 1.27 -0.44 1.22 2.07 -0.73 -1.53 116.25 118.82 2rj3 h VAL 5141Ca 0.16 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.41 2rj3 h VAL 5141Cb 0.34 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2rj3 h VAL 5141CO 0.00 0.40 -0.01 -0.08 0.02 0.00 0.00 177.57 177.91 2rj3 h GLU 5142N 0.62 0.73 -0.20 1.57 4.57 -0.22 -2.61 114.58 119.04 2rj3 h GLU 5142Ca 0.10 -0.19 -0.17 0.00 -1.18 0.00 0.00 59.36 57.92 2rj3 h GLU 5142Cb 0.63 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2rj3 h GLU 5142CO 0.04 0.74 -0.59 0.00 -1.18 0.00 0.00 179.01 178.03 2rj3 h ALA 5143N 1.31 0.60 -0.18 2.92 0.00 -0.24 -3.06 119.26 120.62 2rj3 h ALA 5143Ca 0.14 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 2rj3 h ALA 5143Cb 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2rj3 h ALA 5143CO 0.02 0.69 -0.40 0.00 0.00 0.00 0.00 179.25 179.57 2rj3 h ALA 5144N 0.86 0.98 0.00 0.00 0.00 -1.04 -2.95 119.26 117.13 2rj3 h ALA 5144Ca 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 2rj3 h ALA 5144Cb 1.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2rj3 h ALA 5144CO 0.12 0.62 -0.55 1.57 0.00 0.00 0.00 179.25 181.00 2rj3 h LYS 5145N 0.34 0.00 -0.22 0.00 2.10 -1.53 -1.98 116.57 115.29 2rj3 h LYS 5145Ca 0.03 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.66 2rj3 h LYS 5145Cb 0.85 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.17 2rj3 h LYS 5145CO 0.07 0.55 0.02 0.77 -2.00 0.00 0.00 179.45 178.86 2rj3 h SER 5146N 0.00 0.29 -0.16 7.07 0.02 -1.41 -2.72 113.55 116.64 2rj3 h SER 5146Ca -0.01 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2rj3 h SER 5146Cb 1.27 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2rj3 h SER 5146CO 0.07 0.32 0.00 2.30 -1.14 0.00 0.00 176.83 178.38 2rj3 n ILE 5147N -4.38 0.28 -2.02 3.27 -5.35 -1.23 -5.00 119.36 104.93 2rj3 n ILE 5147Ca 0.00 -0.64 -0.02 0.00 -0.27 0.00 0.00 62.75 61.82 2rj3 n ILE 5147Cb 0.17 1.11 -0.00 0.00 -1.74 0.00 0.00 39.64 39.18 2rj3 n ILE 5147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rj3 n GLY 5148N 0.96 0.29 3.77 3.28 0.00 -1.03 -5.04 105.19 107.43 2rj3 n GLY 5148Ca 0.12 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 2rj3 n GLY 5148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 s ALA 5149N -2.10 2.70 -0.44 4.61 0.00 -0.76 -4.99 121.76 120.78 2rj3 s ALA 5149Ca 0.00 0.88 -0.28 0.00 0.00 0.00 0.00 51.96 52.56 2rj3 s ALA 5149Cb 0.00 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.76 2rj3 s ALA 5149CO 0.00 -0.83 1.04 0.99 0.00 0.00 0.00 175.76 176.96 2rj3 s THR 5150N -1.71 4.37 -0.05 0.00 2.01 -1.26 -4.77 115.64 114.23 2rj3 s THR 5150Ca 0.73 1.14 0.04 0.00 0.31 0.00 0.00 61.69 63.90 2rj3 s THR 5150Cb -0.26 -4.50 -0.03 0.00 0.01 0.00 0.00 72.50 67.73 2rj3 s THR 5150CO 0.29 -0.84 -0.15 -0.89 -0.69 0.00 0.00 174.62 172.35 2rj3 s THR 5151N 4.04 3.03 -0.07 -0.82 2.01 -1.26 -0.93 115.64 121.64 2rj3 s THR 5151Ca 0.43 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.73 2rj3 s THR 5151Cb -0.09 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.24 2rj3 s THR 5151CO 0.27 0.59 -0.18 -1.00 -0.69 0.00 0.00 174.62 173.61 2rj3 s HIS 5152N -0.70 1.93 -0.22 4.92 3.76 -0.48 -4.97 115.29 119.53 2rj3 s HIS 5152Ca 0.11 -0.69 0.02 0.00 -0.15 0.00 0.00 55.06 54.34 2rj3 s HIS 5152Cb -0.11 -1.32 0.04 0.00 1.11 0.00 0.00 32.58 32.30 2rj3 s HIS 5152CO 0.01 -0.29 -0.15 0.08 -0.85 0.00 0.00 174.74 173.54 2rj3 s VAL 5153N 0.35 2.07 0.00 -0.90 1.01 -1.26 -1.09 120.40 120.57 2rj3 s VAL 5153Ca -0.12 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.60 2rj3 s VAL 5153Cb -0.15 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.19 2rj3 s VAL 5153CO 0.05 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2rj3 n GLY 5154N 4.54 1.04 3.89 4.51 0.00 -0.93 -4.95 105.19 113.28 2rj3 n GLY 5154Ca -0.17 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 2rj3 n GLY 5154CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rj3 s VAL 5155N -1.64 5.19 0.04 1.61 -7.23 -1.26 -1.00 120.40 116.11 2rj3 s VAL 5155Ca 0.00 0.15 0.06 0.00 -1.81 0.00 0.00 61.98 60.38 2rj3 s VAL 5155Cb 0.00 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 2rj3 s VAL 5155CO 0.00 0.18 -0.16 0.42 -0.31 0.00 0.00 175.10 175.23 2rj3 s THR 5156N -1.50 1.28 -0.20 5.32 -4.23 -1.03 -0.26 115.64 115.02 2rj3 s THR 5156Ca 0.36 -1.08 -0.25 0.00 -1.18 0.00 0.00 61.69 59.54 2rj3 s THR 5156Cb -0.13 -1.14 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 2rj3 s THR 5156CO 0.21 0.05 0.85 0.00 -0.54 0.00 0.00 174.62 175.19 2rj3 s ALA 5157N -0.85 3.58 -0.44 3.99 0.00 0.55 -0.73 121.76 127.86 2rj3 s ALA 5157Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 2rj3 s ALA 5157Cb -0.08 -3.28 0.12 0.00 0.00 0.00 0.00 23.12 19.87 2rj3 s ALA 5157CO 0.01 -0.79 0.26 0.45 0.00 0.00 0.00 175.76 175.70 2rj3 s SER 5158N 1.23 5.42 -0.12 0.00 0.15 -0.77 -1.71 113.70 117.90 2rj3 s SER 5158Ca 0.38 -2.02 -0.06 0.00 0.70 0.00 0.00 55.95 54.95 2rj3 s SER 5158Cb -0.16 -1.89 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 2rj3 s SER 5158CO 0.10 -0.59 0.10 -0.55 1.20 0.00 0.00 173.24 173.50 2rj3 s SER 5159N 2.09 6.08 0.00 5.45 0.15 0.13 -1.85 113.70 125.75 2rj3 s SER 5159Ca 0.08 0.36 0.17 0.00 0.70 0.00 0.00 55.95 57.25 2rj3 s SER 5159Cb -0.24 -1.93 0.86 0.00 -1.71 0.00 0.00 66.02 63.00 2rj3 s SER 5159CO -0.03 0.38 1.48 0.47 1.20 0.00 0.00 173.24 176.73 2rj3 n ASP 5160N 2.20 0.00 -4.23 5.45 10.43 -0.38 -4.34 116.55 125.67 2rj3 n ASP 5160Ca -0.19 -0.02 -0.17 0.00 2.57 0.00 0.00 54.79 56.98 2rj3 n ASP 5160Cb 0.54 -0.25 -0.11 0.00 1.84 0.00 0.00 41.12 43.14 2rj3 n ASP 5160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2rj3 s THR 5161N -2.51 1.27 0.07 -3.53 -4.23 -1.26 -5.01 115.64 100.44 2rj3 s THR 5161Ca 0.17 -1.72 0.07 0.00 -1.18 0.00 0.00 61.69 59.03 2rj3 s THR 5161Cb 0.11 -1.52 -0.22 0.00 1.34 0.00 0.00 72.50 72.21 2rj3 s THR 5161CO 0.25 -0.45 1.08 0.15 -0.54 0.00 0.00 174.62 175.11 2rj3 h PHE 5162N 3.50 0.05 0.00 3.99 3.04 -1.98 -3.39 116.94 122.15 2rj3 h PHE 5162Ca -0.39 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.52 2rj3 h PHE 5162Cb 1.19 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2rj3 h PHE 5162CO 0.65 1.04 0.00 0.66 -2.02 0.00 0.00 178.31 178.64 2rj3 n TYR 5163N -3.28 0.00 -0.08 0.41 4.02 -1.26 -4.40 117.16 112.56 2rj3 n TYR 5163Ca -0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.78 2rj3 n TYR 5163Cb 0.98 0.00 0.16 0.00 -0.02 0.00 0.00 39.34 40.46 2rj3 n TYR 5163CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2rj3 h PRO 5164N 0.00 0.73 0.00 -0.72 0.11 -1.87 0.17 132.00 130.42 2rj3 h PRO 5164Ca 0.00 -0.22 -0.02 0.00 0.11 0.00 0.00 66.00 65.87 2rj3 h PRO 5164Cb 0.00 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 2rj3 h PRO 5164CO 0.00 0.80 -0.09 0.78 -0.21 0.00 0.00 178.00 179.27 2rj3 h GLY 5165N 0.97 0.00 -2.60 -0.55 0.00 -1.87 -0.05 103.07 98.97 2rj3 h GLY 5165Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2rj3 h GLY 5165CO 0.03 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.51 2rj3 n GLN 5166N -3.30 2.72 -3.65 4.80 6.02 -0.86 -4.94 117.38 118.17 2rj3 n GLN 5166Ca -0.00 -2.61 -0.22 0.00 -0.01 0.00 0.00 57.00 54.16 2rj3 n GLN 5166Cb 0.31 -1.55 0.05 0.00 1.02 0.00 0.00 30.24 30.07 2rj3 n GLN 5166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2rj3 n GLU 5167N 1.59 -5.95 -3.06 -1.09 2.13 -0.03 -4.91 120.64 109.32 2rj3 n GLU 5167Ca 0.24 0.71 -0.40 0.00 0.66 0.00 0.00 57.16 58.37 2rj3 n GLU 5167Cb 0.61 -5.52 -0.05 0.00 0.27 0.00 0.00 31.44 26.75 2rj3 n GLU 5167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2rj3 s ARG 5168N -5.98 4.43 -0.01 5.31 0.52 -0.06 -4.98 118.95 118.18 2rj3 s ARG 5168Ca 0.21 0.92 0.17 0.00 -0.52 0.00 0.00 55.73 56.51 2rj3 s ARG 5168Cb -0.10 -3.39 -0.22 0.00 0.52 0.00 0.00 34.95 31.75 2rj3 s ARG 5168CO 0.78 0.22 0.54 0.66 0.02 0.00 0.00 175.30 177.51 2rj3 n TYR 5169N 3.17 0.00 -1.21 -0.53 4.02 -1.26 -4.47 117.16 116.87 2rj3 n TYR 5169Ca -0.03 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.51 2rj3 n TYR 5169Cb 0.51 -0.20 -0.02 0.00 -0.02 0.00 0.00 39.34 39.60 2rj3 n TYR 5169CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2rj3 n ASP 5170N -1.76 5.68 -4.34 7.72 8.00 -1.26 -4.27 116.55 126.32 2rj3 n ASP 5170Ca -0.00 -2.57 -0.26 0.00 0.71 0.00 0.00 54.79 52.67 2rj3 n ASP 5170Cb 0.36 -1.38 -0.09 0.00 -0.02 0.00 0.00 41.12 39.99 2rj3 n ASP 5170CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2rj3 s THR 5171N 3.18 0.92 0.13 -3.53 -4.23 -1.26 -5.02 115.64 105.83 2rj3 s THR 5171Ca 0.54 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.83 2rj3 s THR 5171Cb 0.14 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 2rj3 s THR 5171CO -0.03 0.00 1.67 0.22 -0.54 0.00 0.00 174.62 175.94 2rj3 h TYR 5172N 1.81 -0.36 0.03 3.99 5.03 -1.99 -3.07 116.97 122.41 2rj3 h TYR 5172Ca -0.39 0.02 -0.24 0.00 2.58 0.00 0.00 58.73 60.71 2rj3 h TYR 5172Cb 1.27 0.18 -0.02 0.00 1.55 0.00 0.00 36.73 39.71 2rj3 h TYR 5172CO 1.21 -0.21 -1.14 0.66 -1.32 0.00 0.00 178.16 177.36 2rj3 h SER 5173N -0.18 0.10 -0.02 -2.11 4.64 -1.97 -3.47 113.55 110.54 2rj3 h SER 5173Ca 0.09 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2rj3 h SER 5173Cb 0.31 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2rj3 h SER 5173CO -0.23 1.10 -0.01 0.61 -0.87 0.00 0.00 176.83 177.43 2rj3 n GLY 5174N 1.42 0.37 3.61 -0.77 0.00 -1.16 -5.02 105.19 103.64 2rj3 n GLY 5174Ca -0.04 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2rj3 n GLY 5174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rj3 s ARG 5175N -0.76 2.05 -0.04 1.61 1.70 -1.26 -4.91 118.95 117.33 2rj3 s ARG 5175Ca 0.00 -1.73 -0.02 0.00 -0.47 0.00 0.00 55.73 53.51 2rj3 s ARG 5175Cb 0.00 -1.92 0.03 0.00 -0.57 0.00 0.00 34.95 32.49 2rj3 s ARG 5175CO 0.00 0.17 0.09 0.08 -1.08 0.00 0.00 175.30 174.56 2rj3 s VAL 5176N -2.51 -0.05 0.54 4.99 1.01 -1.26 -4.91 120.40 118.21 2rj3 s VAL 5176Ca 0.34 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.30 2rj3 s VAL 5176Cb -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 36.38 36.13 2rj3 s VAL 5176CO 0.19 0.07 0.67 1.33 0.00 0.00 0.00 175.10 177.36 2rj3 n VAL 5177N 4.06 2.51 -0.33 2.92 0.24 -1.26 -4.61 118.33 121.85 2rj3 n VAL 5177Ca -0.25 -0.50 0.09 0.00 -2.04 0.00 0.00 64.34 61.63 2rj3 n VAL 5177Cb 0.52 -0.81 0.19 0.00 -1.47 0.00 0.00 33.84 32.27 2rj3 n VAL 5177CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2rj3 h ARG 5178N 0.52 0.01 -1.06 7.34 2.43 -2.01 0.94 114.38 122.55 2rj3 h ARG 5178Ca -0.45 -0.00 0.28 0.00 -0.81 0.00 0.00 59.98 58.99 2rj3 h ARG 5178Cb 1.39 -0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.83 2rj3 h ARG 5178CO 0.49 0.01 0.68 -0.09 -1.51 0.00 0.00 179.97 179.55 2rj3 h ARG 5179N 0.01 0.37 -0.08 0.20 1.12 -2.02 -1.95 114.38 112.03 2rj3 h ARG 5179Ca 0.51 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.35 2rj3 h ARG 5179Cb 0.90 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.77 2rj3 h ARG 5179CO -0.93 0.25 0.00 1.19 -3.11 0.00 0.00 179.97 177.37 2rj3 n PHE 5180N -4.65 0.09 -2.20 2.20 3.01 0.27 -4.78 117.46 111.41 2rj3 n PHE 5180Ca 0.26 -0.08 -0.42 0.00 1.01 0.00 0.00 57.45 58.22 2rj3 n PHE 5180Cb 0.91 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.35 2rj3 n PHE 5180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2rj3 s LYS 5181N -1.17 4.25 -0.80 -1.08 1.02 -0.73 -2.41 119.74 118.81 2rj3 s LYS 5181Ca 0.19 1.97 0.00 0.00 0.02 0.00 0.00 55.97 58.15 2rj3 s LYS 5181Cb 0.13 -3.70 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 2rj3 s LYS 5181CO 0.18 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 2rj3 n GLY 5182N 3.75 0.92 0.17 -3.33 0.00 -1.26 -4.92 105.19 100.52 2rj3 n GLY 5182Ca 0.14 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 2rj3 n GLY 5182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2rj3 h SER 5183N 0.00 0.62 0.03 1.61 4.64 -1.78 -3.06 113.55 115.62 2rj3 h SER 5183Ca -0.15 -0.50 -0.00 0.00 -0.47 0.00 0.00 61.79 60.66 2rj3 h SER 5183Cb 0.66 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2rj3 h SER 5183CO 0.23 1.30 -0.02 -0.03 -0.87 0.00 0.00 176.83 177.44 2rj3 h MET 5184N 0.27 -0.05 -0.75 4.77 -1.53 -1.91 -1.00 114.93 114.73 2rj3 h MET 5184Ca -0.09 0.00 0.13 0.00 -3.44 0.00 0.00 59.70 56.30 2rj3 h MET 5184Cb 1.61 0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 32.62 2rj3 h MET 5184CO 0.17 0.05 0.50 1.49 0.14 0.00 0.00 176.91 179.26 2rj3 h GLU 5185N -0.13 0.50 -0.17 0.39 4.81 -1.97 -0.11 114.58 117.91 2rj3 h GLU 5185Ca -0.00 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.00 2rj3 h GLU 5185Cb 0.12 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2rj3 h GLU 5185CO 0.01 0.33 -0.69 1.49 -0.73 0.00 0.00 179.01 179.43 2rj3 h GLU 5186N 0.52 0.67 -0.61 1.92 4.81 -1.34 -2.36 114.58 118.19 2rj3 h GLU 5186Ca 0.36 -0.50 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 2rj3 h GLU 5186Cb 0.69 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2rj3 h GLU 5186CO -0.13 1.12 0.05 -1.49 -0.73 0.00 0.00 179.01 177.83 2rj3 h TRP 5187N 0.48 1.12 -0.41 0.92 -0.00 0.07 -2.23 115.95 115.90 2rj3 h TRP 5187Ca -0.02 -0.18 0.03 0.00 -0.00 0.00 0.00 58.89 58.72 2rj3 h TRP 5187Cb 1.28 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.16 30.11 2rj3 h TRP 5187CO 0.07 0.98 0.21 1.96 -0.00 0.00 0.00 178.44 181.66 2rj3 h GLN 5188N 0.94 0.42 0.00 0.49 4.20 -1.05 -1.21 115.11 118.91 2rj3 h GLN 5188Ca 0.18 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 2rj3 h GLN 5188Cb 0.50 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 2rj3 h GLN 5188CO 0.02 0.28 -0.10 0.00 -0.67 0.00 0.00 178.83 178.35 2rj3 h ALA 5189N 1.21 1.36 -0.00 3.87 0.00 -1.30 -2.40 119.26 122.01 2rj3 h ALA 5189Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2rj3 h ALA 5189Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2rj3 h ALA 5189CO -0.12 0.13 -0.33 -1.33 0.00 0.00 0.00 179.25 177.61 2rj3 n MET 5190N -3.74 0.20 -0.21 0.00 2.81 -0.68 -4.94 117.12 110.56 2rj3 n MET 5190Ca -0.02 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 2rj3 n MET 5190Cb 0.21 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 2rj3 n MET 5190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2rj3 n GLY 5191N 1.45 0.80 3.71 3.03 0.00 -0.74 -5.04 105.19 108.39 2rj3 n GLY 5191Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2rj3 n GLY 5191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rj3 s VAL 5192N -2.14 2.25 -0.07 1.61 1.01 -0.54 -4.61 120.40 117.90 2rj3 s VAL 5192Ca 0.00 0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 2rj3 s VAL 5192Cb 0.00 -3.06 -0.23 0.00 0.00 0.00 0.00 36.38 33.09 2rj3 s VAL 5192CO 0.00 0.01 1.05 0.24 0.00 0.00 0.00 175.10 176.40 2rj3 h MET 5193N 7.23 0.04 -3.34 2.72 0.00 -0.96 -3.40 114.93 117.23 2rj3 h MET 5193Ca -0.44 -0.04 -0.05 0.00 0.00 0.00 0.00 59.70 59.18 2rj3 h MET 5193Cb 1.20 0.01 -0.05 0.00 0.00 0.00 0.00 31.60 32.77 2rj3 h MET 5193CO 0.95 0.75 0.10 0.54 0.00 0.00 0.00 176.91 179.25 2rj3 s ASN 5194N -6.00 0.07 -0.13 1.22 4.22 -1.26 -1.25 114.94 111.81 2rj3 s ASN 5194Ca -0.17 -1.02 -0.02 0.00 -2.14 0.00 0.00 52.86 49.51 2rj3 s ASN 5194Cb -0.00 0.73 -0.03 0.00 1.28 0.00 0.00 41.25 43.23 2rj3 s ASN 5194CO 0.69 -1.41 -0.05 -0.31 -2.04 0.00 0.00 177.10 173.98 2rj3 s TYR 5195N -3.24 2.99 0.21 1.54 2.02 -0.49 -0.33 117.35 120.06 2rj3 s TYR 5195Ca 0.18 -0.22 -0.01 0.00 -0.37 0.00 0.00 57.07 56.65 2rj3 s TYR 5195Cb -0.04 -1.87 0.01 0.00 -0.40 0.00 0.00 41.96 39.66 2rj3 s TYR 5195CO 0.11 0.07 0.29 -0.85 -1.57 0.00 0.00 175.55 173.61 2rj3 n GLU 5196N 3.11 0.42 -0.08 -0.62 -0.00 -0.69 -2.85 120.64 119.93 2rj3 n GLU 5196Ca -0.18 -1.65 0.02 0.00 -0.00 0.00 0.00 57.16 55.36 2rj3 n GLU 5196Cb 0.53 1.60 0.03 0.00 -0.00 0.00 0.00 31.44 33.59 2rj3 n GLU 5196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2rj3 n MET 5197N -0.34 1.44 0.00 3.44 2.81 -1.26 -0.70 117.12 122.51 2rj3 n MET 5197Ca 0.00 -1.38 0.00 0.00 -1.81 0.00 0.00 57.70 54.51 2rj3 n MET 5197Cb 0.35 -0.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.96 2rj3 n MET 5197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2rj3 n GLU 5198N -0.49 2.49 -0.25 0.03 4.71 -1.26 -3.41 120.64 122.46 2rj3 n GLU 5198Ca 0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.13 2rj3 n GLU 5198Cb 0.46 -0.64 0.09 0.00 -1.01 0.00 0.00 31.44 30.34 2rj3 n GLU 5198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2rj3 h SER 5199N 0.00 1.03 -0.20 1.62 4.64 -1.94 -2.19 113.55 116.51 2rj3 h SER 5199Ca 0.00 -0.17 0.05 0.00 -0.47 0.00 0.00 61.79 61.19 2rj3 h SER 5199Cb 0.16 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.94 2rj3 h SER 5199CO 0.00 0.94 -0.08 0.00 -0.87 0.00 0.00 176.83 176.81 2rj3 h ALA 5200N 1.20 0.09 0.04 5.18 0.00 -1.86 0.17 119.26 124.07 2rj3 h ALA 5200Ca 0.24 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2rj3 h ALA 5200Cb 0.25 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2rj3 h ALA 5200CO -0.01 -0.51 -0.02 1.15 0.00 0.00 0.00 179.25 179.86 2rj3 h THR 5201N -0.05 1.16 0.07 0.00 2.02 -1.90 -1.90 112.91 112.31 2rj3 h THR 5201Ca 0.11 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.66 2rj3 h THR 5201Cb 0.22 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 2rj3 h THR 5201CO -0.24 0.16 -0.13 0.25 0.37 0.00 0.00 175.52 175.93 2rj3 h LEU 5202N -0.33 -0.36 -0.52 2.58 5.85 -1.24 -1.52 115.31 119.78 2rj3 h LEU 5202Ca -0.00 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2rj3 h LEU 5202Cb 0.30 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2rj3 h LEU 5202CO 0.01 -0.19 0.15 -0.07 -0.34 0.00 0.00 178.44 178.00 2rj3 h LEU 5203N -0.26 0.76 -0.08 2.25 4.07 -0.72 -1.56 115.31 119.78 2rj3 h LEU 5203Ca 0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.76 2rj3 h LEU 5203Cb 0.28 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 2rj3 h LEU 5203CO -0.08 0.78 0.01 0.74 -1.08 0.00 0.00 178.44 178.81 2rj3 h THR 5204N 0.71 1.23 -0.05 0.22 2.02 -1.28 0.00 112.91 115.76 2rj3 h THR 5204Ca 0.17 -0.70 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 2rj3 h THR 5204Cb 0.29 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 2rj3 h THR 5204CO -0.00 0.20 -0.35 0.00 0.37 0.00 0.00 175.52 175.73 2rj3 h MET 5205N -0.13 0.09 0.01 6.66 -0.00 -1.25 -2.04 114.93 118.28 2rj3 h MET 5205Ca 0.02 -0.04 -0.07 0.00 -0.00 0.00 0.00 59.70 59.61 2rj3 h MET 5205Cb 0.30 -0.01 0.01 0.00 -0.00 0.00 0.00 31.60 31.90 2rj3 h MET 5205CO 0.00 0.44 -0.30 0.00 -0.00 0.00 0.00 176.91 177.05 2rj3 h ALA 5207N 0.22 1.49 -0.03 0.00 0.00 -0.91 -0.02 119.26 120.01 2rj3 h ALA 5207Ca -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2rj3 h ALA 5207Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2rj3 h ALA 5207CO 0.06 0.18 -0.01 -1.13 0.00 0.00 0.00 179.25 178.35 2rj3 n SER 5208N -3.98 2.94 -0.07 0.00 3.41 -0.77 -4.31 113.62 110.84 2rj3 n SER 5208Ca -0.02 -1.98 0.03 0.00 -0.26 0.00 0.00 58.87 56.64 2rj3 n SER 5208Cb 0.23 0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.22 2rj3 n SER 5208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rj3 n GLN 5209N 1.29 1.71 -2.17 4.33 6.02 -1.03 -5.00 117.38 122.53 2rj3 n GLN 5209Ca 0.14 -1.54 -0.07 0.00 -0.01 0.00 0.00 57.00 55.52 2rj3 n GLN 5209Cb 0.59 -0.99 -0.00 0.00 1.02 0.00 0.00 30.24 30.86 2rj3 n GLN 5209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rj3 n GLY 5210N -0.60 0.12 3.57 1.08 0.00 -1.07 -5.03 105.19 103.26 2rj3 n GLY 5210Ca 0.04 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 2rj3 n GLY 5210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rj3 s LEU 5211N -1.97 3.09 -0.00 0.99 1.02 -0.05 -5.06 118.68 116.70 2rj3 s LEU 5211Ca 0.01 -0.17 -0.18 0.00 0.02 0.00 0.00 54.13 53.81 2rj3 s LEU 5211Cb -0.00 -1.77 -0.06 0.00 0.02 0.00 0.00 46.19 44.38 2rj3 s LEU 5211CO 0.01 0.29 0.50 -0.13 0.02 0.00 0.00 176.35 177.04 2rj3 s ARG 5212N -1.36 4.15 0.01 1.70 0.52 0.55 -3.89 118.95 120.63 2rj3 s ARG 5212Ca 0.16 0.57 -0.12 0.00 -0.52 0.00 0.00 55.73 55.82 2rj3 s ARG 5212Cb -0.11 -3.29 0.01 0.00 0.52 0.00 0.00 34.95 32.08 2rj3 s ARG 5212CO 0.07 0.51 0.26 0.00 0.02 0.00 0.00 175.30 176.16 2rj3 s ALA 5213N -0.59 -0.60 0.21 2.13 0.00 -1.26 0.32 121.76 121.96 2rj3 s ALA 5213Ca 0.27 0.06 -0.08 0.00 0.00 0.00 0.00 51.96 52.21 2rj3 s ALA 5213Cb -0.17 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 2rj3 s ALA 5213CO 0.15 -0.30 0.32 0.20 0.00 0.00 0.00 175.76 176.13 2rj3 s GLY 5214N -1.64 0.74 -0.05 0.00 0.00 -0.31 -0.32 107.32 105.75 2rj3 s GLY 5214Ca -0.10 -1.09 -0.03 0.00 0.00 0.00 0.00 44.72 43.50 2rj3 s GLY 5214CO 0.01 -0.90 0.12 -0.29 0.00 0.00 0.00 173.10 172.04 2rj3 s MET 5215N -4.04 0.10 0.04 2.90 1.75 -1.26 -1.67 119.30 117.13 2rj3 s MET 5215Ca 0.25 0.23 0.05 0.00 -1.25 0.00 0.00 55.69 54.97 2rj3 s MET 5215Cb 0.03 -0.04 -0.02 0.00 2.84 0.00 0.00 34.83 37.63 2rj3 s MET 5215CO 0.07 -0.08 -0.15 0.54 -0.65 0.00 0.00 175.02 174.75 2rj3 s VAL 5216N 0.50 1.17 0.09 10.11 0.11 -0.47 -1.28 120.40 130.63 2rj3 s VAL 5216Ca -0.04 -1.07 -0.09 0.00 -2.93 0.00 0.00 61.98 57.86 2rj3 s VAL 5216Cb -0.05 -1.06 -0.00 0.00 -1.53 0.00 0.00 36.38 33.74 2rj3 s VAL 5216CO -0.02 -0.01 0.20 0.00 -3.33 0.00 0.00 175.10 171.94 2rj3 s ALA 5217N -0.91 -0.24 0.01 1.54 0.00 -0.13 -2.21 121.76 119.82 2rj3 s ALA 5217Ca 0.02 -0.61 0.05 0.00 0.00 0.00 0.00 51.96 51.42 2rj3 s ALA 5217Cb -0.08 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 2rj3 s ALA 5217CO 0.01 -0.52 -0.13 0.20 0.00 0.00 0.00 175.76 175.32 2rj3 s GLY 5218N -2.86 1.63 -0.12 0.00 0.00 -0.85 -0.78 107.32 104.33 2rj3 s GLY 5218Ca 0.05 -1.08 -0.27 0.00 0.00 0.00 0.00 44.72 43.43 2rj3 s GLY 5218CO -0.11 -0.93 0.88 0.14 0.00 0.00 0.00 173.10 173.08 2rj3 s VAL 5219N -0.90 4.88 -0.10 1.40 1.01 -0.90 -1.35 120.40 124.44 2rj3 s VAL 5219Ca 0.15 1.76 0.06 0.00 0.00 0.00 0.00 61.98 63.95 2rj3 s VAL 5219Cb -0.11 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 2rj3 s VAL 5219CO 0.05 0.06 0.18 2.30 0.00 0.00 0.00 175.10 177.69 2rj3 n ILE 5220N 4.47 0.00 -3.74 2.22 -5.35 -0.24 -1.36 119.36 115.34 2rj3 n ILE 5220Ca 0.05 -0.21 -0.13 0.00 -0.27 0.00 0.00 62.75 62.18 2rj3 n ILE 5220Cb 0.49 0.56 -0.10 0.00 -1.74 0.00 0.00 39.64 38.85 2rj3 n ILE 5220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2rj3 s VAL 5221N -2.18 0.02 -0.18 7.28 0.11 -1.23 -4.85 120.40 119.37 2rj3 s VAL 5221Ca -0.01 -0.17 -0.03 0.00 -2.93 0.00 0.00 61.98 58.84 2rj3 s VAL 5221Cb 0.04 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 2rj3 s VAL 5221CO 0.26 -0.09 -0.05 0.21 -3.33 0.00 0.00 175.10 172.10 2rj3 s ASN 5222N -0.38 4.42 0.00 3.54 3.84 -1.26 -1.26 114.94 123.84 2rj3 s ASN 5222Ca -0.05 -0.29 0.30 0.00 0.21 0.00 0.00 52.86 53.03 2rj3 s ASN 5222Cb -0.03 -1.73 1.66 0.00 -0.55 0.00 0.00 41.25 40.59 2rj3 s ASN 5222CO 0.02 0.08 2.10 0.54 -2.79 0.00 0.00 177.10 177.05 2rj3 n ARG 5223N 4.15 0.66 -0.10 0.43 5.12 -0.78 -3.45 116.66 122.70 2rj3 n ARG 5223Ca -0.18 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.65 2rj3 n ARG 5223Cb 0.52 -1.50 -0.16 0.00 -1.16 0.00 0.00 32.46 30.16 2rj3 n ARG 5223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2rj3 n THR 5224N -1.16 1.39 -4.56 0.55 -2.24 -1.26 -5.03 114.28 101.97 2rj3 n THR 5224Ca 0.18 -0.85 -0.26 0.00 -2.27 0.00 0.00 64.05 60.85 2rj3 n THR 5224Cb 0.18 -0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 67.83 2rj3 n THR 5224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rj3 s GLN 5225N -2.50 1.86 -0.87 -0.78 -2.07 -1.22 -5.07 119.66 109.00 2rj3 s GLN 5225Ca -0.10 -2.06 -0.01 0.00 -1.82 0.00 0.00 55.36 51.37 2rj3 s GLN 5225Cb 0.06 -1.27 0.34 0.00 -1.09 0.00 0.00 33.01 31.05 2rj3 s GLN 5225CO 0.83 -0.15 1.86 1.04 -1.32 0.00 0.00 175.29 177.55 2rj3 n GLN 5226N -0.88 3.71 -2.36 9.60 6.02 -1.26 -4.75 117.38 127.46 2rj3 n GLN 5226Ca -0.05 -4.02 -0.41 0.00 -0.01 0.00 0.00 57.00 52.51 2rj3 n GLN 5226Cb 0.67 -2.33 -0.03 0.00 1.02 0.00 0.00 30.24 29.57 2rj3 n GLN 5226CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2rj3 s GLU 5227N -4.10 3.14 0.02 -1.09 2.56 -1.26 -4.97 118.70 112.99 2rj3 s GLU 5227Ca 0.47 0.30 -0.30 0.00 0.00 0.00 0.00 54.97 55.44 2rj3 s GLU 5227Cb 0.35 -4.19 -0.08 0.00 2.00 0.00 0.00 34.13 32.21 2rj3 s GLU 5227CO -0.30 -2.15 1.86 0.42 -0.56 0.00 0.00 175.26 174.54 2rj3 s ILE 5228N 6.57 3.14 -0.64 -3.70 -1.09 -1.26 -4.83 121.20 119.38 2rj3 s ILE 5228Ca 0.51 0.22 -0.26 0.00 -2.23 0.00 0.00 60.65 58.89 2rj3 s ILE 5228Cb -0.10 -3.14 -0.10 0.00 -1.58 0.00 0.00 42.46 37.53 2rj3 s ILE 5228CO 0.21 -0.02 2.38 -2.84 -1.23 0.00 0.00 174.94 173.45 2rj3 s PRO 5229N 4.16 1.90 0.00 2.79 0.02 -1.26 -5.11 135.00 137.50 2rj3 s PRO 5229Ca 0.83 0.93 0.00 0.00 0.02 0.00 0.00 61.00 62.78 2rj3 s PRO 5229Cb -0.40 -4.68 0.00 0.00 0.02 0.00 0.00 34.50 29.44 2rj3 s PRO 5229CO 0.38 -3.80 0.00 0.09 -0.33 0.00 0.00 177.00 173.34 2rj3 n ASN 5230N 17.03 0.00 0.00 2.53 3.02 -1.26 -4.96 115.26 131.61 2rj3 n ASN 5230Ca 0.41 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 2rj3 n ASN 5230Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 2rj3 n ASN 5230CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2rj3 n GLU 5232N 0.00 0.00 -0.18 3.52 0.00 -1.26 -4.66 120.64 118.06 2rj3 n GLU 5232Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.08 2rj3 n GLU 5232Cb 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 31.44 30.84 2rj3 n GLU 5232CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2rj3 h THR 5233N 0.00 1.19 -0.67 6.31 2.02 -1.99 -2.00 112.91 117.76 2rj3 h THR 5233Ca 0.00 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.68 2rj3 h THR 5233Cb 0.00 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 2rj3 h THR 5233CO 0.00 0.21 0.45 -0.03 0.37 0.00 0.00 175.52 176.52 2rj3 h MET 5234N 0.69 0.84 0.40 6.66 1.85 -1.94 -2.07 114.93 121.35 2rj3 h MET 5234Ca 0.18 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.20 2rj3 h MET 5234Cb 0.10 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 31.94 2rj3 h MET 5234CO -0.02 0.55 -0.19 -0.22 -0.40 0.00 0.00 176.91 176.62 2rj3 h LYS 5235N 0.86 -0.52 -0.16 0.39 3.64 -1.78 -2.27 116.57 116.73 2rj3 h LYS 5235Ca 0.26 0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.56 2rj3 h LYS 5235Cb -0.02 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2rj3 h LYS 5235CO -0.06 -0.24 -0.41 -0.56 -2.27 0.00 0.00 179.45 175.90 2rj3 h GLN 5236N -0.76 0.35 -0.16 1.90 3.07 -1.36 -2.52 115.11 115.63 2rj3 h GLN 5236Ca -0.06 -0.17 -0.05 0.00 0.09 0.00 0.00 58.65 58.46 2rj3 h GLN 5236Cb 0.52 -0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.08 2rj3 h GLN 5236CO 0.09 0.71 -0.10 1.15 0.09 0.00 0.00 178.83 180.77 2rj3 h THR 5237N 0.30 1.32 -0.47 1.86 2.02 -1.44 -2.79 112.91 113.71 2rj3 h THR 5237Ca 0.03 -1.18 0.03 0.00 0.77 0.00 0.00 66.41 66.06 2rj3 h THR 5237Cb 0.85 1.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.97 2rj3 h THR 5237CO 0.07 0.35 0.26 -0.08 0.37 0.00 0.00 175.52 176.49 2rj3 h GLU 5238N 0.02 0.50 -1.01 6.66 4.81 -1.40 -2.72 114.58 121.45 2rj3 h GLU 5238Ca 0.03 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2rj3 h GLU 5238Cb 0.59 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 2rj3 h GLU 5238CO 0.03 0.33 0.65 0.77 -0.73 0.00 0.00 179.01 180.06 2rj3 h SER 5239N 0.51 1.06 -0.39 1.04 0.02 -1.42 -0.72 113.55 113.65 2rj3 h SER 5239Ca 0.20 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.00 2rj3 h SER 5239Cb 0.06 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2rj3 h SER 5239CO -0.11 0.69 -0.33 0.45 -1.14 0.00 0.00 176.83 176.39 2rj3 h HIS 5240N 1.21 1.08 -0.34 3.45 3.86 -1.30 -2.30 115.15 120.81 2rj3 h HIS 5240Ca 0.42 -0.31 -0.15 0.00 -1.16 0.00 0.00 60.37 59.17 2rj3 h HIS 5240Cb 0.12 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 2rj3 h HIS 5240CO -0.00 1.13 -0.38 0.00 0.86 0.00 0.00 177.93 179.54 2rj3 h ALA 5241N 0.78 0.68 -0.80 2.45 0.00 -1.17 -2.06 119.26 119.15 2rj3 h ALA 5241Ca 0.07 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2rj3 h ALA 5241Cb 0.92 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2rj3 h ALA 5241CO 0.08 0.67 0.38 0.28 0.00 0.00 0.00 179.25 180.66 2rj3 h VAL 5242N 0.67 1.25 -0.74 0.00 2.07 -1.13 0.04 116.25 118.41 2rj3 h VAL 5242Ca 0.06 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 2rj3 h VAL 5242Cb 0.94 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2rj3 h VAL 5242CO 0.09 0.30 0.24 0.50 0.02 0.00 0.00 177.57 178.71 2rj3 h LYS 5243N 1.13 1.16 -0.28 1.57 3.64 -1.33 -2.62 116.57 119.83 2rj3 h LYS 5243Ca 0.27 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2rj3 h LYS 5243Cb 0.13 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2rj3 h LYS 5243CO -0.03 0.98 0.09 0.82 -2.27 0.00 0.00 179.45 179.04 2rj3 h ILE 5244N 1.11 1.19 -0.07 2.00 2.04 -0.73 -1.11 117.51 121.94 2rj3 h ILE 5244Ca 0.24 -0.61 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 2rj3 h ILE 5244Cb 0.30 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2rj3 h ILE 5244CO -0.01 0.20 -0.36 1.62 0.00 0.00 0.00 178.15 179.60 2rj3 h VAL 5245N 0.29 1.28 -0.02 1.67 3.04 -0.96 0.81 116.25 122.37 2rj3 h VAL 5245Ca 0.09 -1.35 -0.21 0.00 -1.01 0.00 0.00 66.70 64.22 2rj3 h VAL 5245Cb 0.23 1.64 0.02 0.00 -2.01 0.00 0.00 31.29 31.16 2rj3 h VAL 5245CO -0.00 0.40 -0.82 0.58 -1.01 0.00 0.00 177.57 176.71 2rj3 h VAL 5246N 0.12 1.34 -0.64 1.51 2.07 -1.40 -1.50 116.25 117.74 2rj3 h VAL 5246Ca 0.01 -2.14 -0.05 0.00 0.82 0.00 0.00 66.70 65.35 2rj3 h VAL 5246Cb 0.70 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 2rj3 h VAL 5246CO 0.05 0.65 0.21 -0.08 0.02 0.00 0.00 177.57 178.42 2rj3 h GLU 5247N 0.18 0.97 -0.46 1.57 4.57 -0.94 -1.72 114.58 118.77 2rj3 h GLU 5247Ca -0.10 -0.19 -0.07 0.00 -1.18 0.00 0.00 59.36 57.82 2rj3 h GLU 5247Cb 1.49 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.91 2rj3 h GLU 5247CO 0.16 0.83 0.00 0.00 -1.18 0.00 0.00 179.01 178.82 2rj3 h ALA 5248N 1.28 0.61 -0.87 2.92 0.00 -0.86 -3.06 119.26 119.28 2rj3 h ALA 5248Ca 0.21 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2rj3 h ALA 5248Cb 0.26 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2rj3 h ALA 5248CO -0.01 0.41 0.54 0.00 0.00 0.00 0.00 179.25 180.19 2rj3 h ALA 5249N 0.91 1.20 -0.91 0.00 0.00 -0.92 -1.67 119.26 117.88 2rj3 h ALA 5249Ca 0.13 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.19 2rj3 h ALA 5249Cb 0.49 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 2rj3 h ALA 5249CO 0.02 0.30 0.50 -0.09 0.00 0.00 0.00 179.25 179.98 2rj3 h ARG 5250N 1.00 0.66 0.00 0.00 2.43 -1.22 -0.03 114.38 117.22 2rj3 h ARG 5250Ca 0.38 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 2rj3 h ARG 5250Cb 0.16 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2rj3 h ARG 5250CO -0.17 0.44 0.00 0.54 -1.51 0.00 0.00 179.97 179.27 2rj3 n ARG 5251N -4.83 0.09 0.00 0.20 1.74 -0.63 -3.60 116.66 109.63 2rj3 n ARG 5251Ca 0.19 0.15 0.05 0.00 -0.77 0.00 0.00 57.85 57.47 2rj3 n ARG 5251Cb 0.48 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.43 2rj3 n ARG 5251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2rj3 n LEU 5252N -1.43 1.34 0.00 0.55 4.77 -0.04 -5.04 117.00 117.15 2rj3 n LEU 5252Ca 0.06 -0.83 0.08 0.00 -0.03 0.00 0.00 56.01 55.28 2rj3 n LEU 5252Cb 0.20 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.75 2rj3 n LEU 5252CO 0.17 0.27 0.67 0.18 -1.33 0.00 0.00 177.39 177.34